data_2g9j_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 2g9j _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 ' C' C ' 270' ' ' ILE . . . . . 0.528 ' O ' HD11 ' C' ' 270' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 22.6 t -64.12 -46.76 82.72 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.36 -37.42 80.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.843 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 273' ' ' GLU . . . . . 0.568 ' CD ' ' HA2' ' B' ' 0' ' ' GLY . 17.0 tp10 -62.42 -63.33 1.26 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.065 -178.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 274' ' ' LEU . . . . . 0.464 HD13 ' N ' ' C' ' 275' ' ' ASP . 4.4 pp -55.07 -36.32 65.48 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.139 0.274 . . . . 0.0 111.149 -175.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 275' ' ' ASP . . . . . 0.464 ' N ' HD13 ' C' ' 274' ' ' LEU . 24.8 t70 -60.07 -59.43 5.43 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.808 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -74.75 -30.94 61.65 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.002 -176.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -57.94 -43.29 86.25 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.965 0.412 . . . . 0.0 111.193 -177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 278' ' ' LEU . . . . . 0.547 HD21 ' SD ' ' A' ' 1' ' ' MET . 4.1 mm? -83.62 -31.53 26.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.77 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -68.65 -38.03 80.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.178 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.83 -38.54 72.78 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.243 0.544 . . . . 0.0 110.674 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 281' ' ' MET . . . . . 0.779 ' HE3' HD12 ' B' ' 4' ' ' ILE . 13.8 mtm -94.35 49.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.153 -175.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 9.7 t -62.1 -3.4 1.25 Allowed 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.15 0.5 . . . . 0.0 110.885 172.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 283' ' ' SER . . . . . 0.426 ' H ' ' C ' ' C' ' 281' ' ' MET . 20.0 m -116.75 24.1 11.5 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.738 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 284' ' ' ILE . . . . . 0.641 HG23 ' O ' ' C' ' 281' ' ' MET . 6.1 tt . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.258 -0.877 . . . . 0.0 109.709 172.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.547 ' SD ' HD21 ' C' ' 278' ' ' LEU . 50.8 ttm -136.91 99.47 4.03 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -57.06 -47.46 80.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.74 -170.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.527 ' HB1' ' HG ' ' C' ' 278' ' ' LEU . . . -49.67 -64.16 0.89 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.262 -174.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.634 HG13 ' HE3' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -65.07 -42.46 94.56 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.522 -177.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.634 ' HE3' HG13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -60.81 -51.74 68.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.219 0.533 . . . . 0.0 111.616 -177.095 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -71.79 -40.13 69.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.211 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.589 ' HD3' HG22 ' C' ' 284' ' ' ILE . 32.9 tttm -76.02 -28.09 57.6 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.613 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.63 ' SD ' ' HG2' ' D' ' 281' ' ' MET . 7.0 ptt? -68.24 -28.54 67.31 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.507 ' O ' HD21 ' A' ' 13' ' ' LEU . 61.3 tt0 -62.85 -46.45 87.86 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.3 ttt -58.33 -47.88 82.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.298 0.57 . . . . 0.0 109.942 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.587 ' HB3' ' HA ' ' A' ' 8' ' ' MET . 25.7 tp -53.09 -54.77 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.639 177.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.468 ' HD3' ' HA ' ' A' ' 12' ' ' LYS . 45.1 mmtt -57.64 -38.92 75.84 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -177.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.507 HD21 ' O ' ' A' ' 9' ' ' GLN . 4.2 mm? -64.04 -35.44 80.73 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.773 178.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.591 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 28.2 t70 -69.03 -45.64 69.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.073 0.463 . . . . 0.0 109.917 174.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -59.82 -41.0 90.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.24 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -60.5 -48.42 81.85 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.675 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.591 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 12.0 p80 -65.47 -27.87 68.81 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.005 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.77 -57.74 4.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.904 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.58 ' HA ' HG12 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -68.46 -30.8 69.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.201 -175.14 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -69.23 -42.39 75.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.917 0.389 . . . . 0.0 109.982 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 42.8 tt0 -64.19 -52.3 59.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.374 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.658 HG22 ' HE3' ' A' ' 26' ' ' LYS . 9.1 p -63.31 -34.89 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.394 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.8 -53.29 49.28 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.774 0.321 . . . . 0.0 110.795 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.1 mtm105 -65.42 -36.14 83.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.202 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.639 HD12 HG23 ' B' ' 29' ' ' VAL . 15.1 tp -63.46 -53.3 54.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.866 -177.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.658 ' HE3' HG22 ' A' ' 22' ' ' VAL . 18.0 ptpt -69.93 -26.18 64.02 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.873 -176.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.16 -41.04 77.78 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 174.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 45.2 tp -71.71 -40.85 69.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.217 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.637 ' CG2' HG22 ' B' ' 29' ' ' VAL . 21.3 t -70.87 -27.58 30.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 122.002 -0.436 . . . . 0.0 110.001 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.36 -29.84 59.48 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.648 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 12.3 pt-20 . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.441 . . . . 0.0 110.226 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 270' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.443 0.163 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 65.5 p -70.3 -40.38 74.28 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.523 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -64.46 -41.13 96.69 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.05 0.453 . . . . 0.0 110.248 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.31 -53.6 54.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.773 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 274' ' ' LEU . . . . . . . . . . . . . 10.9 mp -70.4 -33.72 71.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.462 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 275' ' ' ASP . . . . . 0.548 ' O ' ' HB2' ' D' ' 279' ' ' LYS . 27.4 t70 -58.98 -49.65 77.06 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 174.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -64.99 -32.63 74.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.51 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.68 92.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.388 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 278' ' ' LEU . . . . . 0.632 HD12 ' HB ' ' B' ' 4' ' ' ILE . 3.8 mm? -85.74 -28.43 24.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.726 0.298 . . . . 0.0 110.86 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 279' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' D' ' 275' ' ' ASP . 2.1 tptm -63.0 -31.82 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.632 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -47.1 -62.95 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.783 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 281' ' ' MET . . . . . 0.63 ' HG2' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -92.02 -49.74 6.06 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.319 -177.108 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 282' ' ' THR . . . . . 0.517 HG23 ' O ' ' D' ' 281' ' ' MET . 0.7 OUTLIER 58.64 -8.46 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.031 1.333 . . . . 0.0 113.592 -178.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 283' ' ' SER . . . . . 0.504 ' H ' ' C ' ' D' ' 281' ' ' MET . 46.2 m -135.17 76.0 1.6 Allowed 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.991 -0.443 . . . . 0.0 110.653 176.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 284' ' ' ILE . . . . . 0.852 HG12 ' HD2' ' B' ' 7' ' ' LYS . 31.5 pt . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.734 171.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . 0.568 ' HA2' ' CD ' ' C' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.439 ' O ' ' HD2' ' B' ' 5' ' ' LYS . 46.9 tpp -74.79 88.1 2.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -48.33 -41.28 27.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.347 -171.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.533 ' HB3' ' HG ' ' D' ' 278' ' ' LEU . . . -52.76 -71.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -176.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.779 HD12 ' HE3' ' C' ' 281' ' ' MET . 0.6 OUTLIER -72.27 -30.91 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -175.298 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' B' ' 5' ' ' LYS . 0.2 OUTLIER -54.99 -58.34 8.02 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.469 0.652 . . . . 0.0 110.433 177.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -71.38 -32.6 68.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.624 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.852 ' HD2' HG12 ' D' ' 284' ' ' ILE . 19.4 ttmm -70.95 -34.55 71.57 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.509 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.423 ' O ' ' HB3' ' B' ' 11' ' ' LEU . 32.3 ttp -66.51 -38.71 87.81 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.954 0.407 . . . . 0.0 110.019 176.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.527 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 62.0 tt0 -59.83 -51.53 69.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 48.4 ttm -57.83 -42.24 83.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.623 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.423 ' HB3' ' O ' ' B' ' 8' ' ' MET . 8.0 tp -52.49 -63.36 1.17 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.389 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' B' ' 16' ' ' TYR . 24.5 mtmt -72.58 -25.72 61.45 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -173.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 72.2 mt -61.5 -43.28 99.14 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.783 173.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.578 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 35.4 t70 -68.71 -49.18 60.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.604 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -67.21 -29.35 68.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.471 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.69 ' HA ' ' HG2' ' B' ' 19' ' ' GLU . 2.4 m-85 -69.44 -40.06 77.43 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.421 177.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.578 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 7.3 p80 -70.7 -24.99 62.76 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.57 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tt -73.63 -49.14 27.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.988 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.69 ' HG2' ' HA ' ' B' ' 16' ' ' TYR . 7.9 pt-20 -66.56 -33.39 75.57 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-O 120.725 0.298 . . . . 0.0 110.593 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -65.43 -43.88 89.1 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.245 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.25 -53.79 47.42 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.317 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.69 HG13 ' HA ' ' B' ' 19' ' ' GLU . 9.8 p -62.24 -32.35 54.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -175.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.9 -47.11 69.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.972 0.415 . . . . 0.0 110.698 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -72.34 -29.63 63.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.658 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.582 ' O ' HG21 ' B' ' 29' ' ' VAL . 61.8 tp -69.28 -48.03 62.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.015 177.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.552 ' HA ' HG21 ' B' ' 29' ' ' VAL . 17.2 ptpt -66.29 -26.18 67.21 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.93 0.395 . . . . 0.0 110.317 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -64.48 -44.3 91.42 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 2.4 mm? -64.31 -29.73 70.8 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.015 176.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.639 HG23 HD12 ' A' ' 25' ' ' LEU . 17.4 t -65.63 -33.55 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 175.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.75 -26.09 72.3 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.541 173.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' B' ' 28' ' ' LEU . 0.4 OUTLIER -73.57 -34.87 65.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.627 0.251 . . . . 0.0 111.15 176.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' B' ' 28' ' ' LEU . 12.0 ptm180 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.42 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 270' ' ' ILE . . . . . . . . . . . . . 10.0 tt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.813 0.34 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 271' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' C' ' 275' ' ' ASP . 47.1 t -65.46 -47.36 76.4 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -50.89 -45.67 60.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.99 0.424 . . . . 0.0 110.214 175.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.87 -58.33 7.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.363 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 274' ' ' LEU . . . . . 0.709 HD12 ' HE1' ' A' ' 1' ' ' MET . 92.7 mt -67.73 -45.97 73.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.791 -174.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 275' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' C' ' 271' ' ' SER . 1.1 m-20 -57.53 -54.61 44.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.81 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -59.78 -41.13 90.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.677 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 277' ' ' ALA . . . . . 0.516 ' O ' ' HB2' ' C' ' 280' ' ' ASP . . . -62.66 -50.16 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.768 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 278' ' ' LEU . . . . . 0.703 HD11 ' HB ' ' A' ' 4' ' ' ILE . 3.8 mm? -77.21 -18.32 57.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.629 0.252 . . . . 0.0 111.625 -175.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 279' ' ' LYS . . . . . 0.585 ' HB3' ' HZ2' ' C' ' 279' ' ' LYS . 10.2 mtpm? -86.05 -19.0 30.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.002 173.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 280' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' C' ' 277' ' ' ALA . 0.3 OUTLIER -53.06 -63.54 1.11 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -175.656 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 281' ' ' MET . . . . . 0.484 ' C ' ' HG1' ' C' ' 282' ' ' THR . 0.0 OUTLIER -70.08 -25.51 63.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.749 -172.634 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 282' ' ' THR . . . . . 0.484 ' HG1' ' C ' ' C' ' 281' ' ' MET . 17.9 p 54.99 -69.73 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.144 0.978 . . . . 0.0 112.879 -173.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 24.7 t -74.4 81.76 1.91 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.514 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 284' ' ' ILE . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.556 -0.735 . . . . 0.0 109.596 173.491 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.94 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.709 ' HE1' HD12 ' C' ' 274' ' ' LEU . 30.9 tpp -96.76 29.6 2.95 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.445 0.641 . . . . 0.0 109.709 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.06 -19.85 14.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.098 -0.956 . . . . 0.0 112.751 -171.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.47 -58.57 6.95 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.157 0.503 . . . . 0.0 110.984 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.703 ' HB ' HD11 ' C' ' 278' ' ' LEU . 0.7 OUTLIER -78.44 -38.52 22.77 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.698 178.652 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.894 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 7.5 mmpt? -60.52 -43.26 97.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.849 0.357 . . . . 0.0 111.113 -175.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -69.78 -47.66 62.09 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.904 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -63.96 -29.08 70.28 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.735 178.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.629 ' SD ' ' HE2' ' D' ' 281' ' ' MET . 48.7 ttp -61.41 -45.5 94.05 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.666 176.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -56.44 -47.3 79.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.494 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -67.66 -33.12 74.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.589 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.473 HD23 HD21 ' B' ' 11' ' ' LEU . 28.9 tp -61.75 -45.94 91.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.942 175.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 8' ' ' MET . 29.9 mtpp -63.37 -40.96 98.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.942 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.37 -39.96 84.95 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.163 0.506 . . . . 0.0 110.171 174.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.948 ' HA ' ' HD2' ' A' ' 17' ' ' HIS . 29.6 t70 -67.43 -50.22 60.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.885 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.39 -33.77 75.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.272 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -83.59 -27.89 28.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.324 0.491 . . . . 0.0 112.324 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.948 ' HD2' ' HA ' ' A' ' 14' ' ' ASP . 1.4 p80 -73.44 -28.72 62.12 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 119.376 -0.93 . . . . 0.0 108.85 173.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.4 tp -75.04 -38.25 61.5 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 174.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -59.09 -49.18 78.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.14 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -69.86 -33.87 72.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.364 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -58.24 -58.51 8.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.331 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.46 ' HB ' HG23 ' B' ' 22' ' ' VAL . 11.0 p -64.8 -30.8 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.451 -177.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.43 71.65 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.896 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -65.44 -41.48 93.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.075 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.66 -48.51 79.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.324 -176.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -67.85 -30.2 69.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.829 0.347 . . . . 0.0 110.373 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.576 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 23.1 ttpp -79.68 -21.29 44.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.186 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.0 tp -76.92 -36.98 56.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 110.314 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.431 ' HB ' HG22 ' B' ' 29' ' ' VAL . 8.5 p -83.1 -29.61 8.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.027 175.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.29 -18.88 78.94 Favored Glycine 0 CA--C 1.519 0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.009 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.576 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 4.1 tp10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.333 0.587 . . . . 0.0 110.124 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 270' ' ' ILE . . . . . 0.468 HD11 HD21 ' D' ' 274' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 271' ' ' SER . . . . . 0.524 ' O ' ' HG ' ' D' ' 274' ' ' LEU . 50.6 m -65.21 -49.69 68.75 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.148 0.499 . . . . 0.0 110.482 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.35 -42.57 99.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.003 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -65.7 -44.95 84.61 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.22 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 274' ' ' LEU . . . . . 0.822 HD13 ' HE1' ' B' ' 1' ' ' MET . 3.8 pp -61.86 -42.48 99.11 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.809 -174.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -68.1 -45.47 73.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.232 0.539 . . . . 0.0 110.206 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -66.68 -50.88 61.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.098 -176.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 277' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' D' ' 281' ' ' MET . . . -64.01 -35.17 79.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.607 -174.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 278' ' ' LEU . . . . . 0.566 HD11 ' SD ' ' D' ' 281' ' ' MET . 4.1 mm? -74.99 -29.08 60.79 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.883 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -75.16 -35.35 61.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.236 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -56.51 -51.78 67.23 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.864 0.84 . . . . 0.0 110.171 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 281' ' ' MET . . . . . 0.629 ' HE2' ' SD ' ' A' ' 8' ' ' MET . 14.5 ptm -82.89 41.95 0.77 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.945 -172.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 282' ' ' THR . . . . . 0.467 ' HA ' ' HZ3' ' B' ' 7' ' ' LYS . 14.2 t -60.54 -12.12 8.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.847 0.356 . . . . 0.0 110.704 175.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 24.6 m -89.94 13.08 15.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.076 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 284' ' ' ILE . . . . . 0.59 HG21 ' O ' ' D' ' 281' ' ' MET . 7.2 tt . . . . . 0 C--O 1.246 0.908 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 173.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.873 0 N-CA-C 111.852 -0.499 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.822 ' HE1' HD13 ' D' ' 274' ' ' LEU . 50.5 tpp -120.16 90.17 3.27 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -77.1 -23.78 51.82 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.606 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.66 -65.54 0.54 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.912 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.703 ' HB ' HD13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -62.04 -46.87 95.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.616 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.595 178.152 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.522 ' HD3' HG13 ' B' ' 4' ' ' ILE . 20.7 mmtp -60.29 -45.78 92.16 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -172.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.88 -43.36 68.54 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.184 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.467 ' HZ3' ' HA ' ' D' ' 282' ' ' THR . 38.1 mtpt -72.94 -34.33 66.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.966 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.645 ' HE2' ' HG3' ' B' ' 12' ' ' LYS . 1.1 tmt? -65.21 -34.47 78.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.511 175.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.454 ' O ' HD21 ' B' ' 13' ' ' LEU . 53.2 tt0 -62.2 -46.81 87.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 26.6 ttt -62.38 -41.69 98.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.134 0.493 . . . . 0.0 109.887 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.536 ' HB3' ' HA ' ' B' ' 8' ' ' MET . 15.8 tp -54.13 -48.66 70.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.078 175.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.968 ' HE2' ' HA ' ' B' ' 12' ' ' LYS . 9.2 mmpt? -66.61 -33.05 74.8 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.36 -177.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.454 HD21 ' O ' ' B' ' 9' ' ' GLN . 4.0 mm? -64.9 -40.87 95.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.953 0.406 . . . . 0.0 110.223 175.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.702 ' HA ' ' HD2' ' B' ' 17' ' ' HIS . 1.2 t70 -70.45 -44.24 68.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.458 0.646 . . . . 0.0 109.789 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -40.57 89.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.732 177.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -66.21 -45.41 80.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.46 -177.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.702 ' HD2' ' HA ' ' B' ' 14' ' ' ASP . 12.2 p80 -66.99 -28.19 68.05 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 119.832 -0.747 . . . . 0.0 109.948 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.5 ' O ' HG22 ' B' ' 22' ' ' VAL . 96.9 mt -70.39 -52.62 21.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.334 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.36 -41.3 88.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.56 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -57.39 -47.76 80.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.603 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -62.35 -44.52 96.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.232 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.5 HG22 ' O ' ' B' ' 18' ' ' LEU . 83.9 t -61.24 -48.68 87.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.888 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.24 91.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.948 0.404 . . . . 0.0 111.315 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 80.8 mmt-85 -63.98 -40.59 96.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 tp -73.19 -35.71 66.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.827 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -56.91 -49.76 74.63 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.948 0.404 . . . . 0.0 110.788 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -69.8 -30.89 68.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.739 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.28 -46.51 70.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.053 0.454 . . . . 0.0 110.636 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.431 HG22 ' HB ' ' A' ' 29' ' ' VAL . 87.7 t -70.37 -35.04 60.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.726 178.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.86 -32.28 77.26 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.052 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.89 -42.96 99.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.368 0.604 . . . . 0.0 111.475 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.809 -171.919 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 270' ' ' ILE . . . . . 0.735 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 10.4 tt . . . . . 0 C--O 1.224 -0.281 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 23.0 t -60.5 -46.98 88.14 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.781 0.324 . . . . 0.0 110.325 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.03 -39.29 89.22 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.433 176.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 273' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' C' ' 276' ' ' HIS . 28.7 tt0 -66.95 -34.98 78.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.721 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 274' ' ' LEU . . . . . 0.735 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 31.6 mt -69.56 -41.96 75.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.787 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -58.52 -45.88 87.92 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 276' ' ' HIS . . . . . 0.449 ' HB3' ' O ' ' C' ' 273' ' ' GLU . 22.7 t-80 -50.78 -55.48 16.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.177 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 277' ' ' ALA . . . . . 0.49 ' HB2' ' HD2' ' B' ' 5' ' ' LYS . . . -51.06 -52.78 39.87 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.448 -0.796 . . . . 0.0 113.118 -174.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 278' ' ' LEU . . . . . 0.543 ' HG ' ' HB1' ' A' ' 3' ' ' ALA . 2.4 mm? -75.75 -37.09 59.62 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.125 -175.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -68.98 -19.85 64.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.649 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -60.71 -28.62 68.79 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.649 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 281' ' ' MET . . . . . 0.458 ' SD ' ' N ' ' C' ' 282' ' ' THR . 0.0 OUTLIER -109.43 -78.4 0.59 Allowed 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.191 -173.701 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 282' ' ' THR . . . . . 0.458 ' N ' ' SD ' ' C' ' 281' ' ' MET . 23.5 m 66.75 -0.98 1.45 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.832 0.825 . . . . 0.0 110.436 -173.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 283' ' ' SER . . . . . 0.425 ' H ' ' C ' ' C' ' 281' ' ' MET . 22.8 t -151.1 60.48 0.91 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.082 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 284' ' ' ILE . . . . . 0.634 HG23 ' HG3' ' B' ' 8' ' ' MET . 13.8 pt . . . . . 0 C--O 1.251 1.153 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.179 170.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.526 ' CE ' HD11 ' C' ' 274' ' ' LEU . 23.5 mmt -92.75 82.53 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.208 0.528 . . . . 0.0 109.945 -178.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.66 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 8.6 p-10 -67.51 -19.86 65.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.481 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.543 ' HB1' ' HG ' ' C' ' 278' ' ' LEU . . . -54.51 -64.63 0.77 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.384 175.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.973 HD12 ' HB ' ' B' ' 4' ' ' ILE . 0.2 OUTLIER -64.5 -37.92 81.27 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.723 176.396 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.66 ' HB2' ' HA ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -57.23 -52.62 64.57 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -176.158 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -78.62 -29.92 46.23 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.042 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -37.25 86.46 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 173.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.8 ttp -62.54 -38.94 91.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.297 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -57.5 -52.24 66.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.103 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.1 ttt -65.15 -39.09 92.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.607 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.837 HD12 HD23 ' B' ' 11' ' ' LEU . 9.4 tt -57.36 -54.33 48.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.733 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -65.2 -34.52 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.909 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.81 -46.79 81.4 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.98 -37.27 83.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.756 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -49.62 71.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -62.9 -37.83 88.51 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.232 0.539 . . . . 0.0 109.861 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -57.52 -53.8 54.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.842 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.15 -57.36 8.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.246 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -48.99 -50.7 34.58 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.448 0.467 . . . . 0.0 111.644 -175.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.479 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 45.1 t30 -68.15 -46.45 70.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.49 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -65.49 -41.77 92.89 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.198 0.523 . . . . 0.0 110.512 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.614 HG12 HG11 ' B' ' 22' ' ' VAL . 74.2 t -66.16 -34.86 73.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.594 178.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.9 83.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.199 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 60.9 mtp180 -69.7 -34.93 74.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.612 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.31 -49.08 68.25 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.577 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.52 ' HE3' HG11 ' A' ' 22' ' ' VAL . 17.1 ptpt -73.03 -19.09 61.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.51 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 46.6 tttp -71.13 -39.45 71.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.173 171.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.32 -52.92 63.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.034 0.445 . . . . 0.0 110.76 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 p -77.53 -25.39 14.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.012 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.0 -17.74 66.73 Favored Glycine 0 C--O 1.229 -0.206 0 CA-C-N 115.913 -0.585 . . . . 0.0 113.129 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 6.1 tp10 . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 121.091 0.472 . . . . 0.0 110.534 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 270' ' ' ILE . . . . . . . . . . . . . 11.8 tt . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 120.703 0.287 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 28.8 t -70.11 -35.81 74.4 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -66.18 -47.37 74.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.087 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -59.3 -58.46 8.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.204 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 274' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.92 -46.81 86.05 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -174.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.03 -51.61 68.59 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.911 0.386 . . . . 0.0 110.05 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 276' ' ' HIS . . . . . 0.46 ' O ' ' HB2' ' D' ' 280' ' ' ASP . 2.0 t-80 -65.53 -40.37 92.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.855 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -69.65 -37.72 76.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -174.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 278' ' ' LEU . . . . . 0.531 ' HG ' ' SD ' ' B' ' 1' ' ' MET . 4.3 mm? -85.29 -24.07 27.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.878 0.37 . . . . 0.0 111.294 -177.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 279' ' ' LYS . . . . . 0.405 ' HB2' ' HE3' ' D' ' 279' ' ' LYS . 29.2 ttmt -85.55 -19.07 31.67 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.571 0.701 . . . . 0.0 109.7 176.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 280' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' D' ' 276' ' ' HIS . 5.9 t70 -54.63 -46.51 73.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.938 -173.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 281' ' ' MET . . . . . 0.552 ' HG2' ' N ' ' D' ' 282' ' ' THR . 0.0 OUTLIER -89.8 -56.87 3.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.507 -0.477 . . . . 0.0 112.063 -173.632 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 282' ' ' THR . . . . . 0.552 ' N ' ' HG2' ' D' ' 281' ' ' MET . 0.4 OUTLIER 69.63 -32.6 0.23 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.51 0.724 . . . . 0.0 112.17 -174.551 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 283' ' ' SER . . . . . 0.484 ' H ' ' C ' ' D' ' 281' ' ' MET . 14.2 m -88.79 81.8 6.91 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.067 0.46 . . . . 0.0 111.336 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 284' ' ' ILE . . . . . 0.619 HG22 ' NZ ' ' B' ' 7' ' ' LYS . 1.7 tt . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.008 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.531 ' SD ' ' HG ' ' D' ' 278' ' ' LEU . 43.4 tpp -86.42 89.21 7.81 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -60.39 -25.75 66.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.051 -172.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.02 -69.09 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.917 0.389 . . . . 0.0 111.655 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.973 ' HB ' HD12 ' A' ' 4' ' ' ILE . 1.6 tp -72.81 -37.26 54.5 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.483 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.978 ' HE2' ' HA ' ' B' ' 5' ' ' LYS . 10.0 mmpt? -70.59 -47.21 61.31 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -172.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -68.69 -45.13 72.45 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.404 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.619 ' NZ ' HG22 ' D' ' 284' ' ' ILE . 8.0 mtmp? -66.63 -32.1 73.2 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.569 178.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.634 ' HG3' HG23 ' C' ' 284' ' ' ILE . 12.4 ttt -53.23 -47.87 68.65 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.91 0.386 . . . . 0.0 110.77 174.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.421 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 35.2 tt0 -59.4 -50.61 73.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.507 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 23.7 ttt -59.62 -46.88 87.67 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.198 0.523 . . . . 0.0 110.61 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.837 HD23 HD12 ' A' ' 11' ' ' LEU . 7.2 tp -50.96 -59.16 4.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.946 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -68.25 -28.7 67.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.551 -174.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 83.4 mt -67.92 -41.2 82.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.042 0.449 . . . . 0.0 110.044 174.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.648 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 34.6 t70 -63.93 -50.79 67.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.351 176.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.99 -32.74 74.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.57 -48.94 77.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.044 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.648 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 20.9 p80 -73.34 -23.64 60.26 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.187 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.612 ' O ' HG13 ' B' ' 22' ' ' VAL . 87.2 mt -67.53 -48.92 65.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.534 ' HA ' HG23 ' B' ' 22' ' ' VAL . 34.5 tt0 -61.6 -35.9 79.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.993 0.425 . . . . 0.0 110.008 177.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.64 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 44.6 t-20 -59.64 -48.77 80.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 175.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.35 -53.46 57.08 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.134 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.614 HG11 HG12 ' A' ' 22' ' ' VAL . 3.4 m -66.05 -27.84 42.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.241 -174.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.78 -41.39 83.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.061 0.458 . . . . 0.0 110.226 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.64 ' HG2' ' O ' ' B' ' 20' ' ' ASN . 24.7 mmt180 -70.41 -36.84 74.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.594 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.468 ' O ' HG21 ' B' ' 29' ' ' VAL . 61.1 tp -62.62 -53.74 50.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.208 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -63.06 -34.63 78.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.914 0.388 . . . . 0.0 110.584 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -64.33 -40.48 95.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.624 177.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.7 -44.34 77.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.459 178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.468 HG21 ' O ' ' B' ' 25' ' ' LEU . 88.0 t -62.4 -38.1 80.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.21 -22.81 72.79 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.272 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -71.4 -48.04 52.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.436 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.072 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 270' ' ' ILE . . . . . 0.418 ' O ' HD12 ' C' ' 274' ' ' LEU . 16.0 tt . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 10.4 t -66.81 -34.38 77.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.302 0.572 . . . . 0.0 109.989 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -76.26 -37.36 57.69 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.52 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.6 -40.75 92.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.534 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 274' ' ' LEU . . . . . 0.548 ' O ' HD22 ' C' ' 278' ' ' LEU . 7.9 mp -57.53 -56.8 17.24 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 174.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 275' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' C' ' 279' ' ' LYS . 16.1 t70 -49.26 -47.67 46.48 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.659 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -59.91 -51.77 68.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.217 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -55.98 -40.82 73.84 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -174.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 278' ' ' LEU . . . . . 0.579 HD13 ' HE3' ' C' ' 281' ' ' MET . 0.8 OUTLIER -82.53 -19.34 38.82 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.605 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 279' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' C' ' 275' ' ' ASP . 0.7 OUTLIER -80.72 -27.77 36.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.462 178.132 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -56.31 -18.97 12.32 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.944 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 281' ' ' MET . . . . . 0.844 ' HE2' HG22 ' C' ' 284' ' ' ILE . 23.0 ptt? -128.27 34.7 4.52 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.454 -168.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 2.9 p -57.6 78.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.555 0.693 . . . . 0.0 112.633 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 283' ' ' SER . . . . . 0.41 ' N ' ' O ' ' C' ' 281' ' ' MET . 50.4 m -163.82 -36.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 284' ' ' ILE . . . . . 0.844 HG22 ' HE2' ' C' ' 281' ' ' MET . 8.0 tt . . . . . 0 C--O 1.252 1.225 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.331 174.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . 0.582 ' HA2' ' CD ' ' D' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 112.258 -0.337 . . . . 0.0 112.258 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp -81.54 73.83 8.56 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 36.2 m-20 -57.61 -32.64 67.41 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.693 -175.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.2 -66.81 0.35 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.515 0.509 . . . . 0.0 111.582 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.482 HG21 ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -79.65 -36.98 17.95 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.493 -178.693 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.855 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -59.02 -48.68 80.71 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.655 0.264 . . . . 0.0 111.447 -177.17 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 0.7 OUTLIER -72.9 -42.77 63.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.384 -178.353 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HE2' HG23 ' C' ' 284' ' ' ILE . 32.6 mtmm -70.76 -28.68 64.87 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 119.906 -0.717 . . . . 0.0 110.823 178.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.643 ' HG3' HD12 ' D' ' 284' ' ' ILE . 47.0 ttp -60.01 -44.47 94.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.866 0.365 . . . . 0.0 110.127 173.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.436 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 63.2 tt0 -60.52 -46.8 88.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.181 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -61.02 -46.25 91.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.169 177.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.884 HD23 HD22 ' B' ' 11' ' ' LEU . 15.7 tp -54.55 -53.09 59.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.307 176.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -65.47 -31.89 73.21 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.038 -177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 9' ' ' GLN . 90.3 mt -70.43 -38.77 74.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.975 0.417 . . . . 0.0 110.136 175.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.737 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 27.2 t70 -64.77 -48.86 72.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.825 176.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -35.96 80.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.218 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -64.22 -50.01 69.69 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.737 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 19.4 p80 -67.01 -26.02 66.58 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 119.876 -0.729 . . . . 0.0 110.328 -177.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.621 ' O ' HG21 ' A' ' 22' ' ' VAL . 94.0 mt -69.91 -61.98 1.56 Allowed 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -55.41 -38.96 69.61 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.065 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -64.33 -45.06 89.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.553 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.28 -37.21 86.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.208 0.528 . . . . 0.0 109.592 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.621 HG21 ' O ' ' A' ' 18' ' ' LEU . 47.7 t -65.72 -40.5 87.99 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.286 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.211 175.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.585 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . . . -61.68 -41.09 97.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.001 0.429 . . . . 0.0 110.249 176.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -60.61 -46.91 88.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.979 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.434 HD13 HG13 ' B' ' 29' ' ' VAL . 1.4 tm? -67.5 -46.26 73.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.751 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.633 ' HA ' HG13 ' A' ' 29' ' ' VAL . 18.1 ptpt -66.27 -30.06 70.41 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-O 120.685 0.278 . . . . 0.0 111.118 -176.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -73.82 -36.6 64.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.338 0.59 . . . . 0.0 109.658 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.58 -46.07 67.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.183 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.705 HG11 HD13 ' B' ' 25' ' ' LEU . 9.1 p -76.02 -23.4 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.991 0.424 . . . . 0.0 110.694 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.71 -44.04 72.54 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.219 175.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.218 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 270' ' ' ILE . . . . . 0.462 HD11 HD22 ' C' ' 274' ' ' LEU . 11.9 tt . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 120.402 0.144 . . . . 0.0 111.361 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 11.7 p -69.98 -38.47 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.779 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 272' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' D' ' 275' ' ' ASP . 34.5 tp10 -63.94 -40.52 96.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.07 0.462 . . . . 0.0 109.758 172.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 273' ' ' GLU . . . . . 0.582 ' CD ' ' HA2' ' A' ' 0' ' ' GLY . 11.2 tp10 -62.51 -52.27 64.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.089 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 274' ' ' LEU . . . . . 0.459 HD11 ' HE3' ' B' ' 1' ' ' MET . 4.6 pp -63.33 -28.44 70.01 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.803 0.335 . . . . 0.0 110.76 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 275' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' D' ' 279' ' ' LYS . 15.5 t70 -59.64 -53.31 59.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.148 175.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 276' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' D' ' 272' ' ' GLU . 93.9 m-70 -73.08 -28.1 62.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.104 -177.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -63.83 -47.48 80.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.365 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 278' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -85.94 -21.75 27.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.365 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 279' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' D' ' 275' ' ' ASP . 1.7 mptm? -69.34 -31.36 69.74 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.231 0.539 . . . . 0.0 110.051 173.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -47.69 -64.7 0.72 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.49 -1.232 . . . . 0.0 113.211 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 281' ' ' MET . . . . . 0.638 ' HG2' ' N ' ' D' ' 282' ' ' THR . 0.0 OUTLIER -75.26 -57.63 3.78 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.478 -170.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 282' ' ' THR . . . . . 0.638 ' N ' ' HG2' ' D' ' 281' ' ' MET . 1.3 t 49.38 14.19 0.09 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.119 0.968 . . . . 0.0 111.89 -171.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 283' ' ' SER . . . . . 0.401 ' H ' ' C ' ' D' ' 281' ' ' MET . 20.1 m -151.19 69.59 0.95 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.875 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 284' ' ' ILE . . . . . 0.643 HD12 ' HG3' ' A' ' 8' ' ' MET . 10.0 tt . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.05 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.459 ' HE3' HD11 ' D' ' 274' ' ' LEU . 93.8 mmm -76.94 98.21 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.21 -29.93 70.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.431 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.58 -62.66 1.57 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.823 0.344 . . . . 0.0 111.251 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.464 HG12 HG13 ' A' ' 4' ' ' ILE . 1.5 tp -68.53 -35.5 70.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.734 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.766 ' HE2' ' HA ' ' B' ' 5' ' ' LYS . 0.5 OUTLIER -61.71 -52.33 64.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.454 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -69.93 -42.73 72.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.026 0.441 . . . . 0.0 110.922 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.608 ' HB3' ' OXT' ' D' ' 284' ' ' ILE . 19.4 mtmm -64.02 -40.81 97.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.476 ' HA ' ' HB3' ' B' ' 11' ' ' LEU . 12.9 ttp -58.69 -37.15 75.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.736 0.303 . . . . 0.0 110.777 176.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -56.75 -53.87 52.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.065 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 82.7 mtp -66.8 -35.08 79.24 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.52 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.884 HD22 HD23 ' A' ' 11' ' ' LEU . 27.6 tp -57.07 -55.96 27.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.442 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -63.51 -39.92 95.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.714 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.7 mt -59.6 -37.97 79.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.93 0.395 . . . . 0.0 110.331 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.739 ' HA ' ' HD2' ' B' ' 17' ' ' HIS . 22.8 t70 -65.89 -46.46 78.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.101 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.21 -43.48 78.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.066 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -65.46 -43.04 91.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.927 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.739 ' HD2' ' HA ' ' B' ' 14' ' ' ASP . 2.1 p80 -72.97 -29.98 63.48 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.902 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.624 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.0 tm? -60.99 -49.1 78.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 175.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.86 -25.82 68.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.677 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -70.69 -48.38 54.99 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -42.2 93.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.829 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 18' ' ' LEU . 86.3 t -60.38 -49.69 83.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.929 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.93 -45.17 74.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.02 0.438 . . . . 0.0 111.061 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -67.78 -40.57 83.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.559 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.705 HD13 HG11 ' A' ' 29' ' ' VAL . 51.9 tp -67.97 -45.68 73.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.45 -177.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.618 ' HA ' HG12 ' B' ' 29' ' ' VAL . 14.0 ptmm? -71.53 -26.95 62.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.833 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -70.16 -42.19 72.83 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 172.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 tp -60.33 -53.67 54.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.688 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' B' ' 26' ' ' LYS . 10.9 p -64.67 -26.71 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-O 121.013 0.435 . . . . 0.0 110.564 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.72 -25.11 74.83 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.907 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.479 ' HB3' HH11 ' B' ' 32' ' ' ARG . 32.6 tt0 -81.83 -37.28 27.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.392 0.139 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.479 HH11 ' HB3' ' B' ' 31' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.802 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 270' ' ' ILE . . . . . 0.627 HD11 HD11 ' D' ' 270' ' ' ILE . 12.6 tt . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.457 0.17 . . . . 0.0 110.713 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 29.4 t -64.05 -37.22 86.63 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.86 -46.89 88.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.906 173.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -62.75 -46.75 86.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.079 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 274' ' ' LEU . . . . . 1.052 ' HG ' ' HE1' ' B' ' 1' ' ' MET . 8.1 mp -65.54 -34.43 78.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.813 -0.176 . . . . 0.0 110.748 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 275' ' ' ASP . . . . . 0.403 ' CG ' ' HZ2' ' C' ' 279' ' ' LYS . 24.7 t70 -56.33 -48.13 77.37 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.166 0.508 . . . . 0.0 109.823 175.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 276' ' ' HIS . . . . . 0.464 ' HA ' ' HB2' ' C' ' 279' ' ' LYS . 12.0 m170 -74.1 -24.38 59.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.552 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -67.07 -40.54 87.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.906 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 278' ' ' LEU . . . . . 0.64 HD12 ' HB ' ' A' ' 4' ' ' ILE . 2.6 mm? -86.09 -31.93 21.64 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.731 177.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 279' ' ' LYS . . . . . 0.464 ' HB2' ' HA ' ' C' ' 276' ' ' HIS . 36.1 mttp -65.59 -19.19 65.82 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.896 0.379 . . . . 0.0 110.93 173.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -50.89 -47.52 60.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.569 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 281' ' ' MET . . . . . 0.492 ' SD ' ' N ' ' C' ' 282' ' ' THR . 0.0 OUTLIER -110.04 -57.3 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.102 -174.497 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 282' ' ' THR . . . . . 0.492 ' N ' ' SD ' ' C' ' 281' ' ' MET . 57.1 p 49.37 23.09 0.79 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.6 0.76 . . . . 0.0 112.095 -174.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 78.8 p -126.3 8.29 7.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 284' ' ' ILE . . . . . 0.468 ' OXT' ' HE3' ' A' ' 7' ' ' LYS . 10.2 pt . . . . . 0 C--O 1.243 0.728 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.741 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 CA-C-O 119.36 -0.689 . . . . 0.0 113.187 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.526 ' HG2' ' HG3' ' D' ' 273' ' ' GLU . 82.8 mmm -49.36 101.18 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 117.533 0.666 . . . . 0.0 110.775 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -66.84 -34.28 77.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.099 -0.955 . . . . 0.0 113.069 -168.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.493 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -52.13 -67.3 0.26 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -176.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.64 ' HB ' HD12 ' C' ' 278' ' ' LEU . 0.0 OUTLIER -73.31 -33.56 41.26 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.998 -177.097 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.796 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -60.23 -44.7 94.99 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.89 179.207 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -64.25 -52.19 59.93 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.337 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.468 ' HE3' ' OXT' ' C' ' 284' ' ' ILE . 26.6 mtpp -65.61 -38.59 89.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.011 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.427 ' SD ' ' HG3' ' D' ' 281' ' ' MET . 24.7 ttp -57.12 -40.81 77.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.875 178.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.8 -45.12 79.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.264 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.51 -40.02 95.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.449 0.642 . . . . 0.0 110.064 177.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.72 -51.43 69.38 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.648 175.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.827 ' HA ' ' HE3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -62.18 -37.98 87.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.094 -176.537 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 14' ' ' ASP . 4.5 pp -74.28 -30.34 62.05 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.811 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.483 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 26.5 t0 -67.75 -44.1 78.3 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.554 0.692 . . . . 0.0 109.151 174.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -36.11 82.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.428 176.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -61.1 -49.92 75.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.16 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.483 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 22.0 p80 -69.48 -34.96 75.11 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 119.811 -0.755 . . . . 0.0 110.113 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 22' ' ' VAL . 68.1 mt -63.86 -50.2 69.74 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.735 177.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.24 -31.35 68.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.086 0.47 . . . . 0.0 110.374 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.625 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 2.4 t30 -76.16 -46.06 30.44 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -61.7 -38.93 89.67 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.24 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 18' ' ' LEU . 94.4 t -60.87 -49.03 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.2 97.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 20' ' ' ASN . 34.1 mmt180 -63.99 -43.41 95.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.705 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.1 tp -67.5 -39.86 85.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.45 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.27 -34.68 78.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.611 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -36.19 67.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.322 177.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.42 -48.38 75.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.0 p -74.25 -25.11 19.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.451 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.19 -28.56 59.99 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.136 -0.554 . . . . 0.0 111.925 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 121.305 0.574 . . . . 0.0 109.872 176.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 270' ' ' ILE . . . . . 0.627 HD11 HD11 ' C' ' 270' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.396 0 CA-C-O 120.576 0.227 . . . . 0.0 110.419 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 39.2 m -64.33 -46.77 82.07 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.177 0.513 . . . . 0.0 110.334 176.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.79 -36.5 84.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.608 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 273' ' ' GLU . . . . . 0.526 ' HG3' ' HG2' ' A' ' 1' ' ' MET . 10.1 tp10 -57.18 -61.47 2.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.384 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 274' ' ' LEU . . . . . 0.557 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 4.2 pp -58.16 -38.26 76.27 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.806 0.336 . . . . 0.0 111.0 -176.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 275' ' ' ASP . . . . . 0.45 ' N ' HD13 ' D' ' 274' ' ' LEU . 19.8 t70 -63.43 -52.25 62.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 178.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -67.16 -38.07 84.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.969 -176.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.95 88.5 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -175.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 278' ' ' LEU . . . . . 0.503 HD12 ' HE3' ' D' ' 281' ' ' MET . 4.4 mm? -81.79 -27.98 33.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.087 0.47 . . . . 0.0 111.676 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -84.05 -17.9 38.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.979 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -46.0 68.06 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.411 -177.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 281' ' ' MET . . . . . 0.503 ' HE3' HD12 ' D' ' 278' ' ' LEU . 0.0 OUTLIER -94.71 -35.65 12.06 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.236 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 282' ' ' THR . . . . . 0.554 ' O ' ' HE2' ' B' ' 7' ' ' LYS . 62.9 m 70.39 -57.74 0.57 Allowed 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.011 0.819 . . . . 0.0 111.525 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 24.1 m -98.15 75.02 2.28 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.303 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 284' ' ' ILE . . . . . 0.417 HD12 HD12 ' A' ' 4' ' ' ILE . 3.7 tt . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.532 -0.747 . . . . 0.0 109.462 170.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 1.052 ' HE1' ' HG ' ' C' ' 274' ' ' LEU . 75.9 mtm -135.35 98.98 4.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.921 0.391 . . . . 0.0 110.553 176.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -85.48 -19.63 30.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.313 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -45.03 -58.29 3.28 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.658 0.599 . . . . 0.0 111.914 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -49.35 82.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.3 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.404 ' HA ' ' HB3' ' B' ' 8' ' ' MET . 0.0 OUTLIER -67.98 -33.07 73.93 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -173.485 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -71.86 -48.38 46.37 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.554 ' HE2' ' O ' ' D' ' 282' ' ' THR . 17.4 mtpp -69.33 -32.75 72.06 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.404 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 2.6 ttt -55.61 -42.35 74.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.864 172.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -63.14 -43.7 97.61 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 44.7 mtt -62.49 -47.15 85.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.509 0.671 . . . . 0.0 109.747 174.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tp -52.78 -57.72 9.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.218 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -64.31 -40.91 96.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.812 -175.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.79 -38.69 89.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.965 0.412 . . . . 0.0 110.332 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.705 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 17.9 t70 -64.81 -47.02 79.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.997 176.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -38.11 85.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.124 178.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -70.89 -32.16 69.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.705 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 6.8 p80 -77.85 -24.78 48.48 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.408 174.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.555 ' O ' HG22 ' B' ' 22' ' ' VAL . 55.6 mt -69.59 -51.53 34.39 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.592 175.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -30.59 71.69 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.743 0.306 . . . . 0.0 110.585 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -63.26 -46.98 84.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.277 0.56 . . . . 0.0 109.671 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -62.51 -43.98 97.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.647 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.555 HG22 ' O ' ' B' ' 18' ' ' LEU . 87.1 t -56.85 -44.62 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.944 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.89 -45.47 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.7 -27.53 61.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.79 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 44.8 tp -68.88 -49.58 57.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.463 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.545 ' HE3' HG12 ' B' ' 22' ' ' VAL . 18.8 ptpt -70.62 -19.72 62.8 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.944 0.402 . . . . 0.0 110.286 178.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -67.41 -47.67 69.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.467 172.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' B' ' 31' ' ' GLU . 7.6 tt -65.89 -47.4 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.168 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.3 -32.2 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.68 -33.3 86.88 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.569 175.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' B' ' 28' ' ' LEU . 45.5 mm-40 -65.9 -19.49 65.89 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.733 0.413 . . . . 0.0 110.789 174.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' B' ' 28' ' ' LEU . 15.9 mmt180 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.3 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 270' ' ' ILE . . . . . 0.708 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 8.5 tt . . . . . 0 C--O 1.225 -0.211 0 CA-C-O 120.788 0.328 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 42.4 t -64.49 -46.4 83.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.203 0.525 . . . . 0.0 109.632 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -59.98 -42.76 94.88 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.562 172.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 273' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' C' ' 270' ' ' ILE . 11.4 tp10 -55.11 -57.72 10.59 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.01 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 274' ' ' LEU . . . . . 0.755 ' HB3' ' HE1' ' A' ' 1' ' ' MET . 54.1 mt -55.92 -42.08 75.52 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 123.278 0.361 . . . . 0.0 111.237 -175.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 275' ' ' ASP . . . . . 0.608 ' O ' ' HB2' ' C' ' 279' ' ' LYS . 32.8 t70 -58.36 -58.78 6.97 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -71.69 -19.28 62.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.391 -177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.48 80.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.825 0.345 . . . . 0.0 110.496 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 278' ' ' LEU . . . . . 0.566 ' CD1' ' HB ' ' A' ' 4' ' ' ILE . 3.8 mm? -87.68 -25.49 23.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.139 0.495 . . . . 0.0 111.178 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 279' ' ' LYS . . . . . 0.608 ' HB2' ' O ' ' C' ' 275' ' ' ASP . 1.2 tmtm? -66.69 -20.09 65.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.438 0.637 . . . . 0.0 109.533 172.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.72 -39.12 61.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.868 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 281' ' ' MET . . . . . 0.57 ' SD ' ' HE2' ' B' ' 5' ' ' LYS . 0.6 OUTLIER -111.35 -67.05 1.02 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.182 -165.509 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 282' ' ' THR . . . . . 0.512 ' H ' ' HG2' ' C' ' 281' ' ' MET . 40.2 m 71.43 -37.23 0.39 Allowed 'General case' 0 CA--C 1.536 0.411 0 O-C-N 123.362 0.414 . . . . 0.0 111.089 -170.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 283' ' ' SER . . . . . 0.528 ' H ' ' C ' ' C' ' 281' ' ' MET . 7.9 m -89.9 79.67 6.59 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.398 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 284' ' ' ILE . . . . . 0.655 HD11 HD11 ' D' ' 284' ' ' ILE . 4.9 tt . . . . . 0 C--N 1.32 -0.681 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 171.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.7 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.755 ' HE1' ' HB3' ' C' ' 274' ' ' LEU . 40.4 tpp -140.95 50.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.632 0.729 . . . . 0.0 109.277 175.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.628 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 59.2 m-20 -57.45 -18.4 18.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.168 -177.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.53 -70.28 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.579 172.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.643 HG23 ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -70.84 -33.38 52.11 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.545 178.183 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.628 ' HB2' ' HA ' ' A' ' 2' ' ' ASP . 10.5 mmmm -59.92 -45.1 93.67 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.828 -177.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 9' ' ' GLN . 61.3 tttp -79.66 -32.01 41.49 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.952 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.528 ' HB3' ' O ' ' C' ' 284' ' ' ILE . 20.6 mtpp -65.74 -39.56 91.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 174.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.406 ' HE2' ' HB3' ' A' ' 8' ' ' MET . 15.1 ttp -59.65 -38.3 81.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.363 174.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.552 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 54.6 tt0 -55.27 -54.81 38.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.192 176.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.441 ' HA ' HD13 ' A' ' 13' ' ' LEU . 87.0 mtp -65.02 -36.48 84.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.844 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.47 HD23 HD21 ' B' ' 11' ' ' LEU . 55.8 tp -57.93 -49.08 77.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.651 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -67.53 -32.66 73.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.978 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 9' ' ' GLN . 92.0 mt -59.63 -40.7 88.48 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.243 0.544 . . . . 0.0 110.366 176.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.537 ' HA ' ' HD2' ' A' ' 17' ' ' HIS . 2.4 t70 -65.06 -41.72 94.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.621 177.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -34.99 79.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.976 177.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.407 ' HD2' ' HA ' ' A' ' 13' ' ' LEU . 13.7 m-85 -61.1 -49.48 77.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.26 178.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.537 ' HD2' ' HA ' ' A' ' 14' ' ' ASP . 13.8 p80 -70.36 -25.25 63.19 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.3 -178.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.1 mt -71.69 -49.22 41.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.326 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.472 ' HA ' HG12 ' A' ' 22' ' ' VAL . 32.2 tt0 -62.49 -46.49 88.23 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.504 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.77 -40.74 84.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.448 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.18 -46.3 67.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.315 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.514 ' HB ' HG21 ' B' ' 22' ' ' VAL . 12.1 p -66.68 -34.85 72.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.28 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.51 98.53 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.391 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -57.59 -45.82 84.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.5 tp -72.46 -39.61 67.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.534 ' HE2' HD23 ' B' ' 25' ' ' LEU . 71.7 mmtt -58.43 -42.66 87.79 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.19 0.519 . . . . 0.0 109.884 173.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -43.62 95.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.887 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -63.55 -51.19 66.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.979 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.5 p -70.82 -22.76 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.939 0.399 . . . . 0.0 111.177 -177.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.76 -19.62 57.65 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.06 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 C--N 1.325 -0.461 0 C-N-CA 122.601 0.36 . . . . 0.0 111.132 -176.77 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 270' ' ' ILE . . . . . 0.494 HD11 HD13 ' C' ' 270' ' ' ILE . 9.4 tt . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.533 0.206 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 20.8 p -66.92 -41.52 86.94 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.049 178.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -56.43 -45.65 80.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.012 171.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.9 -47.31 85.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.484 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 274' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' D' ' 270' ' ' ILE . 62.6 mt -67.41 -44.86 77.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.767 0.318 . . . . 0.0 110.541 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -57.85 -48.77 78.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.125 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.78 -37.07 86.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.548 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -76.13 -35.17 59.36 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -176.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 278' ' ' LEU . . . . . 0.631 HD12 ' HB ' ' B' ' 4' ' ' ILE . 3.7 mm? -86.81 -30.27 21.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 279' ' ' LYS . . . . . 0.573 ' HZ2' ' HB3' ' D' ' 279' ' ' LYS . 10.4 mtpm? -80.56 -18.29 48.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.982 0.42 . . . . 0.0 110.027 174.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -37.56 -67.2 0.2 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.696 -1.138 . . . . 0.0 113.443 175.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 281' ' ' MET . . . . . 0.682 ' HE2' HG23 ' D' ' 284' ' ' ILE . 0.0 OUTLIER -80.73 -42.15 22.37 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -169.376 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 282' ' ' THR . . . . . . . . . . . . . 46.3 p 59.27 -28.1 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.343 1.057 . . . . 0.0 113.188 -170.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 283' ' ' SER . . . . . 0.571 ' H ' ' C ' ' D' ' 281' ' ' MET . 49.6 m -92.78 85.68 5.28 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.165 0.507 . . . . 0.0 110.772 175.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 284' ' ' ILE . . . . . 0.682 HG23 ' HE2' ' D' ' 281' ' ' MET . 4.3 tt . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 CA-C-O 119.789 -0.451 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.7 mtp 58.5 90.54 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.143 0.577 . . . . 0.0 110.559 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.12 -31.93 65.81 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.45 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -47.03 -75.38 0.03 OUTLIER 'General case' 0 C--O 1.238 0.488 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.631 ' HB ' HD12 ' D' ' 278' ' ' LEU . 0.0 OUTLIER -69.04 -25.21 29.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.217 -176.225 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.57 ' HE2' ' SD ' ' C' ' 281' ' ' MET . 0.0 OUTLIER -78.02 -39.34 42.39 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.239 -0.585 . . . . 0.0 112.125 -173.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -66.28 -44.11 84.49 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.439 ' HE3' ' CG2' ' D' ' 284' ' ' ILE . 22.1 mtpp -66.18 -41.96 89.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.726 177.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.667 ' HE1' ' HD2' ' B' ' 12' ' ' LYS . 7.4 ttt -49.71 -46.65 50.41 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.349 0.406 . . . . 0.0 111.466 175.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -64.3 -42.8 96.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.975 0.416 . . . . 0.0 110.275 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 77.0 mtp -63.56 -37.42 87.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.363 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.47 HD21 HD23 ' A' ' 11' ' ' LEU . 37.5 tp -67.9 -40.39 83.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.248 178.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.667 ' HD2' ' HE1' ' B' ' 8' ' ' MET . 60.2 mtpt -60.46 -45.78 92.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.816 0.341 . . . . 0.0 110.133 177.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.45 -34.47 78.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.251 176.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.633 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 8.0 t70 -63.82 -52.06 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.289 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -59.08 -34.45 71.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.046 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -59.23 -50.85 72.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.05 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.633 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 21.3 p80 -73.59 -24.43 60.06 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.526 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.5 ' O ' HG23 ' B' ' 22' ' ' VAL . 95.3 mt -67.32 -48.19 68.31 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 174.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.0 -44.13 97.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.354 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.522 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 95.4 m-20 -59.76 -44.2 93.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.702 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -55.53 -54.9 38.17 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.297 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.514 HG21 ' HB ' ' A' ' 22' ' ' VAL . 58.5 t -59.38 -43.14 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.821 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.81 -46.83 86.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.551 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' B' ' 20' ' ' ASN . 11.3 mmp_? -65.12 -35.28 80.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.534 HD23 ' HE2' ' A' ' 26' ' ' LYS . 47.9 tp -69.31 -41.9 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.449 ' HE3' ' CG1' ' B' ' 22' ' ' VAL . 96.7 mttt -66.55 -28.68 68.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.477 177.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.469 ' O ' ' HD2' ' B' ' 27' ' ' LYS . 0.4 OUTLIER -71.28 -45.71 62.52 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.807 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 tp -54.21 -53.3 55.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.337 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.06 -33.77 16.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.171 -177.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.77 -19.63 79.83 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.889 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -63.41 -22.43 66.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.973 0.416 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.43 177.295 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 270' ' ' ILE . . . . . 0.652 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 2.6 tt . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.628 0.251 . . . . 0.0 110.705 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 41.1 m -63.51 -38.64 91.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.612 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -58.86 -46.97 86.52 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.151 0.501 . . . . 0.0 110.002 174.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -57.68 -49.37 76.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.646 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 274' ' ' LEU . . . . . 0.681 ' HB3' ' HE1' ' A' ' 1' ' ' MET . 47.4 mt -65.33 -44.04 89.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.977 -177.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.0 -48.76 72.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.657 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -67.42 -44.54 78.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.014 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.22 96.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.387 -177.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 278' ' ' LEU . . . . . 0.474 ' HG ' ' HB1' ' A' ' 3' ' ' ALA . 4.6 mm? -85.51 -19.66 30.84 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.973 -176.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -76.37 -27.73 56.5 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -44.23 -57.51 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.4 -1.273 . . . . 0.0 113.654 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 281' ' ' MET . . . . . 0.707 ' HG3' HG23 ' C' ' 284' ' ' ILE . 0.0 OUTLIER -81.26 -47.82 12.86 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.463 -172.123 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 282' ' ' THR . . . . . 0.699 ' H ' ' HG2' ' C' ' 281' ' ' MET . 7.3 m 71.8 -45.33 0.62 Allowed 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.847 -1.07 . . . . 0.0 112.449 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 39.8 m -119.09 71.61 0.86 Allowed 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 120.844 0.354 . . . . 0.0 111.604 -176.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 284' ' ' ILE . . . . . 0.707 HG23 ' HG3' ' C' ' 281' ' ' MET . 29.9 pt . . . . . 0 C--O 1.252 1.198 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.901 168.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 112.744 -0.142 . . . . 0.0 112.744 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.876 ' HB3' ' HZ2' ' A' ' 5' ' ' LYS . 51.7 tpp -92.04 75.71 5.49 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 117.333 0.567 . . . . 0.0 109.59 176.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 4.8 p-10 -78.94 -21.56 47.05 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.55 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.474 ' HB1' ' HG ' ' C' ' 278' ' ' LEU . . . -53.24 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.229 -176.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.587 HD12 ' HB ' ' B' ' 4' ' ' ILE . 0.6 OUTLIER -69.58 -36.48 71.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.625 -178.022 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.876 ' HZ2' ' HB3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -62.16 -45.34 93.85 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.349 -0.54 . . . . 0.0 112.08 -176.7 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 12.4 mptt -71.79 -34.95 69.83 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.545 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -63.76 -42.0 97.89 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.692 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.611 ' SD ' ' HE3' ' D' ' 281' ' ' MET . 19.0 ttp -55.71 -46.43 77.72 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 120.719 0.295 . . . . 0.0 110.99 177.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -58.72 -52.63 64.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.955 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.1 ttm -59.77 -40.32 87.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.235 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.4 HD12 ' C ' ' C' ' 284' ' ' ILE . 8.1 tt -59.6 -57.51 12.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.812 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' A' ' 12' ' ' LYS . 13.4 mmmm -66.9 -36.21 81.75 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.179 -176.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.54 -43.0 97.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.015 0.436 . . . . 0.0 109.862 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.751 ' HA ' ' ND1' ' A' ' 17' ' ' HIS . 28.1 t0 -65.57 -42.28 91.98 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.098 177.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -39.1 84.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.395 177.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -61.28 -39.24 89.68 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.751 ' ND1' ' HA ' ' A' ' 14' ' ' ASP . 7.1 m80 -62.89 -56.65 15.39 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.479 ' O ' HG21 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -52.28 -48.6 65.23 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.378 -1.283 . . . . 0.0 111.197 -179.267 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -54.96 -54.48 42.3 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 122.923 0.489 . . . . 0.0 110.779 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.22 -33.77 76.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.855 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.74 -46.03 87.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.337 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.694 HG22 ' HB ' ' B' ' 22' ' ' VAL . 80.5 t -60.46 -43.53 94.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.49 -48.84 80.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.924 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -58.47 -47.34 84.38 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.856 HD13 HG11 ' B' ' 29' ' ' VAL . 19.3 tp -65.9 -42.35 90.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.149 -175.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -59.03 -41.27 87.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.893 0.378 . . . . 0.0 111.047 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -69.25 -44.96 70.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.056 0.455 . . . . 0.0 110.107 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.37 -49.0 78.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.78 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.667 HG13 HD12 ' B' ' 25' ' ' LEU . 11.5 p -64.08 -36.09 75.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.937 -177.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.25 -19.48 76.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.986 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--N 1.327 -0.399 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.44 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 270' ' ' ILE . . . . . 0.646 ' O ' ' HG ' ' D' ' 274' ' ' LEU . 14.0 tt . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.276 0.084 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 46.6 t -66.07 -38.02 87.27 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.45 -42.24 98.45 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.94 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 273' ' ' GLU . . . . . 0.558 ' HG3' ' N ' ' D' ' 274' ' ' LEU . 0.0 OUTLIER -68.36 -37.49 80.5 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.6 -179.371 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 274' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' D' ' 270' ' ' ILE . 77.5 mt -54.53 -49.94 69.04 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.409 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 275' ' ' ASP . . . . . 0.471 ' O ' ' HD3' ' D' ' 279' ' ' LYS . 20.4 t70 -70.37 -50.04 42.92 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.398 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -55.48 -52.24 64.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.356 -177.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 277' ' ' ALA . . . . . 0.692 ' CB ' ' HZ3' ' A' ' 5' ' ' LYS . . . -70.48 -45.97 64.66 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -173.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 278' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.57 -23.54 65.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.022 0.439 . . . . 0.0 110.646 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 279' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' D' ' 275' ' ' ASP . 1.6 mptm? -85.67 -24.22 27.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.882 174.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -63.81 -51.1 66.27 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 121.827 0.822 . . . . 0.0 109.567 171.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 281' ' ' MET . . . . . 0.611 ' HE3' ' SD ' ' A' ' 8' ' ' MET . 12.9 ptm -86.09 47.87 1.52 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.242 -1.344 . . . . 0.0 111.708 -172.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 282' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.93 31.18 0.05 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.131 0.491 . . . . 0.0 111.383 174.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 283' ' ' SER . . . . . 0.541 ' H ' ' C ' ' D' ' 281' ' ' MET . 7.1 p -130.25 10.94 5.39 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.687 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 284' ' ' ILE . . . . . 0.865 HG13 HD23 ' B' ' 11' ' ' LEU . 5.5 tt . . . . . 0 C--O 1.242 0.707 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 171.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.412 ' SD ' HD21 ' C' ' 274' ' ' LEU . 63.5 mtp -124.94 91.59 3.47 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -62.23 -31.7 72.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.019 -174.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -44.95 -68.97 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.921 0.763 . . . . 0.0 111.476 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.587 ' HB ' HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -58.86 -33.51 49.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.928 -178.408 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -70.35 -52.76 20.27 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -171.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 36.5 tttp -73.46 -30.87 63.45 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.139 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.727 ' HE3' HG21 ' D' ' 284' ' ' ILE . 26.6 mtpp -68.02 -39.01 83.22 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 174.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.59 ' SD ' ' HE2' ' C' ' 281' ' ' MET . 1.4 ttt -55.73 -45.79 77.91 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.587 172.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -56.38 -50.1 72.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.464 -176.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 36.2 ttm -69.67 -35.13 74.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.537 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.865 HD23 HG13 ' D' ' 284' ' ' ILE . 61.1 tp -61.97 -50.7 71.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.188 176.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.834 ' HE2' ' HA ' ' B' ' 12' ' ' LYS . 10.0 mmpt? -66.53 -37.24 84.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.778 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.88 -39.67 86.09 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.06 0.457 . . . . 0.0 110.086 173.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.777 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 20.5 t70 -65.6 -45.84 81.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.318 176.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.94 -44.15 97.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.95 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -70.17 -35.66 74.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.777 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 8.2 p80 -70.26 -29.83 66.72 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.774 178.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 53.8 tp -73.06 -40.69 64.86 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.886 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.36 -42.76 99.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.08 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -61.41 -41.44 97.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.036 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -55.52 -55.41 32.23 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.978 176.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.694 ' HB ' HG22 ' A' ' 22' ' ' VAL . 11.5 p -71.11 -29.13 35.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.186 -176.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.97 -48.46 73.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.719 0.295 . . . . 0.0 110.754 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -65.76 -37.14 85.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.038 0.447 . . . . 0.0 110.557 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.667 HD12 HG13 ' A' ' 29' ' ' VAL . 21.3 tp -67.4 -43.76 80.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.31 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.421 ' HA ' HG13 ' B' ' 29' ' ' VAL . 85.7 mttt -63.38 -29.22 70.56 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.095 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -69.47 -46.37 66.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.213 0.53 . . . . 0.0 109.853 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -66.06 -52.71 46.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.073 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.856 HG11 HD13 ' A' ' 25' ' ' LEU . 7.3 p -73.58 -24.04 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.001 0.429 . . . . 0.0 110.641 -178.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.67 -24.8 71.52 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.027 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.79 -37.54 79.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.07 0.462 . . . . 0.0 109.921 174.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.499 ' NH2' ' HA ' ' A' ' 29' ' ' VAL . 4.4 ptm180 . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.695 178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 270' ' ' ILE . . . . . 0.485 ' O ' HD13 ' C' ' 274' ' ' LEU . 2.9 tt . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.563 0.221 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 56.8 m -61.24 -45.3 95.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.674 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -55.06 -44.99 75.28 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 273' ' ' GLU . . . . . 0.42 ' HG3' ' HA2' ' B' ' 0' ' ' GLY . 13.7 tp10 -66.84 -37.2 84.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.569 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 274' ' ' LEU . . . . . 0.485 HD13 ' O ' ' C' ' 270' ' ' ILE . 0.5 OUTLIER -65.97 -48.5 71.04 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 176.114 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 275' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' C' ' 279' ' ' LYS . 76.2 m-20 -52.81 -51.15 61.92 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -52.7 -58.13 7.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.016 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 277' ' ' ALA . . . . . 0.449 ' HB1' ' HA3' ' B' ' 0' ' ' GLY . . . -58.04 -37.93 75.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.246 -174.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 278' ' ' LEU . . . . . 0.562 ' CD1' ' HB ' ' A' ' 4' ' ' ILE . 3.5 mm? -81.38 -22.68 38.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -177.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 279' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' C' ' 275' ' ' ASP . 29.7 mtpp -84.7 -19.5 32.68 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.727 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -61.94 -30.63 71.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.591 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 281' ' ' MET . . . . . 0.852 ' HG3' ' HZ2' ' B' ' 5' ' ' LYS . 0.8 OUTLIER -67.41 -78.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -174.239 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 69.2 p 63.33 -26.47 0.07 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.852 1.261 . . . . 0.0 113.143 -176.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 283' ' ' SER . . . . . 0.517 ' H ' ' C ' ' C' ' 281' ' ' MET . 31.9 m -77.39 -8.85 58.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.626 0.726 . . . . 0.0 109.055 170.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 284' ' ' ILE . . . . . 0.465 HG21 ' HB3' ' C' ' 281' ' ' MET . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.151 0 CA-C-N 113.941 -1.482 . . . . 0.0 107.211 170.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.967 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.401 ' HE2' ' HE1' ' B' ' 1' ' ' MET . 72.8 mmm -71.47 88.84 0.92 Allowed 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 171.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -53.61 -38.6 64.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.532 -170.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -45.41 -62.1 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.596 0.56 . . . . 0.0 111.717 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.562 ' HB ' ' CD1' ' C' ' 278' ' ' LEU . 0.5 OUTLIER -71.51 -34.78 54.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.069 -177.326 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.687 ' HE2' ' SD ' ' D' ' 281' ' ' MET . 20.5 mmtp -76.59 -32.76 58.32 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.288 -174.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -66.94 -43.72 82.46 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -60.49 -50.67 72.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.33 173.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.8 ttp -54.72 -39.8 68.58 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.743 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.501 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 35.0 tt0 -58.82 -57.15 14.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.431 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 62.8 mtt -63.92 -33.39 75.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.789 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.884 HD21 HD21 ' B' ' 11' ' ' LEU . 32.6 tp -59.04 -55.04 40.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.068 177.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -63.67 -35.46 80.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.055 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 9' ' ' GLN . 92.5 mt -63.67 -42.69 98.02 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.893 0.378 . . . . 0.0 110.268 176.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.713 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 22.2 t70 -66.81 -46.16 76.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.471 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -41.64 91.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.674 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -67.27 -44.04 80.35 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.399 -175.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.713 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 16.2 p80 -69.42 -31.38 69.69 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.241 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.0 tp -70.91 -42.92 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.059 0.457 . . . . 0.0 110.16 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.66 -33.74 76.6 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.351 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -72.78 -40.88 65.59 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -60.75 -51.08 70.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.852 176.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.77 ' HB ' HG21 ' B' ' 22' ' ' VAL . 15.0 p -64.69 -40.82 90.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.576 -175.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.82 81.74 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.321 0.581 . . . . 0.0 110.316 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -66.23 -43.86 85.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.444 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 tp -68.82 -41.39 78.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.731 -176.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.694 ' HA ' HG12 ' A' ' 29' ' ' VAL . 16.9 ptpt -71.91 -24.51 61.65 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.703 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.854 ' HZ2' ' HB2' ' A' ' 27' ' ' LYS . 4.5 ttmp? -69.03 -43.46 74.68 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 171.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 tp -59.6 -48.88 79.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.273 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.694 HG12 ' HA ' ' A' ' 26' ' ' LYS . 10.1 p -71.84 -19.76 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 110.58 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.98 -19.88 74.26 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.863 174.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 C--N 1.33 -0.267 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 178.811 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 270' ' ' ILE . . . . . 0.538 ' O ' HD12 ' D' ' 270' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.383 0 CA-C-O 120.559 0.219 . . . . 0.0 110.517 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 60.5 m -65.06 -45.07 86.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.989 0.423 . . . . 0.0 110.368 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.4 -36.38 83.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.384 0.611 . . . . 0.0 109.749 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.18 -55.81 21.97 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.073 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 274' ' ' LEU . . . . . 0.541 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 4.6 pp -63.68 -31.5 72.69 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.04 -176.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 275' ' ' ASP . . . . . 0.473 ' N ' HD12 ' D' ' 274' ' ' LEU . 12.4 t70 -61.63 -55.0 35.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.149 174.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -67.28 -40.44 86.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 -177.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -64.46 -47.35 79.35 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -175.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 278' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.1 -25.66 39.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.726 0.298 . . . . 0.0 111.358 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -85.29 -19.6 31.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.263 0.554 . . . . 0.0 110.194 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -38.47 88.73 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 122.093 0.949 . . . . 0.0 110.61 174.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 281' ' ' MET . . . . . 0.687 ' SD ' ' HE2' ' A' ' 5' ' ' LYS . 5.9 ptm -100.76 44.38 1.02 Allowed 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.169 -1.378 . . . . 0.0 112.246 -165.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 282' ' ' THR . . . . . . . . . . . . . 25.2 p -69.83 31.32 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.818 173.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 283' ' ' SER . . . . . 0.518 ' H ' ' C ' ' D' ' 281' ' ' MET . 50.9 m -145.11 17.52 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.751 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 284' ' ' ILE . . . . . 0.527 ' OXT' ' HB3' ' B' ' 7' ' ' LYS . 11.7 tt . . . . . 0 C--O 1.242 0.675 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . 0.449 ' HA3' ' HB1' ' C' ' 277' ' ' ALA . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.541 ' SD ' ' HB2' ' D' ' 274' ' ' LEU . 76.0 mtm -88.95 96.68 10.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.149 0.499 . . . . 0.0 109.924 177.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . 0.641 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 4.4 p-10 -65.92 -18.49 65.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.483 -174.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.12 -63.75 0.91 Allowed 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.381 0.426 . . . . 0.0 111.923 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.531 HG13 ' CD1' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -74.62 -28.36 21.96 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.351 179.246 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.852 ' HZ2' ' HG3' ' C' ' 281' ' ' MET . 0.2 OUTLIER -57.77 -49.3 77.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.893 0.378 . . . . 0.0 110.795 178.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -65.83 -49.17 69.17 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.977 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.527 ' HB3' ' OXT' ' D' ' 284' ' ' ILE . 31.5 mtmm -65.07 -37.39 87.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.205 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.1 ttt -57.13 -41.51 79.22 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 122.495 0.318 . . . . 0.0 110.869 174.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.452 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 51.2 tt0 -60.23 -49.46 77.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.0 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 65.2 mtt -64.32 -43.31 95.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.318 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.884 HD21 HD21 ' A' ' 11' ' ' LEU . 21.0 tp -53.93 -58.28 7.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.822 177.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.476 ' HE2' ' HB3' ' C' ' 283' ' ' SER . 0.8 OUTLIER -66.82 -30.43 70.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.167 -175.146 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 78.1 mt -69.96 -36.55 75.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.891 0.377 . . . . 0.0 110.443 175.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.644 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 27.9 t70 -67.34 -43.3 81.89 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 175.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.63 -36.85 84.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.585 177.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -63.24 -47.86 80.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.913 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.644 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 14.6 p80 -76.06 -21.3 56.93 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.026 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' B' ' 21' ' ' GLU . 7.5 tp -75.34 -37.77 60.52 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -55.97 -46.93 78.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.681 172.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -63.91 -39.95 95.36 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.208 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.526 ' HG3' HG21 ' A' ' 22' ' ' VAL . 6.2 tp10 -53.03 -52.75 57.46 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.469 174.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.77 HG21 ' HB ' ' A' ' 22' ' ' VAL . 47.2 t -65.52 -45.0 93.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.672 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.88 74.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.617 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -61.67 -42.48 98.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.042 0.449 . . . . 0.0 111.095 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.441 HD21 ' N ' ' A' ' 26' ' ' LYS . 64.6 tp -64.5 -52.86 55.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.216 -177.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.43 ' HD2' HG13 ' B' ' 22' ' ' VAL . 11.4 ptmm? -69.16 -24.72 64.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.071 0.462 . . . . 0.0 109.995 -177.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.461 ' HE3' ' HB2' ' B' ' 27' ' ' LYS . 35.7 ttmt -65.67 -46.05 80.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.849 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 46.4 tp -64.48 -44.96 89.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.404 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 63.0 t -68.54 -41.66 83.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.402 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.22 -25.2 75.08 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.899 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -70.87 -19.54 62.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.358 . . . . 0.0 111.187 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.481 -0.771 . . . . 0.0 111.149 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 270' ' ' ILE . . . . . 0.562 HD12 HD13 ' D' ' 274' ' ' LEU . 12.7 tt . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 25.7 p -71.75 -39.03 70.3 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.753 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.73 -26.73 60.0 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 273' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' C' ' 270' ' ' ILE . 9.0 tp10 -57.7 -50.38 73.41 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 172.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 274' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 73.7 mt -59.91 -46.22 90.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.748 176.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.11 -55.62 32.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.029 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -65.41 -28.61 69.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 277' ' ' ALA . . . . . 0.434 ' HB1' ' HA2' ' B' ' 0' ' ' GLY . . . -65.15 -44.47 88.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.529 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 278' ' ' LEU . . . . . 0.445 ' HG ' ' HB2' ' A' ' 3' ' ' ALA . 4.3 mm? -86.01 -26.73 25.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.426 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -75.87 -20.75 57.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.615 0.245 . . . . 0.0 110.726 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -47.78 -56.42 7.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.585 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 281' ' ' MET . . . . . 0.431 ' O ' HG21 ' C' ' 282' ' ' THR . 0.0 OUTLIER -103.87 -53.23 2.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.688 -175.286 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 282' ' ' THR . . . . . 0.431 HG21 ' O ' ' C' ' 281' ' ' MET . 4.6 t 46.05 23.63 0.2 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.023 0.929 . . . . 0.0 111.688 -175.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 14.7 m -121.6 63.76 0.9 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 284' ' ' ILE . . . . . 0.535 HG23 ' HE2' ' A' ' 7' ' ' LYS . 4.1 tt . . . . . 0 C--O 1.248 0.983 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.15 -175.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . 0.404 ' O ' ' HD3' ' A' ' 5' ' ' LYS . . . . . . . . 0 N--CA 1.485 1.964 0 CA-C-O 119.984 -0.342 . . . . 0.0 112.611 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.472 ' HB3' HG21 ' A' ' 4' ' ' ILE . 3.3 mpp? 54.38 88.4 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.869 0.868 . . . . 0.0 112.53 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -68.59 -23.82 64.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.117 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.445 ' HB2' ' HG ' ' C' ' 278' ' ' LEU . . . -56.02 -63.44 1.18 Allowed 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.334 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.57 HD12 ' HB ' ' B' ' 4' ' ' ILE . 0.7 OUTLIER -69.11 -41.12 81.35 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.525 -177.729 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.578 ' HE2' ' SD ' ' D' ' 281' ' ' MET . 0.7 OUTLIER -66.72 -40.37 88.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -174.701 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -61.96 -51.63 67.31 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.25 0.547 . . . . 0.0 110.162 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.535 ' HE2' HG23 ' C' ' 284' ' ' ILE . 37.0 mtmm -75.01 -22.6 58.4 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.248 -177.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.512 ' SD ' ' HE1' ' D' ' 281' ' ' MET . 35.6 ttp -60.87 -48.63 80.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 0.0 110.491 173.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.405 ' O ' HD22 ' A' ' 13' ' ' LEU . 30.0 tt0 -61.61 -43.46 98.81 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.6 ttp -57.8 -49.62 76.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.218 174.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.25 -55.66 30.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.685 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 8' ' ' MET . 14.1 mmmm -63.45 -36.03 82.4 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.131 -0.227 . . . . 0.0 110.792 -175.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.405 HD22 ' O ' ' A' ' 9' ' ' GLN . 3.2 mm? -62.42 -38.02 88.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.055 0.455 . . . . 0.0 110.299 175.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.759 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 35.7 t70 -65.87 -41.4 91.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.919 175.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -63.56 -46.18 87.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.426 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -58.66 -47.93 82.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.854 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.759 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 3.7 p80 -70.2 -19.83 63.14 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.295 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.8 tp -78.09 -44.65 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 175.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.14 -49.33 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.369 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -66.54 -37.94 86.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.107 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.631 ' HB2' ' O ' ' A' ' 17' ' ' HIS . 22.6 tt0 -63.96 -47.64 79.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.779 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.573 ' HB ' HG23 ' B' ' 22' ' ' VAL . 12.9 p -66.59 -33.28 62.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.74 0.305 . . . . 0.0 110.563 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.72 -46.65 74.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.118 0.485 . . . . 0.0 110.482 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -70.47 -29.94 66.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.93 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 tp -66.57 -45.84 77.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.691 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HB3' HD22 ' B' ' 25' ' ' LEU . 17.1 ptpt -72.9 -21.49 60.9 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.781 0.324 . . . . 0.0 110.506 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 62.9 tttp -74.1 -37.81 64.03 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 172.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.6 -47.34 81.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.323 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.758 ' HB ' HG23 ' B' ' 29' ' ' VAL . 14.9 p -73.5 -35.94 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.711 0.291 . . . . 0.0 110.646 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.88 -19.42 79.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.344 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.544 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 5.1 tp10 . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 110.348 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 270' ' ' ILE . . . . . 0.696 ' O ' ' HG ' ' D' ' 274' ' ' LEU . 12.4 tt . . . . . 0 C--O 1.225 -0.224 0 N-CA-C 111.277 0.103 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 27.2 t -62.68 -48.04 81.02 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -56.78 -44.37 81.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.709 173.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.58 -53.33 57.78 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.263 -176.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 274' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' D' ' 270' ' ' ILE . 16.8 mt -55.97 -52.19 65.06 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.992 0.425 . . . . 0.0 110.758 -177.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 275' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' D' ' 279' ' ' LYS . 14.5 t70 -62.66 -51.54 66.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.685 -176.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -71.87 -34.51 69.26 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.323 -175.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 277' ' ' ALA . . . . . 0.537 ' HA ' ' OD2' ' D' ' 280' ' ' ASP . . . -60.75 -48.02 83.68 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.013 0.435 . . . . 0.0 111.157 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 278' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.7 -19.56 59.02 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.17 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 279' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' D' ' 275' ' ' ASP . 1.9 tppp? -77.99 -32.7 51.36 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 176.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 280' ' ' ASP . . . . . 0.537 ' OD2' ' HA ' ' D' ' 277' ' ' ALA . 71.6 m-20 -51.37 -57.89 7.71 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.816 0.817 . . . . 0.0 110.865 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 281' ' ' MET . . . . . 0.639 ' HG3' ' H ' ' D' ' 282' ' ' THR . 9.6 ptm -70.05 -75.47 0.12 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.944 -1.48 . . . . 0.0 112.784 -171.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 282' ' ' THR . . . . . 0.639 ' H ' ' HG3' ' D' ' 281' ' ' MET . 16.5 p 47.1 23.1 0.26 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.201 0.6 . . . . 0.0 112.142 -171.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 38.1 t -131.21 71.81 1.48 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.586 0.708 . . . . 0.0 109.577 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 284' ' ' ILE . . . . . 0.555 HG22 ' HB3' ' B' ' 7' ' ' LYS . 6.6 tt . . . . . 0 C--O 1.246 0.909 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.398 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . 0.434 ' HA2' ' HB1' ' C' ' 277' ' ' ALA . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.502 ' H ' ' HD3' ' B' ' 5' ' ' LYS . 94.3 mmm -119.56 108.76 14.9 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -41.71 -54.44 3.3 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.131 0.972 . . . . 0.0 113.293 -172.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.55 -61.88 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -173.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.57 ' HB ' HD12 ' A' ' 4' ' ' ILE . 0.8 OUTLIER -68.69 -37.72 77.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.511 -176.267 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.502 ' HD3' ' H ' ' B' ' 1' ' ' MET . 0.2 OUTLIER -56.91 -56.91 15.63 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.072 0.463 . . . . 0.0 111.227 -178.164 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -65.53 -45.89 81.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.473 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.555 ' HB3' HG22 ' D' ' 284' ' ' ILE . 21.0 mtmm -69.09 -34.31 74.91 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.419 ' SD ' ' HG2' ' C' ' 281' ' ' MET . 16.7 ttt -59.86 -44.14 94.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.5 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -64.34 -42.2 96.37 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.293 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 66.8 mtt -61.72 -46.71 88.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.952 0.406 . . . . 0.0 109.996 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 tp -51.43 -59.08 4.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.747 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -62.13 -41.05 97.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.979 -173.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.69 -39.26 77.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.992 0.425 . . . . 0.0 110.868 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.767 ' HA ' ' CE1' ' B' ' 17' ' ' HIS . 30.0 t0 -67.41 -44.3 79.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.943 0.402 . . . . 0.0 110.228 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . 0.418 ' HA ' ' HB2' ' B' ' 18' ' ' LEU . 0.9 OUTLIER -64.72 -23.94 67.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.264 176.33 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.07 -41.71 85.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.757 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.767 ' CE1' ' HA ' ' B' ' 14' ' ' ASP . 4.6 m80 -62.85 -48.67 78.05 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 174.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.483 ' O ' HG22 ' B' ' 22' ' ' VAL . 9.2 mp -49.5 -59.4 3.78 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.874 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -69.1 -26.02 64.71 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.108 -177.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' B' ' 17' ' ' HIS . 9.3 t30 -55.51 -43.57 75.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 175.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.73 -43.8 71.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.26 176.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.573 HG23 ' HB ' ' A' ' 22' ' ' VAL . 46.2 t -56.28 -46.3 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.029 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.43 89.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.367 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.6 mtp85 -71.44 -29.5 64.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.869 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.545 ' O ' HG22 ' B' ' 29' ' ' VAL . 46.9 tp -73.61 -48.35 33.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.673 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -61.24 -32.99 72.79 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.973 0.416 . . . . 0.0 109.952 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -69.16 -42.4 75.97 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.166 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 tp -63.6 -41.61 98.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.955 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.758 HG23 ' HB ' ' A' ' 29' ' ' VAL . 50.5 t -65.1 -46.69 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.699 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.41 -19.86 79.75 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.527 -178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -62.11 -44.09 97.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.157 0.503 . . . . 0.0 110.541 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.03 -175.618 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 270' ' ' ILE . . . . . 0.488 HD13 ' O ' ' C' ' 270' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.414 0 CA-C-O 120.728 0.299 . . . . 0.0 110.329 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 271' ' ' SER . . . . . 0.551 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 58.7 m -68.96 -47.91 64.47 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.921 0.391 . . . . 0.0 110.464 177.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -72.99 -19.31 61.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.981 0.42 . . . . 0.0 110.166 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 273' ' ' GLU . . . . . 0.425 ' CD ' ' H1 ' ' B' ' 0' ' ' GLY . 7.8 tp10 -64.67 -58.27 6.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.206 173.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 274' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' C' ' 271' ' ' SER . 4.6 pp -61.04 -30.3 70.23 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.516 -178.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -57.7 -62.22 1.95 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.371 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -67.84 -32.43 72.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.244 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 277' ' ' ALA . . . . . 0.52 ' HB1' ' HD3' ' B' ' 5' ' ' LYS . . . -64.44 -46.79 81.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.9 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 278' ' ' LEU . . . . . 0.596 HD12 ' HB2' ' A' ' 3' ' ' ALA . 23.2 mt -86.45 -24.54 25.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.401 -176.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -79.95 -19.85 47.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.931 0.396 . . . . 0.0 110.428 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -55.99 -40.04 72.72 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.795 0.807 . . . . 0.0 109.553 169.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 281' ' ' MET . . . . . 0.59 ' HB2' ' HB ' ' C' ' 284' ' ' ILE . 5.5 ptp -98.13 64.09 1.64 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.975 -178.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 14.0 t -82.38 6.06 18.33 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.501 172.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 11.7 m -125.91 12.37 7.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.967 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 284' ' ' ILE . . . . . 0.59 ' HB ' ' HB2' ' C' ' 281' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.946 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 0' ' ' GLY . . . . . 0.442 ' HA3' ' HG2' ' D' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.84 0 N-CA-C 112.205 -0.358 . . . . 0.0 112.205 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.527 ' HE2' ' HG ' ' D' ' 274' ' ' LEU . 23.1 mtt -75.64 83.55 2.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.247 0.546 . . . . 0.0 110.596 178.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -70.17 -33.51 71.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.506 -175.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.596 ' HB2' HD12 ' C' ' 278' ' ' LEU . . . -57.69 -62.51 1.75 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.794 -175.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.647 HD11 ' HB ' ' B' ' 4' ' ' ILE . 1.3 tt -65.61 -39.43 84.97 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.0 -176.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HD2' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -59.7 -51.86 67.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.733 0.302 . . . . 0.0 111.04 -176.63 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -67.95 -44.38 76.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.704 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HD2' ' CG2' ' C' ' 284' ' ' ILE . 22.4 mtmm -67.7 -32.33 72.89 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.054 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.519 ' SD ' ' HE2' ' D' ' 281' ' ' MET . 23.2 ttp -54.7 -48.47 72.41 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.015 0.436 . . . . 0.0 110.08 172.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.404 ' O ' HD22 ' A' ' 13' ' ' LEU . 57.7 tt0 -58.58 -53.12 61.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.438 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 90.6 mtp -60.34 -47.33 86.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.163 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.652 HD22 HD22 ' B' ' 11' ' ' LEU . 57.5 tp -60.38 -49.96 75.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.373 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -63.81 -39.01 93.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.001 -175.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.404 HD22 ' O ' ' A' ' 9' ' ' GLN . 4.4 mm? -73.34 -36.87 66.24 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.011 0.434 . . . . 0.0 110.868 177.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.455 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 37.3 t70 -65.33 -49.5 69.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.216 0.531 . . . . 0.0 110.005 178.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.477 ' HA ' ' HB2' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -67.08 -24.86 66.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.448 177.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.59 -45.74 91.5 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.491 176.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.455 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 25.4 p80 -75.08 -19.83 59.78 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.163 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.477 ' HB2' ' HA ' ' A' ' 15' ' ' ASN . 5.2 mp -69.16 -55.32 10.99 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.762 0.315 . . . . 0.0 110.557 172.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.542 ' HA ' HG11 ' A' ' 22' ' ' VAL . 16.8 pt-20 -70.56 -26.47 63.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.018 -177.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 28.1 t-20 -72.73 -41.28 65.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.42 -44.11 97.7 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.532 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.542 HG11 ' HA ' ' A' ' 19' ' ' GLU . 12.5 p -72.51 -26.62 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.526 178.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.5 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . . . -66.84 -41.41 87.46 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.161 0.505 . . . . 0.0 110.312 175.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 20' ' ' ASN . 25.0 mmm180 -64.08 -39.81 94.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.612 176.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.683 HD13 HG21 ' B' ' 29' ' ' VAL . 2.9 tm? -72.63 -43.31 63.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.009 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HG2' ' HA ' ' A' ' 23' ' ' ALA . 14.1 ptmm? -65.97 -30.13 70.64 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.254 -0.178 . . . . 0.0 111.048 -177.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -76.08 -39.54 55.15 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.932 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.68 -52.05 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.453 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.422 HG12 HD12 ' B' ' 25' ' ' LEU . 11.7 p -74.95 -27.77 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 111.072 -178.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.79 -34.86 55.67 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.865 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 120.74 0.305 . . . . 0.0 110.259 179.079 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 270' ' ' ILE . . . . . 0.407 HD13 HG22 ' C' ' 270' ' ' ILE . 15.1 tt . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 120.619 0.247 . . . . 0.0 111.358 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 9.8 t -68.93 -43.47 75.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.69 -49.87 71.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.264 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 273' ' ' GLU . . . . . 0.442 ' HG2' ' HA3' ' A' ' 0' ' ' GLY . 29.2 tp10 -57.17 -53.23 60.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.605 -177.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 274' ' ' LEU . . . . . 0.527 ' HG ' ' HE2' ' A' ' 1' ' ' MET . 8.7 mp -61.55 -45.93 92.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.539 -175.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -65.07 -44.35 89.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.022 0.439 . . . . 0.0 110.471 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -62.87 -50.3 71.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.69 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -61.61 -30.15 70.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.38 -177.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 278' ' ' LEU . . . . . 0.508 HD22 ' SD ' ' A' ' 1' ' ' MET . 4.3 mm? -85.14 -20.43 30.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.769 0.318 . . . . 0.0 111.212 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 279' ' ' LYS . . . . . 0.499 ' O ' HG22 ' D' ' 282' ' ' THR . 8.5 tppt? -82.21 -38.32 24.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.119 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -49.25 -48.77 45.5 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.199 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 281' ' ' MET . . . . . 0.519 ' HE2' ' SD ' ' A' ' 8' ' ' MET . 26.4 mtp -55.15 -67.06 0.3 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.596 -168.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 282' ' ' THR . . . . . 0.499 HG22 ' O ' ' D' ' 279' ' ' LYS . 20.7 p 46.81 26.13 0.53 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.17 0.588 . . . . 0.0 112.544 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 40.2 m -155.69 68.45 0.65 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.138 0.494 . . . . 0.0 109.758 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 284' ' ' ILE . . . . . . . . . . . . . 9.0 tt . . . . . 0 C--O 1.253 1.287 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.319 178.249 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 0' ' ' GLY . . . . . 0.425 ' H1 ' ' CD ' ' C' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.892 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.7 tpp -62.83 105.18 0.63 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.014 0.435 . . . . 0.0 110.166 174.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -47.37 -54.44 11.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.71 -173.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.42 -58.62 5.75 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -172.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.647 ' HB ' HD11 ' A' ' 4' ' ' ILE . 1.8 tp -78.07 -31.34 16.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.546 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.473 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.904 ' HE2' ' HA ' ' B' ' 5' ' ' LYS . 0.1 OUTLIER -65.06 -47.97 75.45 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.921 -0.487 . . . . 0.0 111.139 -178.325 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -72.29 -40.4 67.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.361 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -66.7 -30.85 71.2 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.768 175.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 41.0 ttp -61.33 -43.53 98.72 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.544 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 57.0 tt0 -59.85 -46.52 89.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.217 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 91.8 mtp -68.62 -36.95 79.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.067 0.46 . . . . 0.0 110.73 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.652 HD22 HD22 ' A' ' 11' ' ' LEU . 44.8 tp -60.68 -51.27 70.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.63 176.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -61.1 -34.43 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.714 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 93.6 mt -60.38 -47.14 87.37 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.007 0.432 . . . . 0.0 110.348 173.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.734 ' HA ' ' HD2' ' B' ' 17' ' ' HIS . 37.9 t70 -63.22 -50.27 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.474 178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -56.84 -44.78 82.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.725 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.46 -44.06 83.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' HIS . . . . . 0.734 ' HD2' ' HA ' ' B' ' 14' ' ' ASP . 3.1 p80 -70.43 -29.06 65.55 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.863 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.526 ' O ' HG21 ' B' ' 22' ' ' VAL . 62.0 mt -67.01 -50.97 60.5 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 173.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -56.64 -36.97 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.946 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.569 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 24.0 t-20 -70.58 -48.13 56.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.97 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.11 -49.25 66.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.645 176.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.526 HG21 ' O ' ' B' ' 18' ' ' LEU . 57.6 t -60.4 -46.11 95.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.434 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.19 99.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.395 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' B' ' 20' ' ' ASN . 36.5 mmt180 -63.39 -44.68 93.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.031 0.443 . . . . 0.0 110.445 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.422 HD12 HG12 ' A' ' 29' ' ' VAL . 38.7 tp -65.54 -45.44 83.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.421 -179.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -68.86 -24.69 64.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.087 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.721 ' HE2' ' HA ' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -67.89 -51.33 49.3 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 174.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.57 -47.88 80.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.517 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.683 HG21 HD13 ' A' ' 25' ' ' LEU . 95.8 t -65.91 -38.13 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.862 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.58 -38.12 94.48 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.797 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -19.65 63.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.018 -0.992 . . . . 0.0 111.111 -176.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 248' ' ' GLY . . . . . 0.43 ' HA3' HG21 ' D' ' 253' ' ' ILE . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 249' ' ' CYS . . . . . 0.636 ' HA ' ' HB3' ' D' ' 249' ' ' CYS . 14.4 t -166.26 -170.43 1.68 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -176.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . -71.09 81.78 0.45 Allowed Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -151.53 -73.85 0.15 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 19.7 m -133.58 36.71 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.072 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 253' ' ' ILE . . . . . 0.565 ' HB ' ' O ' ' C' ' 249' ' ' CYS . 11.3 tp -74.77 -25.55 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.348 -176.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.79 -47.71 83.81 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.245 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.4 -41.04 75.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.616 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . 0.427 ' HG ' ' CD2' ' D' ' 260' ' ' LEU . 3.9 mp -65.1 -52.33 56.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.427 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 257' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' C' ' 253' ' ' ILE . 44.0 mt-10 -61.64 -44.43 97.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.943 0.401 . . . . 0.0 110.58 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -54.54 -59.93 4.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.576 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 259' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' C' ' 263' ' ' GLN . 22.8 tt0 -58.59 -42.66 88.59 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.208 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 260' ' ' LEU . . . . . 0.614 HD11 ' HA ' ' D' ' 260' ' ' LEU . 25.3 tp -57.07 -47.76 80.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.822 0.344 . . . . 0.0 111.227 -178.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 261' ' ' TYR . . . . . 0.516 ' HA ' ' HE2' ' C' ' 264' ' ' LYS . 41.0 m-85 -71.33 -37.18 71.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.235 178.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -63.92 -49.33 73.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.739 0.304 . . . . 0.0 111.236 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 263' ' ' GLN . . . . . 0.541 ' OE1' ' HD2' ' C' ' 266' ' ' LYS . 14.2 mm-40 -68.91 -34.62 75.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.781 -175.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 264' ' ' LYS . . . . . 0.516 ' HE2' ' HA ' ' C' ' 261' ' ' TYR . 0.1 OUTLIER -68.25 -35.44 77.91 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.149 178.668 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.81 -45.09 75.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.248 175.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 266' ' ' LYS . . . . . 0.541 ' HD2' ' OE1' ' C' ' 263' ' ' GLN . 98.0 mttt -58.07 -42.28 85.19 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 176.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 267' ' ' TYR . . . . . 0.41 ' O ' HG22 ' C' ' 270' ' ' ILE . 92.7 t80 -58.08 -48.9 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -70.71 -38.13 73.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.025 0.44 . . . . 0.0 110.519 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.15 73.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.747 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 270' ' ' ILE . . . . . 0.528 ' O ' HD11 ' C' ' 270' ' ' ILE . 0.1 OUTLIER -75.27 -33.97 29.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 22.6 t -64.12 -46.76 82.72 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.36 -37.42 80.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.843 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 273' ' ' GLU . . . . . 0.568 ' CD ' ' HA2' ' B' ' 0' ' ' GLY . 17.0 tp10 -62.42 -63.33 1.26 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.065 -178.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 274' ' ' LEU . . . . . 0.464 HD13 ' N ' ' C' ' 275' ' ' ASP . 4.4 pp -55.07 -36.32 65.48 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.139 0.274 . . . . 0.0 111.149 -175.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 275' ' ' ASP . . . . . 0.464 ' N ' HD13 ' C' ' 274' ' ' LEU . 24.8 t70 -60.07 -59.43 5.43 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.808 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -74.75 -30.94 61.65 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.002 -176.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -57.94 -43.29 86.25 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.965 0.412 . . . . 0.0 111.193 -177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 278' ' ' LEU . . . . . 0.547 HD21 ' SD ' ' A' ' 1' ' ' MET . 4.1 mm? -83.62 -31.53 26.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.77 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -68.65 -38.03 80.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.178 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.83 -38.54 72.78 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.243 0.544 . . . . 0.0 110.674 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 281' ' ' MET . . . . . 0.779 ' HE3' HD12 ' B' ' 4' ' ' ILE . 13.8 mtm -94.35 49.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.153 -175.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 9.7 t -62.1 -3.4 1.25 Allowed 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.15 0.5 . . . . 0.0 110.885 172.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 283' ' ' SER . . . . . 0.426 ' H ' ' C ' ' C' ' 281' ' ' MET . 20.0 m -116.75 24.1 11.5 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.738 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 284' ' ' ILE . . . . . 0.641 HG23 ' O ' ' C' ' 281' ' ' MET . 6.1 tt . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.258 -0.877 . . . . 0.0 109.709 172.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.547 ' SD ' HD21 ' C' ' 278' ' ' LEU . 50.8 ttm -136.91 99.47 4.03 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -57.06 -47.46 80.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.74 -170.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.527 ' HB1' ' HG ' ' C' ' 278' ' ' LEU . . . -49.67 -64.16 0.89 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.262 -174.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.634 HG13 ' HE3' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -65.07 -42.46 94.56 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.522 -177.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.634 ' HE3' HG13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -60.81 -51.74 68.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.219 0.533 . . . . 0.0 111.616 -177.095 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -71.79 -40.13 69.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.211 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.589 ' HD3' HG22 ' C' ' 284' ' ' ILE . 32.9 tttm -76.02 -28.09 57.6 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.613 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.63 ' SD ' ' HG2' ' D' ' 281' ' ' MET . 7.0 ptt? -68.24 -28.54 67.31 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.507 ' O ' HD21 ' A' ' 13' ' ' LEU . 61.3 tt0 -62.85 -46.45 87.86 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.3 ttt -58.33 -47.88 82.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.298 0.57 . . . . 0.0 109.942 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.587 ' HB3' ' HA ' ' A' ' 8' ' ' MET . 25.7 tp -53.09 -54.77 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.639 177.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.468 ' HD3' ' HA ' ' A' ' 12' ' ' LYS . 45.1 mmtt -57.64 -38.92 75.84 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -177.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.507 HD21 ' O ' ' A' ' 9' ' ' GLN . 4.2 mm? -64.04 -35.44 80.73 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.773 178.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.591 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 28.2 t70 -69.03 -45.64 69.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.073 0.463 . . . . 0.0 109.917 174.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -59.82 -41.0 90.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.24 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -60.5 -48.42 81.85 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.675 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.591 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 12.0 p80 -65.47 -27.87 68.81 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.005 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.77 -57.74 4.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.904 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.58 ' HA ' HG12 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -68.46 -30.8 69.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.201 -175.14 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -69.23 -42.39 75.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.917 0.389 . . . . 0.0 109.982 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 42.8 tt0 -64.19 -52.3 59.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.374 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.658 HG22 ' HE3' ' A' ' 26' ' ' LYS . 9.1 p -63.31 -34.89 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.394 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.8 -53.29 49.28 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.774 0.321 . . . . 0.0 110.795 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.1 mtm105 -65.42 -36.14 83.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.202 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.639 HD12 HG23 ' B' ' 29' ' ' VAL . 15.1 tp -63.46 -53.3 54.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.866 -177.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.658 ' HE3' HG22 ' A' ' 22' ' ' VAL . 18.0 ptpt -69.93 -26.18 64.02 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.873 -176.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.16 -41.04 77.78 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 174.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.579 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 45.2 tp -71.71 -40.85 69.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.217 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.637 ' CG2' HG22 ' B' ' 29' ' ' VAL . 21.3 t -70.87 -27.58 30.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 122.002 -0.436 . . . . 0.0 110.001 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.36 -29.84 59.48 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.648 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 12.3 pt-20 -77.79 -19.46 55.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.441 . . . . 0.0 110.226 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 99.6 mtt180 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.063 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 248' ' ' GLY . . . . . 0.409 ' C ' HG12 ' D' ' 253' ' ' ILE . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 112.642 -0.183 . . . . 0.0 112.642 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 249' ' ' CYS . . . . . 0.636 ' HB3' ' HA ' ' C' ' 249' ' ' CYS . 4.6 p -74.22 143.98 44.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.688 0.28 . . . . 0.0 111.16 -176.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 131.97 -47.73 1.0 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 251' ' ' LYS . . . . . 0.588 ' HB3' ' HZ1' ' D' ' 251' ' ' LYS . 9.2 mtpm? -146.14 -51.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.69 0.281 . . . . 0.0 111.07 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 19.0 m -59.21 -44.0 92.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.918 -176.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 253' ' ' ILE . . . . . 0.431 HD12 HD11 ' C' ' 253' ' ' ILE . 20.7 mm -62.71 -32.05 54.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.746 -177.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -60.76 -44.56 96.59 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.759 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.38 -33.79 76.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.534 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 256' ' ' LEU . . . . . 0.44 ' HG ' HD23 ' C' ' 260' ' ' LEU . 7.8 mp -67.61 -46.6 72.09 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.961 177.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 257' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.13 -39.0 89.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.639 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -53.28 -53.38 51.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.969 0.89 . . . . 0.0 110.085 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 259' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' D' ' 263' ' ' GLN . 26.1 tt0 -70.11 -42.06 73.17 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.011 -1.449 . . . . 0.0 111.17 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 260' ' ' LEU . . . . . 0.614 ' HA ' HD11 ' C' ' 260' ' ' LEU . 52.3 tp -53.92 -50.62 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.146 0.498 . . . . 0.0 110.372 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 261' ' ' TYR . . . . . 0.51 ' O ' ' HG ' ' D' ' 265' ' ' LEU . 58.0 t80 -58.5 -47.38 84.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.543 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.97 -49.85 68.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.812 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 263' ' ' GLN . . . . . 0.512 ' HG2' ' O ' ' D' ' 259' ' ' GLU . 82.3 mm-40 -61.01 -41.17 96.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.248 -177.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -68.5 -33.04 73.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.216 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 265' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' D' ' 261' ' ' TYR . 86.5 mt -67.46 -43.3 81.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.133 175.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 266' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -65.07 -39.26 92.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.191 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -61.54 -43.13 99.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.138 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -62.71 -46.58 87.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 176.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -60.6 -51.99 67.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.616 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 270' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -40.96 90.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.69 -176.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 65.5 p -70.3 -40.38 74.28 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.523 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -64.46 -41.13 96.69 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.05 0.453 . . . . 0.0 110.248 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.31 -53.6 54.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.773 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 274' ' ' LEU . . . . . . . . . . . . . 10.9 mp -70.4 -33.72 71.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.462 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 275' ' ' ASP . . . . . 0.548 ' O ' ' HB2' ' D' ' 279' ' ' LYS . 27.4 t70 -58.98 -49.65 77.06 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 174.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -64.99 -32.63 74.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.51 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.68 92.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.388 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 278' ' ' LEU . . . . . 0.632 HD12 ' HB ' ' B' ' 4' ' ' ILE . 3.8 mm? -85.74 -28.43 24.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.726 0.298 . . . . 0.0 110.86 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 279' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' D' ' 275' ' ' ASP . 2.1 tptm -63.0 -31.82 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.632 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -47.1 -62.95 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.783 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 281' ' ' MET . . . . . 0.63 ' HG2' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -92.02 -49.74 6.06 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.319 -177.108 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 282' ' ' THR . . . . . 0.517 HG23 ' O ' ' D' ' 281' ' ' MET . 0.7 OUTLIER 58.64 -8.46 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.031 1.333 . . . . 0.0 113.592 -178.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 283' ' ' SER . . . . . 0.504 ' H ' ' C ' ' D' ' 281' ' ' MET . 46.2 m -135.17 76.0 1.6 Allowed 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.991 -0.443 . . . . 0.0 110.653 176.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 284' ' ' ILE . . . . . 0.852 HG12 ' HD2' ' B' ' 7' ' ' LYS . 31.5 pt . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.734 171.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . 0.568 ' HA2' ' CD ' ' C' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.439 ' O ' ' HD2' ' B' ' 5' ' ' LYS . 46.9 tpp -74.79 88.1 2.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -48.33 -41.28 27.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.347 -171.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.533 ' HB3' ' HG ' ' D' ' 278' ' ' LEU . . . -52.76 -71.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -176.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.779 HD12 ' HE3' ' C' ' 281' ' ' MET . 0.6 OUTLIER -72.27 -30.91 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -175.298 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' B' ' 5' ' ' LYS . 0.2 OUTLIER -54.99 -58.34 8.02 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.469 0.652 . . . . 0.0 110.433 177.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -71.38 -32.6 68.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.624 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.852 ' HD2' HG12 ' D' ' 284' ' ' ILE . 19.4 ttmm -70.95 -34.55 71.57 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.509 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.423 ' O ' ' HB3' ' B' ' 11' ' ' LEU . 32.3 ttp -66.51 -38.71 87.81 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.954 0.407 . . . . 0.0 110.019 176.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.527 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 62.0 tt0 -59.83 -51.53 69.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 48.4 ttm -57.83 -42.24 83.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.623 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.423 ' HB3' ' O ' ' B' ' 8' ' ' MET . 8.0 tp -52.49 -63.36 1.17 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.389 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' B' ' 16' ' ' TYR . 24.5 mtmt -72.58 -25.72 61.45 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -173.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 72.2 mt -61.5 -43.28 99.14 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.783 173.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.578 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 35.4 t70 -68.71 -49.18 60.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.604 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -67.21 -29.35 68.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.471 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.69 ' HA ' ' HG2' ' B' ' 19' ' ' GLU . 2.4 m-85 -69.44 -40.06 77.43 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.421 177.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.578 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 7.3 p80 -70.7 -24.99 62.76 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.57 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tt -73.63 -49.14 27.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.988 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.69 ' HG2' ' HA ' ' B' ' 16' ' ' TYR . 7.9 pt-20 -66.56 -33.39 75.57 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-O 120.725 0.298 . . . . 0.0 110.593 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -65.43 -43.88 89.1 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.245 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.25 -53.79 47.42 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.317 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.69 HG13 ' HA ' ' B' ' 19' ' ' GLU . 9.8 p -62.24 -32.35 54.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -175.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.9 -47.11 69.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.972 0.415 . . . . 0.0 110.698 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -72.34 -29.63 63.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.658 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.582 ' O ' HG21 ' B' ' 29' ' ' VAL . 61.8 tp -69.28 -48.03 62.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.015 177.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.552 ' HA ' HG21 ' B' ' 29' ' ' VAL . 17.2 ptpt -66.29 -26.18 67.21 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.93 0.395 . . . . 0.0 110.317 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -64.48 -44.3 91.42 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 2.4 mm? -64.31 -29.73 70.8 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.015 176.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.639 HG23 HD12 ' A' ' 25' ' ' LEU . 17.4 t -65.63 -33.55 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 175.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.75 -26.09 72.3 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.541 173.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' B' ' 28' ' ' LEU . 0.4 OUTLIER -73.57 -34.87 65.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.627 0.251 . . . . 0.0 111.15 176.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' B' ' 28' ' ' LEU . 12.0 ptm180 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.42 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 112.029 -0.428 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 249' ' ' CYS . . . . . . . . . . . . . 12.0 p -98.63 160.46 14.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.727 0.299 . . . . 0.0 110.557 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . 94.8 76.41 1.32 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.907 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 251' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' C' ' 252' ' ' SER . 36.0 ttpt 68.5 79.99 0.2 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.934 0.494 . . . . 0.0 110.549 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 252' ' ' SER . . . . . 0.554 ' HG ' HD11 ' C' ' 256' ' ' LEU . 23.1 t 171.78 -28.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.184 177.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 253' ' ' ILE . . . . . . . . . . . . . 20.5 mm -70.54 -38.64 74.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.376 -173.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.01 -47.54 84.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.08 0.467 . . . . 0.0 109.829 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.05 -46.86 76.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.641 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . 0.554 HD11 ' HG ' ' C' ' 252' ' ' SER . 3.7 mp -54.98 -52.9 61.65 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.273 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 257' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -58.53 -42.18 87.16 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 120.971 0.415 . . . . 0.0 111.152 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -61.4 -53.91 50.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.221 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 259' ' ' GLU . . . . . 0.598 ' HG3' HE21 ' C' ' 263' ' ' GLN . 31.5 tt0 -64.64 -33.11 75.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.791 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 260' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' C' ' 256' ' ' LEU . 2.9 tt -53.28 -56.87 13.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.953 0.406 . . . . 0.0 110.317 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -69.67 -32.07 70.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.41 70.35 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.272 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 263' ' ' GLN . . . . . 0.598 HE21 ' HG3' ' C' ' 259' ' ' GLU . 80.4 mm-40 -64.15 -41.82 97.02 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.94 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -59.47 -39.38 83.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.634 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -67.08 -51.97 47.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.262 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 266' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' C' ' 266' ' ' LYS . 20.9 ptmt -71.73 -27.2 62.83 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.348 -176.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -66.78 -40.1 88.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.287 0.565 . . . . 0.0 109.485 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.04 -39.22 86.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.68 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -63.62 -48.15 78.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.747 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 270' ' ' ILE . . . . . . . . . . . . . 10.0 tt -66.8 -34.74 71.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.813 0.34 . . . . 0.0 110.33 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 271' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' C' ' 275' ' ' ASP . 47.1 t -65.46 -47.36 76.4 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -50.89 -45.67 60.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.99 0.424 . . . . 0.0 110.214 175.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.87 -58.33 7.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.363 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 274' ' ' LEU . . . . . 0.709 HD12 ' HE1' ' A' ' 1' ' ' MET . 92.7 mt -67.73 -45.97 73.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.791 -174.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 275' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' C' ' 271' ' ' SER . 1.1 m-20 -57.53 -54.61 44.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.81 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -59.78 -41.13 90.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.677 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 277' ' ' ALA . . . . . 0.516 ' O ' ' HB2' ' C' ' 280' ' ' ASP . . . -62.66 -50.16 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.768 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 278' ' ' LEU . . . . . 0.703 HD11 ' HB ' ' A' ' 4' ' ' ILE . 3.8 mm? -77.21 -18.32 57.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.629 0.252 . . . . 0.0 111.625 -175.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 279' ' ' LYS . . . . . 0.585 ' HB3' ' HZ2' ' C' ' 279' ' ' LYS . 10.2 mtpm? -86.05 -19.0 30.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.002 173.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 280' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' C' ' 277' ' ' ALA . 0.3 OUTLIER -53.06 -63.54 1.11 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -175.656 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 281' ' ' MET . . . . . 0.484 ' C ' ' HG1' ' C' ' 282' ' ' THR . 0.0 OUTLIER -70.08 -25.51 63.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.749 -172.634 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 282' ' ' THR . . . . . 0.484 ' HG1' ' C ' ' C' ' 281' ' ' MET . 17.9 p 54.99 -69.73 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.144 0.978 . . . . 0.0 112.879 -173.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 24.7 t -74.4 81.76 1.91 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.514 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 284' ' ' ILE . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.556 -0.735 . . . . 0.0 109.596 173.491 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.94 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.709 ' HE1' HD12 ' C' ' 274' ' ' LEU . 30.9 tpp -96.76 29.6 2.95 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.445 0.641 . . . . 0.0 109.709 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.06 -19.85 14.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.098 -0.956 . . . . 0.0 112.751 -171.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.47 -58.57 6.95 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.157 0.503 . . . . 0.0 110.984 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.703 ' HB ' HD11 ' C' ' 278' ' ' LEU . 0.7 OUTLIER -78.44 -38.52 22.77 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.698 178.652 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.894 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 7.5 mmpt? -60.52 -43.26 97.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.849 0.357 . . . . 0.0 111.113 -175.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -69.78 -47.66 62.09 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.904 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -63.96 -29.08 70.28 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.735 178.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.629 ' SD ' ' HE2' ' D' ' 281' ' ' MET . 48.7 ttp -61.41 -45.5 94.05 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.666 176.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -56.44 -47.3 79.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.494 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -67.66 -33.12 74.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.589 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.473 HD23 HD21 ' B' ' 11' ' ' LEU . 28.9 tp -61.75 -45.94 91.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.942 175.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 8' ' ' MET . 29.9 mtpp -63.37 -40.96 98.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.942 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.37 -39.96 84.95 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.163 0.506 . . . . 0.0 110.171 174.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.948 ' HA ' ' HD2' ' A' ' 17' ' ' HIS . 29.6 t70 -67.43 -50.22 60.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.885 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.39 -33.77 75.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.272 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -83.59 -27.89 28.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.324 0.491 . . . . 0.0 112.324 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.948 ' HD2' ' HA ' ' A' ' 14' ' ' ASP . 1.4 p80 -73.44 -28.72 62.12 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 119.376 -0.93 . . . . 0.0 108.85 173.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.4 tp -75.04 -38.25 61.5 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 174.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -59.09 -49.18 78.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.14 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -69.86 -33.87 72.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.364 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -58.24 -58.51 8.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.331 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.46 ' HB ' HG23 ' B' ' 22' ' ' VAL . 11.0 p -64.8 -30.8 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.451 -177.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.43 71.65 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.896 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -65.44 -41.48 93.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.075 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.66 -48.51 79.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.324 -176.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -67.85 -30.2 69.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.829 0.347 . . . . 0.0 110.373 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.576 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 23.1 ttpp -79.68 -21.29 44.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.186 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.0 tp -76.92 -36.98 56.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 110.314 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.431 ' HB ' HG22 ' B' ' 29' ' ' VAL . 8.5 p -83.1 -29.61 8.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.027 175.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.29 -18.88 78.94 Favored Glycine 0 CA--C 1.519 0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.009 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.576 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 4.1 tp10 -66.75 -22.06 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.333 0.587 . . . . 0.0 110.124 177.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 . . . . . 0 C--O 1.244 0.809 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.638 -173.399 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 112.084 -0.406 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 249' ' ' CYS . . . . . 0.409 ' HB3' ' HB ' ' D' ' 253' ' ' ILE . 45.6 t -150.83 -35.9 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.652 0.263 . . . . 0.0 111.184 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . -178.3 -64.84 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.876 -176.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -149.09 -69.56 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.734 0.267 . . . . 0.0 111.643 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 48.0 t -57.75 -52.68 64.45 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.971 0.415 . . . . 0.0 111.565 -175.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 253' ' ' ILE . . . . . 0.632 HD13 HD13 ' D' ' 256' ' ' LEU . 26.3 mm -62.1 -29.74 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.685 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.55 -44.79 93.14 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.305 -0.158 . . . . 0.0 111.137 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -67.98 -39.35 83.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.347 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 256' ' ' LEU . . . . . 0.632 HD13 HD13 ' D' ' 253' ' ' ILE . 53.1 mt -60.4 -52.08 66.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.986 177.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 257' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.28 -38.79 92.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.562 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.51 -52.0 67.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.309 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 259' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.8 -38.16 89.6 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.884 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 260' ' ' LEU . . . . . 0.433 HD11 ' HG ' ' C' ' 256' ' ' LEU . 9.5 tt -55.74 -50.23 70.95 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 261' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -60.01 -44.18 94.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.313 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -62.53 -51.8 65.98 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.423 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 263' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -68.3 -30.58 69.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.12 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -63.74 -45.38 90.17 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.24 -42.85 99.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.62 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 266' ' ' LYS . . . . . 0.857 ' HA ' ' HE2' ' D' ' 266' ' ' LYS . 9.5 mmpt? -60.59 -45.05 95.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.995 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -56.69 -48.86 76.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.969 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -70.51 -37.45 74.17 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.486 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -64.25 -47.76 78.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.19 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 270' ' ' ILE . . . . . 0.468 HD11 HD21 ' D' ' 274' ' ' LEU . 0.0 OUTLIER -66.15 -37.74 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -178.012 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 271' ' ' SER . . . . . 0.524 ' O ' ' HG ' ' D' ' 274' ' ' LEU . 50.6 m -65.21 -49.69 68.75 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.148 0.499 . . . . 0.0 110.482 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.35 -42.57 99.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.003 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -65.7 -44.95 84.61 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.22 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 274' ' ' LEU . . . . . 0.822 HD13 ' HE1' ' B' ' 1' ' ' MET . 3.8 pp -61.86 -42.48 99.11 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.809 -174.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -68.1 -45.47 73.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.232 0.539 . . . . 0.0 110.206 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -66.68 -50.88 61.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.098 -176.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 277' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' D' ' 281' ' ' MET . . . -64.01 -35.17 79.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.607 -174.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 278' ' ' LEU . . . . . 0.566 HD11 ' SD ' ' D' ' 281' ' ' MET . 4.1 mm? -74.99 -29.08 60.79 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.883 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -75.16 -35.35 61.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.236 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -56.51 -51.78 67.23 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.864 0.84 . . . . 0.0 110.171 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 281' ' ' MET . . . . . 0.629 ' HE2' ' SD ' ' A' ' 8' ' ' MET . 14.5 ptm -82.89 41.95 0.77 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.945 -172.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 282' ' ' THR . . . . . 0.467 ' HA ' ' HZ3' ' B' ' 7' ' ' LYS . 14.2 t -60.54 -12.12 8.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.847 0.356 . . . . 0.0 110.704 175.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 24.6 m -89.94 13.08 15.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.076 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 284' ' ' ILE . . . . . 0.59 HG21 ' O ' ' D' ' 281' ' ' MET . 7.2 tt . . . . . 0 C--O 1.246 0.908 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 173.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.873 0 N-CA-C 111.852 -0.499 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.822 ' HE1' HD13 ' D' ' 274' ' ' LEU . 50.5 tpp -120.16 90.17 3.27 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -77.1 -23.78 51.82 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.606 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.66 -65.54 0.54 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.912 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.703 ' HB ' HD13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -62.04 -46.87 95.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.616 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.595 178.152 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.522 ' HD3' HG13 ' B' ' 4' ' ' ILE . 20.7 mmtp -60.29 -45.78 92.16 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -172.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.88 -43.36 68.54 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.184 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.467 ' HZ3' ' HA ' ' D' ' 282' ' ' THR . 38.1 mtpt -72.94 -34.33 66.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.966 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.645 ' HE2' ' HG3' ' B' ' 12' ' ' LYS . 1.1 tmt? -65.21 -34.47 78.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.511 175.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.454 ' O ' HD21 ' B' ' 13' ' ' LEU . 53.2 tt0 -62.2 -46.81 87.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 26.6 ttt -62.38 -41.69 98.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.134 0.493 . . . . 0.0 109.887 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.536 ' HB3' ' HA ' ' B' ' 8' ' ' MET . 15.8 tp -54.13 -48.66 70.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.078 175.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.968 ' HE2' ' HA ' ' B' ' 12' ' ' LYS . 9.2 mmpt? -66.61 -33.05 74.8 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.36 -177.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.454 HD21 ' O ' ' B' ' 9' ' ' GLN . 4.0 mm? -64.9 -40.87 95.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.953 0.406 . . . . 0.0 110.223 175.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.702 ' HA ' ' HD2' ' B' ' 17' ' ' HIS . 1.2 t70 -70.45 -44.24 68.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.458 0.646 . . . . 0.0 109.789 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -40.57 89.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.732 177.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -66.21 -45.41 80.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.46 -177.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.702 ' HD2' ' HA ' ' B' ' 14' ' ' ASP . 12.2 p80 -66.99 -28.19 68.05 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 119.832 -0.747 . . . . 0.0 109.948 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.5 ' O ' HG22 ' B' ' 22' ' ' VAL . 96.9 mt -70.39 -52.62 21.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.334 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.36 -41.3 88.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.56 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -57.39 -47.76 80.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.603 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -62.35 -44.52 96.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.232 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.5 HG22 ' O ' ' B' ' 18' ' ' LEU . 83.9 t -61.24 -48.68 87.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.888 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.24 91.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.948 0.404 . . . . 0.0 111.315 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 80.8 mmt-85 -63.98 -40.59 96.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 tp -73.19 -35.71 66.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.827 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -56.91 -49.76 74.63 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.948 0.404 . . . . 0.0 110.788 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -69.8 -30.89 68.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.739 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.28 -46.51 70.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.053 0.454 . . . . 0.0 110.636 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.431 HG22 ' HB ' ' A' ' 29' ' ' VAL . 87.7 t -70.37 -35.04 60.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.726 178.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.86 -32.28 77.26 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.052 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.89 -42.96 99.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.368 0.604 . . . . 0.0 111.475 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.809 -171.919 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.748 -0.141 . . . . 0.0 112.748 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 249' ' ' CYS . . . . . . . . . . . . . 48.8 t -159.31 -17.84 0.06 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.958 0.409 . . . . 0.0 110.871 -176.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . 135.25 -41.25 1.46 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.28 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -136.71 150.21 48.32 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 252' ' ' SER . . . . . 0.501 ' O ' ' HG ' ' C' ' 256' ' ' LEU . 34.0 t 68.24 -72.78 0.09 Allowed 'General case' 0 CA--C 1.53 0.185 0 O-C-N 124.019 0.824 . . . . 0.0 111.641 176.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 253' ' ' ILE . . . . . 0.523 ' O ' ' HG3' ' C' ' 257' ' ' GLU . 27.4 mm -56.9 -45.06 83.36 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.841 -175.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.63 -43.75 98.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.056 0.455 . . . . 0.0 110.888 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.87 -35.42 81.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.772 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' C' ' 252' ' ' SER . 78.3 mt -71.68 -35.61 70.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.704 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 257' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' C' ' 253' ' ' ILE . 53.5 mt-10 -61.2 -44.33 97.46 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.33 0.586 . . . . 0.0 109.733 176.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -64.2 -50.74 66.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.75 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 259' ' ' GLU . . . . . 0.408 ' HB3' ' HA ' ' C' ' 256' ' ' LEU . 10.6 tp10 -56.17 -50.0 72.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.623 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 260' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.93 -48.16 80.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.443 -177.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -59.52 -50.11 75.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.722 177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -60.99 -55.07 37.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.566 -177.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 263' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -58.61 -42.95 89.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.59 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -60.19 -47.75 84.64 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.092 0.472 . . . . 0.0 110.345 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -62.93 -50.91 68.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.15 -177.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 266' ' ' LYS . . . . . 0.474 ' HA ' ' HB3' ' C' ' 269' ' ' ALA . 0.0 OUTLIER -71.87 -20.21 61.84 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.626 -176.047 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -67.33 -44.95 77.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.143 0.497 . . . . 0.0 109.681 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -70.36 -39.01 74.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.917 175.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 269' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' C' ' 266' ' ' LYS . . . -58.44 -48.84 79.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 270' ' ' ILE . . . . . 0.735 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 10.4 tt -65.03 -39.77 86.78 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.382 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 23.0 t -60.5 -46.98 88.14 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.781 0.324 . . . . 0.0 110.325 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.03 -39.29 89.22 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.433 176.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 273' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' C' ' 276' ' ' HIS . 28.7 tt0 -66.95 -34.98 78.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.721 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 274' ' ' LEU . . . . . 0.735 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 31.6 mt -69.56 -41.96 75.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.787 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -58.52 -45.88 87.92 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 276' ' ' HIS . . . . . 0.449 ' HB3' ' O ' ' C' ' 273' ' ' GLU . 22.7 t-80 -50.78 -55.48 16.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.177 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 277' ' ' ALA . . . . . 0.49 ' HB2' ' HD2' ' B' ' 5' ' ' LYS . . . -51.06 -52.78 39.87 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.448 -0.796 . . . . 0.0 113.118 -174.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 278' ' ' LEU . . . . . 0.543 ' HG ' ' HB1' ' A' ' 3' ' ' ALA . 2.4 mm? -75.75 -37.09 59.62 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.125 -175.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -68.98 -19.85 64.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.649 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -60.71 -28.62 68.79 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.649 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 281' ' ' MET . . . . . 0.458 ' SD ' ' N ' ' C' ' 282' ' ' THR . 0.0 OUTLIER -109.43 -78.4 0.59 Allowed 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.191 -173.701 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 282' ' ' THR . . . . . 0.458 ' N ' ' SD ' ' C' ' 281' ' ' MET . 23.5 m 66.75 -0.98 1.45 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.832 0.825 . . . . 0.0 110.436 -173.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 283' ' ' SER . . . . . 0.425 ' H ' ' C ' ' C' ' 281' ' ' MET . 22.8 t -151.1 60.48 0.91 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.082 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 284' ' ' ILE . . . . . 0.634 HG23 ' HG3' ' B' ' 8' ' ' MET . 13.8 pt . . . . . 0 C--O 1.251 1.153 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.179 170.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.526 ' CE ' HD11 ' C' ' 274' ' ' LEU . 23.5 mmt -92.75 82.53 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.208 0.528 . . . . 0.0 109.945 -178.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.66 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 8.6 p-10 -67.51 -19.86 65.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.481 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.543 ' HB1' ' HG ' ' C' ' 278' ' ' LEU . . . -54.51 -64.63 0.77 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.384 175.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.973 HD12 ' HB ' ' B' ' 4' ' ' ILE . 0.2 OUTLIER -64.5 -37.92 81.27 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.723 176.396 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.66 ' HB2' ' HA ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -57.23 -52.62 64.57 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -176.158 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -78.62 -29.92 46.23 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.042 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -37.25 86.46 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 173.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.8 ttp -62.54 -38.94 91.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.297 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -57.5 -52.24 66.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.103 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.1 ttt -65.15 -39.09 92.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.607 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.837 HD12 HD23 ' B' ' 11' ' ' LEU . 9.4 tt -57.36 -54.33 48.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.733 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -65.2 -34.52 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.909 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.81 -46.79 81.4 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.98 -37.27 83.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.756 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -49.62 71.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -62.9 -37.83 88.51 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.232 0.539 . . . . 0.0 109.861 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -57.52 -53.8 54.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.842 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.15 -57.36 8.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.246 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -48.99 -50.7 34.58 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.448 0.467 . . . . 0.0 111.644 -175.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.479 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 45.1 t30 -68.15 -46.45 70.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.49 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -65.49 -41.77 92.89 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.198 0.523 . . . . 0.0 110.512 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.614 HG12 HG11 ' B' ' 22' ' ' VAL . 74.2 t -66.16 -34.86 73.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.594 178.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.9 83.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.199 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 60.9 mtp180 -69.7 -34.93 74.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.612 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.31 -49.08 68.25 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.577 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.52 ' HE3' HG11 ' A' ' 22' ' ' VAL . 17.1 ptpt -73.03 -19.09 61.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.51 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 46.6 tttp -71.13 -39.45 71.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.173 171.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.32 -52.92 63.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.034 0.445 . . . . 0.0 110.76 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 p -77.53 -25.39 14.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.012 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.0 -17.74 66.73 Favored Glycine 0 C--O 1.229 -0.206 0 CA-C-N 115.913 -0.585 . . . . 0.0 113.129 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 6.1 tp10 -67.71 -18.74 65.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.091 0.472 . . . . 0.0 110.534 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.655 -0.688 . . . . 0.0 110.281 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.599 -0.201 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 249' ' ' CYS . . . . . 0.668 ' HA ' ' CG1' ' D' ' 253' ' ' ILE . 58.6 m -98.62 156.12 16.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.733 0.302 . . . . 0.0 111.244 -178.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 250' ' ' GLY . . . . . 0.439 ' H ' ' HB ' ' D' ' 253' ' ' ILE . . . 119.29 -99.86 0.78 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.167 175.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 251' ' ' LYS . . . . . 0.718 ' HE3' ' HA ' ' D' ' 251' ' ' LYS . 0.1 OUTLIER -71.92 -52.71 15.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.696 0.284 . . . . 0.0 111.062 -170.075 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 16.6 m -66.45 -34.08 77.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.19 0.519 . . . . 0.0 110.345 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 253' ' ' ILE . . . . . 0.668 ' CG1' ' HA ' ' D' ' 249' ' ' CYS . 15.2 mm -63.98 -35.56 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.827 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.2 -49.48 71.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.088 0.471 . . . . 0.0 110.35 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.3 -45.72 75.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.097 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 256' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.59 -45.95 91.92 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.775 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 257' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -65.27 -38.2 89.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 110.206 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.41 -50.68 72.61 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.097 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 259' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -73.67 -31.86 63.68 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.981 -177.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 260' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.3 -44.75 92.49 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 261' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.39 -42.98 99.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.938 175.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.71 -51.01 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.852 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 263' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -67.18 -31.07 71.22 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.334 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -71.65 -36.47 70.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.144 0.497 . . . . 0.0 109.793 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 23.9 tp -67.68 -36.6 80.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.813 176.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 266' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -66.82 -40.43 88.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.501 175.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 267' ' ' TYR . . . . . 0.543 ' HA ' HG23 ' D' ' 270' ' ' ILE . 51.4 t80 -65.18 -39.12 92.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.807 0.337 . . . . 0.0 110.101 176.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -59.64 -47.91 83.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.961 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.56 98.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.711 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 270' ' ' ILE . . . . . 0.543 HG23 ' HA ' ' D' ' 267' ' ' TYR . 11.8 tt -71.42 -35.72 58.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.818 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 28.8 t -70.11 -35.81 74.4 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -66.18 -47.37 74.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.087 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -59.3 -58.46 8.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.204 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 274' ' ' LEU . . . . . . . . . . . . . 6.3 mp -62.92 -46.81 86.05 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -174.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.03 -51.61 68.59 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.911 0.386 . . . . 0.0 110.05 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 276' ' ' HIS . . . . . 0.46 ' O ' ' HB2' ' D' ' 280' ' ' ASP . 2.0 t-80 -65.53 -40.37 92.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.855 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -69.65 -37.72 76.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -174.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 278' ' ' LEU . . . . . 0.531 ' HG ' ' SD ' ' B' ' 1' ' ' MET . 4.3 mm? -85.29 -24.07 27.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.878 0.37 . . . . 0.0 111.294 -177.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 279' ' ' LYS . . . . . 0.405 ' HB2' ' HE3' ' D' ' 279' ' ' LYS . 29.2 ttmt -85.55 -19.07 31.67 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.571 0.701 . . . . 0.0 109.7 176.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 280' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' D' ' 276' ' ' HIS . 5.9 t70 -54.63 -46.51 73.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.938 -173.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 281' ' ' MET . . . . . 0.552 ' HG2' ' N ' ' D' ' 282' ' ' THR . 0.0 OUTLIER -89.8 -56.87 3.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.507 -0.477 . . . . 0.0 112.063 -173.632 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 282' ' ' THR . . . . . 0.552 ' N ' ' HG2' ' D' ' 281' ' ' MET . 0.4 OUTLIER 69.63 -32.6 0.23 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.51 0.724 . . . . 0.0 112.17 -174.551 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 283' ' ' SER . . . . . 0.484 ' H ' ' C ' ' D' ' 281' ' ' MET . 14.2 m -88.79 81.8 6.91 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.067 0.46 . . . . 0.0 111.336 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 284' ' ' ILE . . . . . 0.619 HG22 ' NZ ' ' B' ' 7' ' ' LYS . 1.7 tt . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.008 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.531 ' SD ' ' HG ' ' D' ' 278' ' ' LEU . 43.4 tpp -86.42 89.21 7.81 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -60.39 -25.75 66.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.051 -172.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.02 -69.09 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.917 0.389 . . . . 0.0 111.655 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.973 ' HB ' HD12 ' A' ' 4' ' ' ILE . 1.6 tp -72.81 -37.26 54.5 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.483 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.978 ' HE2' ' HA ' ' B' ' 5' ' ' LYS . 10.0 mmpt? -70.59 -47.21 61.31 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -172.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -68.69 -45.13 72.45 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.404 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.619 ' NZ ' HG22 ' D' ' 284' ' ' ILE . 8.0 mtmp? -66.63 -32.1 73.2 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.569 178.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.634 ' HG3' HG23 ' C' ' 284' ' ' ILE . 12.4 ttt -53.23 -47.87 68.65 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.91 0.386 . . . . 0.0 110.77 174.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.421 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 35.2 tt0 -59.4 -50.61 73.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.507 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 23.7 ttt -59.62 -46.88 87.67 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.198 0.523 . . . . 0.0 110.61 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.837 HD23 HD12 ' A' ' 11' ' ' LEU . 7.2 tp -50.96 -59.16 4.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.946 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -68.25 -28.7 67.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.551 -174.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 83.4 mt -67.92 -41.2 82.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.042 0.449 . . . . 0.0 110.044 174.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.648 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 34.6 t70 -63.93 -50.79 67.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.351 176.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.99 -32.74 74.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.57 -48.94 77.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.044 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.648 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 20.9 p80 -73.34 -23.64 60.26 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.187 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.612 ' O ' HG13 ' B' ' 22' ' ' VAL . 87.2 mt -67.53 -48.92 65.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.534 ' HA ' HG23 ' B' ' 22' ' ' VAL . 34.5 tt0 -61.6 -35.9 79.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.993 0.425 . . . . 0.0 110.008 177.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.64 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 44.6 t-20 -59.64 -48.77 80.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 175.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.35 -53.46 57.08 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.134 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.614 HG11 HG12 ' A' ' 22' ' ' VAL . 3.4 m -66.05 -27.84 42.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.241 -174.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.78 -41.39 83.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.061 0.458 . . . . 0.0 110.226 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.64 ' HG2' ' O ' ' B' ' 20' ' ' ASN . 24.7 mmt180 -70.41 -36.84 74.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.594 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.468 ' O ' HG21 ' B' ' 29' ' ' VAL . 61.1 tp -62.62 -53.74 50.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.208 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -63.06 -34.63 78.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.914 0.388 . . . . 0.0 110.584 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -64.33 -40.48 95.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.624 177.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.7 -44.34 77.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.459 178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.468 HG21 ' O ' ' B' ' 25' ' ' LEU . 88.0 t -62.4 -38.1 80.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.21 -22.81 72.79 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.272 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -71.4 -48.04 52.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.436 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.072 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 N-CA-C 111.799 -0.52 . . . . 0.0 111.799 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 249' ' ' CYS . . . . . 0.562 ' HA ' HG13 ' C' ' 253' ' ' ILE . 42.2 m 60.95 35.97 18.91 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.609 0.364 . . . . 0.0 111.88 172.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . -117.53 51.97 0.71 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.246 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -151.7 -75.95 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.965 0.412 . . . . 0.0 110.77 -177.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 18.4 m -136.05 6.8 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.769 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 253' ' ' ILE . . . . . 0.562 HG13 ' HA ' ' C' ' 249' ' ' CYS . 47.9 mm -67.89 -30.0 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.155 -176.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -62.42 -44.49 96.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.299 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -81.86 -20.85 38.07 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.486 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . 0.534 ' HB2' ' HA ' ' C' ' 253' ' ' ILE . 2.7 mp -68.34 -47.33 67.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.524 174.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 257' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.59 -33.71 74.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 109.997 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.11 -58.92 6.33 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.495 0.664 . . . . 0.0 109.541 173.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 259' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -65.65 -30.89 71.65 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.548 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 260' ' ' LEU . . . . . 0.716 HD22 ' HG ' ' D' ' 256' ' ' LEU . 52.5 tp -57.91 -45.54 86.32 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.817 0.342 . . . . 0.0 110.115 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -61.51 -45.08 95.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.073 175.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -61.19 -49.98 74.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.213 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 263' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -60.4 -42.66 96.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.125 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -62.27 -47.0 86.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.542 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 36.9 tp -71.34 -41.91 69.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 266' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -62.34 -41.01 98.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.344 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -62.09 -43.96 97.69 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -60.99 -49.1 78.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.102 175.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -56.3 -51.7 67.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.986 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 270' ' ' ILE . . . . . 0.418 ' O ' HD12 ' C' ' 274' ' ' LEU . 16.0 tt -67.29 -44.44 87.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.608 -175.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 10.4 t -66.81 -34.38 77.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.302 0.572 . . . . 0.0 109.989 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -76.26 -37.36 57.69 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.52 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.6 -40.75 92.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.534 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 274' ' ' LEU . . . . . 0.548 ' O ' HD22 ' C' ' 278' ' ' LEU . 7.9 mp -57.53 -56.8 17.24 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 174.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 275' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' C' ' 279' ' ' LYS . 16.1 t70 -49.26 -47.67 46.48 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.659 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -59.91 -51.77 68.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.217 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -55.98 -40.82 73.84 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -174.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 278' ' ' LEU . . . . . 0.579 HD13 ' HE3' ' C' ' 281' ' ' MET . 0.8 OUTLIER -82.53 -19.34 38.82 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.605 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 279' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' C' ' 275' ' ' ASP . 0.7 OUTLIER -80.72 -27.77 36.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.462 178.132 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -56.31 -18.97 12.32 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.944 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 281' ' ' MET . . . . . 0.844 ' HE2' HG22 ' C' ' 284' ' ' ILE . 23.0 ptt? -128.27 34.7 4.52 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.454 -168.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 2.9 p -57.6 78.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.555 0.693 . . . . 0.0 112.633 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 283' ' ' SER . . . . . 0.41 ' N ' ' O ' ' C' ' 281' ' ' MET . 50.4 m -163.82 -36.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 284' ' ' ILE . . . . . 0.844 HG22 ' HE2' ' C' ' 281' ' ' MET . 8.0 tt . . . . . 0 C--O 1.252 1.225 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.331 174.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . 0.582 ' HA2' ' CD ' ' D' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 112.258 -0.337 . . . . 0.0 112.258 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp -81.54 73.83 8.56 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 36.2 m-20 -57.61 -32.64 67.41 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.693 -175.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.2 -66.81 0.35 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.515 0.509 . . . . 0.0 111.582 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.482 HG21 ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -79.65 -36.98 17.95 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.493 -178.693 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.855 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -59.02 -48.68 80.71 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.655 0.264 . . . . 0.0 111.447 -177.17 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 0.7 OUTLIER -72.9 -42.77 63.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.384 -178.353 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HE2' HG23 ' C' ' 284' ' ' ILE . 32.6 mtmm -70.76 -28.68 64.87 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 119.906 -0.717 . . . . 0.0 110.823 178.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.643 ' HG3' HD12 ' D' ' 284' ' ' ILE . 47.0 ttp -60.01 -44.47 94.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.866 0.365 . . . . 0.0 110.127 173.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.436 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 63.2 tt0 -60.52 -46.8 88.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.181 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -61.02 -46.25 91.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.169 177.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.884 HD23 HD22 ' B' ' 11' ' ' LEU . 15.7 tp -54.55 -53.09 59.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.307 176.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -65.47 -31.89 73.21 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.038 -177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 9' ' ' GLN . 90.3 mt -70.43 -38.77 74.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.975 0.417 . . . . 0.0 110.136 175.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.737 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 27.2 t70 -64.77 -48.86 72.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.825 176.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -35.96 80.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.218 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -64.22 -50.01 69.69 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.737 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 19.4 p80 -67.01 -26.02 66.58 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 119.876 -0.729 . . . . 0.0 110.328 -177.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.621 ' O ' HG21 ' A' ' 22' ' ' VAL . 94.0 mt -69.91 -61.98 1.56 Allowed 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -55.41 -38.96 69.61 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.065 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -64.33 -45.06 89.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.553 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.28 -37.21 86.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.208 0.528 . . . . 0.0 109.592 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.621 HG21 ' O ' ' A' ' 18' ' ' LEU . 47.7 t -65.72 -40.5 87.99 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.286 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.211 175.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.585 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . . . -61.68 -41.09 97.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.001 0.429 . . . . 0.0 110.249 176.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -60.61 -46.91 88.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.979 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.434 HD13 HG13 ' B' ' 29' ' ' VAL . 1.4 tm? -67.5 -46.26 73.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.751 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.633 ' HA ' HG13 ' A' ' 29' ' ' VAL . 18.1 ptpt -66.27 -30.06 70.41 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-O 120.685 0.278 . . . . 0.0 111.118 -176.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -73.82 -36.6 64.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.338 0.59 . . . . 0.0 109.658 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.58 -46.07 67.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.183 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.705 HG11 HD13 ' B' ' 25' ' ' LEU . 9.1 p -76.02 -23.4 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.991 0.424 . . . . 0.0 110.694 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.71 -44.04 72.54 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.219 175.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -75.64 -71.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.462 ' HG2' ' HA ' ' A' ' 29' ' ' VAL . 10.6 mmm180 . . . . . 0 C--O 1.248 1.003 0 C-N-CA 123.245 0.618 . . . . 0.0 111.895 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 112.554 -0.219 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 249' ' ' CYS . . . . . 0.417 ' HB2' ' HB ' ' D' ' 253' ' ' ILE . 82.9 m -112.85 9.83 19.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.719 0.295 . . . . 0.0 111.553 -175.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 83.2 -47.99 3.94 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.964 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -123.69 139.58 53.85 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 27.1 t 72.84 -60.71 0.53 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.395 0.678 . . . . 0.0 111.139 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 253' ' ' ILE . . . . . 0.417 ' HB ' ' HB2' ' D' ' 249' ' ' CYS . 17.9 mm -71.15 -31.26 43.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.851 0.357 . . . . 0.0 110.663 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -63.5 -43.64 96.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.693 0.759 . . . . 0.0 109.296 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -61.14 -37.21 82.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.205 175.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 256' ' ' LEU . . . . . 0.716 ' HG ' HD22 ' C' ' 260' ' ' LEU . 9.2 tt -61.55 -52.48 64.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.939 177.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 257' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -56.75 -44.52 81.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.995 0.426 . . . . 0.0 110.722 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.48 -59.03 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.592 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 259' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.16 -38.11 84.89 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.522 -1.217 . . . . 0.0 111.586 -174.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 260' ' ' LEU . . . . . 0.507 HD11 ' HG ' ' C' ' 256' ' ' LEU . 10.3 tt -60.4 -42.65 96.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.877 0.37 . . . . 0.0 110.115 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 261' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -61.69 -48.42 80.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.69 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 262' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' D' ' 266' ' ' LYS . . . -61.27 -51.82 67.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.04 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 263' ' ' GLN . . . . . 0.761 HE21 ' HA ' ' D' ' 263' ' ' GLN . 0.0 OUTLIER -53.98 -46.61 71.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.455 179.296 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -63.22 -38.82 92.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.013 0.435 . . . . 0.0 110.643 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.3 -42.24 72.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.047 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 266' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' D' ' 262' ' ' ALA . 53.0 mtpt -67.65 -30.36 69.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 110.403 178.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -65.71 -39.51 91.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.237 0.542 . . . . 0.0 110.082 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 268' ' ' LYS . . . . . 0.427 ' HA ' ' OG ' ' D' ' 271' ' ' SER . 45.6 tptt -74.16 -33.63 63.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.142 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.48 81.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.0 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 270' ' ' ILE . . . . . 0.462 HD11 HD22 ' C' ' 274' ' ' LEU . 11.9 tt -69.27 -37.71 76.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.798 -0.183 . . . . 0.0 111.361 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 271' ' ' SER . . . . . 0.427 ' OG ' ' HA ' ' D' ' 268' ' ' LYS . 11.7 p -69.98 -38.47 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.779 178.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 272' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' D' ' 275' ' ' ASP . 34.5 tp10 -63.94 -40.52 96.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.07 0.462 . . . . 0.0 109.758 172.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 273' ' ' GLU . . . . . 0.582 ' CD ' ' HA2' ' A' ' 0' ' ' GLY . 11.2 tp10 -62.51 -52.27 64.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.089 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 274' ' ' LEU . . . . . 0.459 HD11 ' HE3' ' B' ' 1' ' ' MET . 4.6 pp -63.33 -28.44 70.01 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.803 0.335 . . . . 0.0 110.76 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 275' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' D' ' 279' ' ' LYS . 15.5 t70 -59.64 -53.31 59.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.148 175.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 276' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' D' ' 272' ' ' GLU . 93.9 m-70 -73.08 -28.1 62.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.104 -177.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -63.83 -47.48 80.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.365 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 278' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -85.94 -21.75 27.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.365 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 279' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' D' ' 275' ' ' ASP . 1.7 mptm? -69.34 -31.36 69.74 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.231 0.539 . . . . 0.0 110.051 173.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -47.69 -64.7 0.72 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.49 -1.232 . . . . 0.0 113.211 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 281' ' ' MET . . . . . 0.638 ' HG2' ' N ' ' D' ' 282' ' ' THR . 0.0 OUTLIER -75.26 -57.63 3.78 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.478 -170.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 282' ' ' THR . . . . . 0.638 ' N ' ' HG2' ' D' ' 281' ' ' MET . 1.3 t 49.38 14.19 0.09 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.119 0.968 . . . . 0.0 111.89 -171.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 283' ' ' SER . . . . . 0.401 ' H ' ' C ' ' D' ' 281' ' ' MET . 20.1 m -151.19 69.59 0.95 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.875 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 284' ' ' ILE . . . . . 0.643 HD12 ' HG3' ' A' ' 8' ' ' MET . 10.0 tt . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.05 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.459 ' HE3' HD11 ' D' ' 274' ' ' LEU . 93.8 mmm -76.94 98.21 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.21 -29.93 70.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.431 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.58 -62.66 1.57 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.823 0.344 . . . . 0.0 111.251 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.464 HG12 HG13 ' A' ' 4' ' ' ILE . 1.5 tp -68.53 -35.5 70.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.734 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.766 ' HE2' ' HA ' ' B' ' 5' ' ' LYS . 0.5 OUTLIER -61.71 -52.33 64.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.454 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -69.93 -42.73 72.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.026 0.441 . . . . 0.0 110.922 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.608 ' HB3' ' OXT' ' D' ' 284' ' ' ILE . 19.4 mtmm -64.02 -40.81 97.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.476 ' HA ' ' HB3' ' B' ' 11' ' ' LEU . 12.9 ttp -58.69 -37.15 75.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.736 0.303 . . . . 0.0 110.777 176.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -56.75 -53.87 52.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.065 177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 82.7 mtp -66.8 -35.08 79.24 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.52 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.884 HD22 HD23 ' A' ' 11' ' ' LEU . 27.6 tp -57.07 -55.96 27.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.442 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -63.51 -39.92 95.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.714 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.7 mt -59.6 -37.97 79.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.93 0.395 . . . . 0.0 110.331 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.739 ' HA ' ' HD2' ' B' ' 17' ' ' HIS . 22.8 t70 -65.89 -46.46 78.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.101 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.21 -43.48 78.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.066 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -65.46 -43.04 91.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.927 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.739 ' HD2' ' HA ' ' B' ' 14' ' ' ASP . 2.1 p80 -72.97 -29.98 63.48 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.902 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.624 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.0 tm? -60.99 -49.1 78.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 175.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.86 -25.82 68.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.677 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -70.69 -48.38 54.99 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -42.2 93.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.829 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 18' ' ' LEU . 86.3 t -60.38 -49.69 83.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.929 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.93 -45.17 74.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.02 0.438 . . . . 0.0 111.061 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -67.78 -40.57 83.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.559 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.705 HD13 HG11 ' A' ' 29' ' ' VAL . 51.9 tp -67.97 -45.68 73.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.45 -177.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.618 ' HA ' HG12 ' B' ' 29' ' ' VAL . 14.0 ptmm? -71.53 -26.95 62.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.833 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -70.16 -42.19 72.83 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 172.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 tp -60.33 -53.67 54.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.688 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.618 HG12 ' HA ' ' B' ' 26' ' ' LYS . 10.9 p -64.67 -26.71 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-O 121.013 0.435 . . . . 0.0 110.564 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.72 -25.11 74.83 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.907 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.479 ' HB3' HH11 ' B' ' 32' ' ' ARG . 32.6 tt0 -81.83 -37.28 27.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.392 0.139 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.479 HH11 ' HB3' ' B' ' 31' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.802 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.976 0 CA-C-O 120.005 -0.331 . . . . 0.0 113.291 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 249' ' ' CYS . . . . . 1.019 ' HA ' HG12 ' C' ' 253' ' ' ILE . 10.2 t 63.4 -164.53 0.25 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 117.129 0.464 . . . . 0.0 111.314 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 250' ' ' GLY . . . . . 0.422 ' C ' ' H ' ' C' ' 252' ' ' SER . . . 89.37 59.09 1.58 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.028 178.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 87.4 tttt 74.33 -39.32 0.42 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.655 0.782 . . . . 0.0 111.06 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 252' ' ' SER . . . . . 0.422 ' H ' ' C ' ' C' ' 250' ' ' GLY . 22.9 t -68.13 -3.75 11.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.568 -178.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 253' ' ' ILE . . . . . 1.019 HG12 ' HA ' ' C' ' 249' ' ' CYS . 1.4 mm -65.15 -28.99 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.763 0.316 . . . . 0.0 110.311 175.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.11 -47.42 82.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.314 176.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.82 -30.89 65.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.443 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 8.8 tp -66.14 -48.42 70.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.259 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 257' ' ' GLU . . . . . 0.579 ' HG2' HD11 ' D' ' 256' ' ' LEU . 46.6 mt-10 -65.45 -36.27 83.39 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.032 0.444 . . . . 0.0 110.12 176.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -56.46 -59.52 4.86 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 121.581 0.705 . . . . 0.0 110.388 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 259' ' ' GLU . . . . . 0.46 ' OE1' HD13 ' D' ' 260' ' ' LEU . 7.8 tm-20 -66.12 -33.23 75.31 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.195 -1.366 . . . . 0.0 110.622 -176.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 260' ' ' LEU . . . . . 0.629 HD21 ' HG ' ' D' ' 256' ' ' LEU . 46.7 tp -56.2 -54.26 47.37 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.027 0.442 . . . . 0.0 110.901 174.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 261' ' ' TYR . . . . . 0.544 ' HD1' ' O ' ' C' ' 257' ' ' GLU . 32.5 m-85 -69.66 -38.85 77.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.799 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -61.97 -50.13 73.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.357 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 263' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -65.4 -36.19 83.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -63.91 -43.81 94.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.108 0.48 . . . . 0.0 109.867 176.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.71 -42.55 99.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.515 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 266' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.4 -37.43 80.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.344 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -58.68 -43.16 89.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.457 0.646 . . . . 0.0 109.882 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -66.85 -46.69 74.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.172 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.41 92.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.149 -176.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 270' ' ' ILE . . . . . 0.627 HD11 HD11 ' D' ' 270' ' ' ILE . 12.6 tt -71.33 -38.04 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.713 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 29.4 t -64.05 -37.22 86.63 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.86 -46.89 88.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.906 173.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -62.75 -46.75 86.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.079 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 274' ' ' LEU . . . . . 1.052 ' HG ' ' HE1' ' B' ' 1' ' ' MET . 8.1 mp -65.54 -34.43 78.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.813 -0.176 . . . . 0.0 110.748 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 275' ' ' ASP . . . . . 0.403 ' CG ' ' HZ2' ' C' ' 279' ' ' LYS . 24.7 t70 -56.33 -48.13 77.37 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.166 0.508 . . . . 0.0 109.823 175.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 276' ' ' HIS . . . . . 0.464 ' HA ' ' HB2' ' C' ' 279' ' ' LYS . 12.0 m170 -74.1 -24.38 59.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.552 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -67.07 -40.54 87.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.906 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 278' ' ' LEU . . . . . 0.64 HD12 ' HB ' ' A' ' 4' ' ' ILE . 2.6 mm? -86.09 -31.93 21.64 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.731 177.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 279' ' ' LYS . . . . . 0.464 ' HB2' ' HA ' ' C' ' 276' ' ' HIS . 36.1 mttp -65.59 -19.19 65.82 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.896 0.379 . . . . 0.0 110.93 173.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -50.89 -47.52 60.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.569 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 281' ' ' MET . . . . . 0.492 ' SD ' ' N ' ' C' ' 282' ' ' THR . 0.0 OUTLIER -110.04 -57.3 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.102 -174.497 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 282' ' ' THR . . . . . 0.492 ' N ' ' SD ' ' C' ' 281' ' ' MET . 57.1 p 49.37 23.09 0.79 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.6 0.76 . . . . 0.0 112.095 -174.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 78.8 p -126.3 8.29 7.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 284' ' ' ILE . . . . . 0.468 ' OXT' ' HE3' ' A' ' 7' ' ' LYS . 10.2 pt . . . . . 0 C--O 1.243 0.728 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.741 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 CA-C-O 119.36 -0.689 . . . . 0.0 113.187 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.526 ' HG2' ' HG3' ' D' ' 273' ' ' GLU . 82.8 mmm -49.36 101.18 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 117.533 0.666 . . . . 0.0 110.775 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -66.84 -34.28 77.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.099 -0.955 . . . . 0.0 113.069 -168.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.493 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -52.13 -67.3 0.26 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -176.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.64 ' HB ' HD12 ' C' ' 278' ' ' LEU . 0.0 OUTLIER -73.31 -33.56 41.26 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.998 -177.097 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.796 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -60.23 -44.7 94.99 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.89 179.207 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -64.25 -52.19 59.93 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.337 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.468 ' HE3' ' OXT' ' C' ' 284' ' ' ILE . 26.6 mtpp -65.61 -38.59 89.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.011 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.427 ' SD ' ' HG3' ' D' ' 281' ' ' MET . 24.7 ttp -57.12 -40.81 77.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.875 178.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.8 -45.12 79.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.264 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.51 -40.02 95.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.449 0.642 . . . . 0.0 110.064 177.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.72 -51.43 69.38 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.648 175.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.827 ' HA ' ' HE3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -62.18 -37.98 87.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.094 -176.537 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 14' ' ' ASP . 4.5 pp -74.28 -30.34 62.05 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.811 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.483 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 26.5 t0 -67.75 -44.1 78.3 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.554 0.692 . . . . 0.0 109.151 174.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -36.11 82.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.428 176.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -61.1 -49.92 75.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.16 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.483 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 22.0 p80 -69.48 -34.96 75.11 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 119.811 -0.755 . . . . 0.0 110.113 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.513 ' O ' HG23 ' A' ' 22' ' ' VAL . 68.1 mt -63.86 -50.2 69.74 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.735 177.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.24 -31.35 68.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.086 0.47 . . . . 0.0 110.374 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.625 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 2.4 t30 -76.16 -46.06 30.44 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -61.7 -38.93 89.67 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.24 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 18' ' ' LEU . 94.4 t -60.87 -49.03 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.2 97.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 20' ' ' ASN . 34.1 mmt180 -63.99 -43.41 95.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.705 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.1 tp -67.5 -39.86 85.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.45 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.27 -34.68 78.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.611 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -36.19 67.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.322 177.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.42 -48.38 75.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.0 p -74.25 -25.11 19.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.451 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.19 -28.56 59.99 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.136 -0.554 . . . . 0.0 111.925 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.57 -26.89 68.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.305 0.574 . . . . 0.0 109.872 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 C--O 1.249 1.037 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.327 -179.567 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 112.105 -0.398 . . . . 0.0 112.105 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 249' ' ' CYS . . . . . 0.528 ' O ' ' HB ' ' D' ' 253' ' ' ILE . 6.2 p -89.62 -16.31 30.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.819 0.342 . . . . 0.0 111.332 -177.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . -86.44 20.45 22.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.992 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -123.28 79.92 1.72 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.708 -0.29 . . . . 0.0 110.551 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 45.4 m 58.13 14.76 2.89 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.468 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 253' ' ' ILE . . . . . 0.552 HD12 HD11 ' C' ' 253' ' ' ILE . 20.2 mm -78.93 -28.93 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.605 0.241 . . . . 0.0 110.815 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -67.23 -40.64 86.38 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.91 -47.57 74.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.556 174.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 256' ' ' LEU . . . . . 0.629 ' HG ' HD21 ' C' ' 260' ' ' LEU . 10.5 tt -57.51 -51.51 69.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.813 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 257' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -70.7 -25.69 63.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.775 0.321 . . . . 0.0 110.261 -177.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.33 -53.89 48.51 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.195 0.522 . . . . 0.0 110.224 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 259' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' D' ' 263' ' ' GLN . 5.3 pt-20 -76.99 -23.01 52.3 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.491 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 260' ' ' LEU . . . . . 0.634 ' HG ' ' HZ3' ' D' ' 264' ' ' LYS . 34.6 tp -66.46 -35.45 80.31 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 261' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -44.11 97.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.284 173.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.84 95.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.75 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 263' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' D' ' 259' ' ' GLU . 15.3 mm100 -53.71 -46.1 70.64 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.204 0.315 . . . . 0.0 111.259 176.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 264' ' ' LYS . . . . . 0.634 ' HZ3' ' HG ' ' D' ' 260' ' ' LEU . 14.0 mptt -51.86 -51.47 56.45 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.147 0.499 . . . . 0.0 110.478 175.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.5 -42.06 92.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.302 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 266' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -63.1 -43.63 97.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.578 0.228 . . . . 0.0 111.482 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -61.61 -44.65 96.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.123 0.487 . . . . 0.0 109.783 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -67.54 -41.69 83.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.519 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -58.66 -46.1 87.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.677 -177.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 270' ' ' ILE . . . . . 0.627 HD11 HD11 ' C' ' 270' ' ' ILE . 0.0 OUTLIER -72.09 -35.04 52.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.419 -178.581 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 39.2 m -64.33 -46.77 82.07 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.177 0.513 . . . . 0.0 110.334 176.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.79 -36.5 84.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.608 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 273' ' ' GLU . . . . . 0.526 ' HG3' ' HG2' ' A' ' 1' ' ' MET . 10.1 tp10 -57.18 -61.47 2.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.384 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 274' ' ' LEU . . . . . 0.557 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 4.2 pp -58.16 -38.26 76.27 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.806 0.336 . . . . 0.0 111.0 -176.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 275' ' ' ASP . . . . . 0.45 ' N ' HD13 ' D' ' 274' ' ' LEU . 19.8 t70 -63.43 -52.25 62.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 178.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -67.16 -38.07 84.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.969 -176.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.95 88.5 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -175.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 278' ' ' LEU . . . . . 0.503 HD12 ' HE3' ' D' ' 281' ' ' MET . 4.4 mm? -81.79 -27.98 33.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.087 0.47 . . . . 0.0 111.676 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -84.05 -17.9 38.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.979 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -46.0 68.06 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.411 -177.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 281' ' ' MET . . . . . 0.503 ' HE3' HD12 ' D' ' 278' ' ' LEU . 0.0 OUTLIER -94.71 -35.65 12.06 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.236 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 282' ' ' THR . . . . . 0.554 ' O ' ' HE2' ' B' ' 7' ' ' LYS . 62.9 m 70.39 -57.74 0.57 Allowed 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.011 0.819 . . . . 0.0 111.525 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 24.1 m -98.15 75.02 2.28 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.303 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 284' ' ' ILE . . . . . 0.417 HD12 HD12 ' A' ' 4' ' ' ILE . 3.7 tt . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.532 -0.747 . . . . 0.0 109.462 170.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 1.052 ' HE1' ' HG ' ' C' ' 274' ' ' LEU . 75.9 mtm -135.35 98.98 4.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.921 0.391 . . . . 0.0 110.553 176.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -85.48 -19.63 30.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.313 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -45.03 -58.29 3.28 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.658 0.599 . . . . 0.0 111.914 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.72 -49.35 82.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.3 -179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.404 ' HA ' ' HB3' ' B' ' 8' ' ' MET . 0.0 OUTLIER -67.98 -33.07 73.93 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -173.485 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -71.86 -48.38 46.37 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.554 ' HE2' ' O ' ' D' ' 282' ' ' THR . 17.4 mtpp -69.33 -32.75 72.06 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.404 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 2.6 ttt -55.61 -42.35 74.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.864 172.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -63.14 -43.7 97.61 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 44.7 mtt -62.49 -47.15 85.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.509 0.671 . . . . 0.0 109.747 174.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.2 tp -52.78 -57.72 9.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.218 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -64.31 -40.91 96.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.812 -175.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.79 -38.69 89.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.965 0.412 . . . . 0.0 110.332 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.705 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 17.9 t70 -64.81 -47.02 79.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.997 176.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -38.11 85.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.124 178.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -70.89 -32.16 69.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.705 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 6.8 p80 -77.85 -24.78 48.48 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.408 174.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.555 ' O ' HG22 ' B' ' 22' ' ' VAL . 55.6 mt -69.59 -51.53 34.39 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.592 175.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -30.59 71.69 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.743 0.306 . . . . 0.0 110.585 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -63.26 -46.98 84.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.277 0.56 . . . . 0.0 109.671 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -62.51 -43.98 97.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.647 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.555 HG22 ' O ' ' B' ' 18' ' ' LEU . 87.1 t -56.85 -44.62 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.944 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.89 -45.47 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.7 -27.53 61.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.79 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 44.8 tp -68.88 -49.58 57.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.463 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.545 ' HE3' HG12 ' B' ' 22' ' ' VAL . 18.8 ptpt -70.62 -19.72 62.8 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.944 0.402 . . . . 0.0 110.286 178.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -67.41 -47.67 69.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.467 172.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' B' ' 31' ' ' GLU . 7.6 tt -65.89 -47.4 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.168 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.3 -32.2 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.68 -33.3 86.88 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.569 175.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' B' ' 28' ' ' LEU . 45.5 mm-40 -65.9 -19.49 65.89 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.733 0.413 . . . . 0.0 110.789 174.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' B' ' 28' ' ' LEU . 15.9 mmt180 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.3 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.13 -0.388 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 249' ' ' CYS . . . . . 0.469 ' HA ' ' CG1' ' C' ' 253' ' ' ILE . 7.8 p -90.18 85.3 6.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.184 0.516 . . . . 0.0 110.664 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . -154.88 -47.85 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.231 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -131.19 -47.36 1.0 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 252' ' ' SER . . . . . 0.515 ' O ' ' HB2' ' C' ' 256' ' ' LEU . 15.8 m -67.44 -20.21 65.47 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -175.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 253' ' ' ILE . . . . . 0.469 ' CG1' ' HA ' ' C' ' 249' ' ' CYS . 13.5 mm -81.0 -25.0 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.607 -175.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -61.62 -50.75 71.32 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.43 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -78.84 -19.37 52.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.447 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . 0.515 ' HB2' ' O ' ' C' ' 252' ' ' SER . 1.4 tt -67.74 -49.18 63.92 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 257' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.78 -39.12 87.69 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -52.71 -52.83 54.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.893 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 259' ' ' GLU . . . . . 0.433 ' OE2' ' HE2' ' D' ' 264' ' ' LYS . 29.1 tt0 -70.49 -32.27 69.71 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.176 -177.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 260' ' ' LEU . . . . . 0.815 ' HA ' HD12 ' D' ' 260' ' ' LEU . 26.2 tp -54.74 -54.09 46.56 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.002 0.429 . . . . 0.0 110.002 175.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 261' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' C' ' 265' ' ' LEU . 53.0 t80 -60.01 -48.38 81.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.759 178.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 262' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' C' ' 266' ' ' LYS . . . -59.49 -42.17 91.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.077 -177.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 263' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -67.41 -54.11 23.28 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 264' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' C' ' 260' ' ' LEU . 17.6 ptpt -68.78 -30.87 69.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.942 -176.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 265' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' C' ' 265' ' ' LEU . 3.7 mm? -72.53 -39.87 67.21 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.295 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 266' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' C' ' 262' ' ' ALA . 4.9 ptpp? -73.03 -19.78 61.12 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.003 177.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 267' ' ' TYR . . . . . 0.423 ' HA ' HG23 ' C' ' 270' ' ' ILE . 76.0 t80 -65.46 -44.75 86.23 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 171.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -64.41 -41.8 96.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.163 0.506 . . . . 0.0 109.647 174.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 269' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' C' ' 266' ' ' LYS . . . -64.96 -40.34 94.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.946 -178.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 270' ' ' ILE . . . . . 0.708 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 8.5 tt -73.36 -33.15 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 110.718 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 42.4 t -64.49 -46.4 83.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.203 0.525 . . . . 0.0 109.632 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -59.98 -42.76 94.88 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.562 172.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 273' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' C' ' 270' ' ' ILE . 11.4 tp10 -55.11 -57.72 10.59 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.01 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 274' ' ' LEU . . . . . 0.755 ' HB3' ' HE1' ' A' ' 1' ' ' MET . 54.1 mt -55.92 -42.08 75.52 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 123.278 0.361 . . . . 0.0 111.237 -175.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 275' ' ' ASP . . . . . 0.608 ' O ' ' HB2' ' C' ' 279' ' ' LYS . 32.8 t70 -58.36 -58.78 6.97 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -71.69 -19.28 62.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.391 -177.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -63.71 -47.48 80.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.825 0.345 . . . . 0.0 110.496 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 278' ' ' LEU . . . . . 0.566 ' CD1' ' HB ' ' A' ' 4' ' ' ILE . 3.8 mm? -87.68 -25.49 23.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.139 0.495 . . . . 0.0 111.178 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 279' ' ' LYS . . . . . 0.608 ' HB2' ' O ' ' C' ' 275' ' ' ASP . 1.2 tmtm? -66.69 -20.09 65.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.438 0.637 . . . . 0.0 109.533 172.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.72 -39.12 61.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.868 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 281' ' ' MET . . . . . 0.57 ' SD ' ' HE2' ' B' ' 5' ' ' LYS . 0.6 OUTLIER -111.35 -67.05 1.02 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.182 -165.509 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 282' ' ' THR . . . . . 0.512 ' H ' ' HG2' ' C' ' 281' ' ' MET . 40.2 m 71.43 -37.23 0.39 Allowed 'General case' 0 CA--C 1.536 0.411 0 O-C-N 123.362 0.414 . . . . 0.0 111.089 -170.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 283' ' ' SER . . . . . 0.528 ' H ' ' C ' ' C' ' 281' ' ' MET . 7.9 m -89.9 79.67 6.59 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.398 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 284' ' ' ILE . . . . . 0.655 HD11 HD11 ' D' ' 284' ' ' ILE . 4.9 tt . . . . . 0 C--N 1.32 -0.681 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 171.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.7 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.755 ' HE1' ' HB3' ' C' ' 274' ' ' LEU . 40.4 tpp -140.95 50.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.632 0.729 . . . . 0.0 109.277 175.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.628 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 59.2 m-20 -57.45 -18.4 18.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.168 -177.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.53 -70.28 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.579 172.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.643 HG23 ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -70.84 -33.38 52.11 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.545 178.183 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.628 ' HB2' ' HA ' ' A' ' 2' ' ' ASP . 10.5 mmmm -59.92 -45.1 93.67 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.828 -177.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.477 ' O ' ' HB3' ' A' ' 9' ' ' GLN . 61.3 tttp -79.66 -32.01 41.49 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.952 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.528 ' HB3' ' O ' ' C' ' 284' ' ' ILE . 20.6 mtpp -65.74 -39.56 91.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 174.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.406 ' HE2' ' HB3' ' A' ' 8' ' ' MET . 15.1 ttp -59.65 -38.3 81.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.363 174.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.552 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 54.6 tt0 -55.27 -54.81 38.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.192 176.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.441 ' HA ' HD13 ' A' ' 13' ' ' LEU . 87.0 mtp -65.02 -36.48 84.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.844 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.47 HD23 HD21 ' B' ' 11' ' ' LEU . 55.8 tp -57.93 -49.08 77.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.651 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -67.53 -32.66 73.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.978 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 9' ' ' GLN . 92.0 mt -59.63 -40.7 88.48 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.243 0.544 . . . . 0.0 110.366 176.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.537 ' HA ' ' HD2' ' A' ' 17' ' ' HIS . 2.4 t70 -65.06 -41.72 94.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.621 177.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -34.99 79.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.976 177.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.407 ' HD2' ' HA ' ' A' ' 13' ' ' LEU . 13.7 m-85 -61.1 -49.48 77.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.26 178.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.537 ' HD2' ' HA ' ' A' ' 14' ' ' ASP . 13.8 p80 -70.36 -25.25 63.19 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.3 -178.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.1 mt -71.69 -49.22 41.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.326 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.472 ' HA ' HG12 ' A' ' 22' ' ' VAL . 32.2 tt0 -62.49 -46.49 88.23 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.504 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.77 -40.74 84.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.448 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.18 -46.3 67.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.315 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.514 ' HB ' HG21 ' B' ' 22' ' ' VAL . 12.1 p -66.68 -34.85 72.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.28 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.51 98.53 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.391 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -57.59 -45.82 84.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.5 tp -72.46 -39.61 67.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.534 ' HE2' HD23 ' B' ' 25' ' ' LEU . 71.7 mmtt -58.43 -42.66 87.79 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.19 0.519 . . . . 0.0 109.884 173.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -43.62 95.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.887 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -63.55 -51.19 66.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.979 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.496 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 11.5 p -70.82 -22.76 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.939 0.399 . . . . 0.0 111.177 -177.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.76 -19.62 57.65 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.06 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.1 -39.83 65.47 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.601 0.36 . . . . 0.0 111.132 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.554 ' O ' ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.903 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.555 177.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.204 -0.358 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 249' ' ' CYS . . . . . . . . . . . . . 51.0 t -158.38 -41.7 0.06 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.944 0.402 . . . . 0.0 110.717 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 105.53 33.89 3.48 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.581 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -157.79 -93.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 43.4 m -122.73 -17.43 6.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.713 -175.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 253' ' ' ILE . . . . . 0.403 HD12 HD12 ' D' ' 256' ' ' LEU . 1.7 mm -63.26 -33.28 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.385 0.612 . . . . 0.0 110.218 175.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.1 -40.3 90.65 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.449 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 255' ' ' ASP . . . . . 0.449 ' O ' ' HB3' ' D' ' 258' ' ' ASP . 7.1 t70 -66.77 -34.72 78.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.334 175.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 256' ' ' LEU . . . . . 0.506 HD21 HD22 ' C' ' 260' ' ' LEU . 7.3 tt -60.6 -46.05 91.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.025 178.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 257' ' ' GLU . . . . . 0.435 ' HA ' ' HB3' ' D' ' 260' ' ' LEU . 0.7 OUTLIER -70.7 -27.26 63.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.308 179.265 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 258' ' ' ASP . . . . . 0.449 ' HB3' ' O ' ' D' ' 255' ' ' ASP . 30.1 t70 -56.25 -53.9 51.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.06 0.457 . . . . 0.0 110.248 175.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 259' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' D' ' 263' ' ' GLN . 9.8 pt-20 -76.99 -30.32 55.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.998 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 260' ' ' LEU . . . . . 1.027 ' HG ' ' HE3' ' D' ' 264' ' ' LYS . 37.9 tp -61.37 -46.74 88.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 261' ' ' TYR . . . . . 0.787 ' HA ' ' HD2' ' D' ' 264' ' ' LYS . 63.2 t80 -63.97 -36.33 83.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.948 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.79 91.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.168 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 263' ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' D' ' 259' ' ' GLU . 27.3 mm-40 -58.2 -43.65 87.69 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.518 175.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 264' ' ' LYS . . . . . 1.027 ' HE3' ' HG ' ' D' ' 260' ' ' LEU . 90.4 mttt -58.69 -46.46 87.21 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.792 177.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.98 -48.15 83.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.185 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 266' ' ' LYS . . . . . 0.776 ' HA ' ' HE2' ' D' ' 266' ' ' LYS . 10.4 mmpt? -63.18 -40.86 98.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.929 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -63.8 -39.18 93.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.612 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 268' ' ' LYS . . . . . 0.541 ' HB3' ' HZ2' ' D' ' 268' ' ' LYS . 5.0 ttpm? -67.18 -38.76 85.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.079 0.466 . . . . 0.0 110.123 177.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -68.07 -42.72 80.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.79 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 270' ' ' ILE . . . . . 0.494 HD11 HD13 ' C' ' 270' ' ' ILE . 9.4 tt -73.54 -37.69 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.223 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 20.8 p -66.92 -41.52 86.94 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.049 178.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -56.43 -45.65 80.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.012 171.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.9 -47.31 85.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.484 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 274' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' D' ' 270' ' ' ILE . 62.6 mt -67.41 -44.86 77.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.767 0.318 . . . . 0.0 110.541 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -57.85 -48.77 78.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.125 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.78 -37.07 86.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.548 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -76.13 -35.17 59.36 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -176.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 278' ' ' LEU . . . . . 0.631 HD12 ' HB ' ' B' ' 4' ' ' ILE . 3.7 mm? -86.81 -30.27 21.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 279' ' ' LYS . . . . . 0.573 ' HZ2' ' HB3' ' D' ' 279' ' ' LYS . 10.4 mtpm? -80.56 -18.29 48.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.982 0.42 . . . . 0.0 110.027 174.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -37.56 -67.2 0.2 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.696 -1.138 . . . . 0.0 113.443 175.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 281' ' ' MET . . . . . 0.682 ' HE2' HG23 ' D' ' 284' ' ' ILE . 0.0 OUTLIER -80.73 -42.15 22.37 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -169.376 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 282' ' ' THR . . . . . . . . . . . . . 46.3 p 59.27 -28.1 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.343 1.057 . . . . 0.0 113.188 -170.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 283' ' ' SER . . . . . 0.571 ' H ' ' C ' ' D' ' 281' ' ' MET . 49.6 m -92.78 85.68 5.28 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.165 0.507 . . . . 0.0 110.772 175.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 284' ' ' ILE . . . . . 0.682 HG23 ' HE2' ' D' ' 281' ' ' MET . 4.3 tt . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 CA-C-O 119.789 -0.451 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.7 mtp 58.5 90.54 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.143 0.577 . . . . 0.0 110.559 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.12 -31.93 65.81 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.45 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -47.03 -75.38 0.03 OUTLIER 'General case' 0 C--O 1.238 0.488 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.631 ' HB ' HD12 ' D' ' 278' ' ' LEU . 0.0 OUTLIER -69.04 -25.21 29.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.217 -176.225 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.57 ' HE2' ' SD ' ' C' ' 281' ' ' MET . 0.0 OUTLIER -78.02 -39.34 42.39 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.239 -0.585 . . . . 0.0 112.125 -173.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -66.28 -44.11 84.49 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.439 ' HE3' ' CG2' ' D' ' 284' ' ' ILE . 22.1 mtpp -66.18 -41.96 89.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.726 177.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.667 ' HE1' ' HD2' ' B' ' 12' ' ' LYS . 7.4 ttt -49.71 -46.65 50.41 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.349 0.406 . . . . 0.0 111.466 175.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -64.3 -42.8 96.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.975 0.416 . . . . 0.0 110.275 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 77.0 mtp -63.56 -37.42 87.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.363 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.47 HD21 HD23 ' A' ' 11' ' ' LEU . 37.5 tp -67.9 -40.39 83.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.248 178.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.667 ' HD2' ' HE1' ' B' ' 8' ' ' MET . 60.2 mtpt -60.46 -45.78 92.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.816 0.341 . . . . 0.0 110.133 177.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.45 -34.47 78.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.251 176.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.633 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 8.0 t70 -63.82 -52.06 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.289 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -59.08 -34.45 71.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.046 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -59.23 -50.85 72.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.05 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.633 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 21.3 p80 -73.59 -24.43 60.06 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.526 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.5 ' O ' HG23 ' B' ' 22' ' ' VAL . 95.3 mt -67.32 -48.19 68.31 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 174.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.0 -44.13 97.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.354 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.522 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 95.4 m-20 -59.76 -44.2 93.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.702 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -55.53 -54.9 38.17 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.297 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.514 HG21 ' HB ' ' A' ' 22' ' ' VAL . 58.5 t -59.38 -43.14 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.821 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.81 -46.83 86.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.551 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' B' ' 20' ' ' ASN . 11.3 mmp_? -65.12 -35.28 80.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.534 HD23 ' HE2' ' A' ' 26' ' ' LYS . 47.9 tp -69.31 -41.9 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.449 ' HE3' ' CG1' ' B' ' 22' ' ' VAL . 96.7 mttt -66.55 -28.68 68.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.477 177.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.469 ' O ' ' HD2' ' B' ' 27' ' ' LYS . 0.4 OUTLIER -71.28 -45.71 62.52 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.807 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 tp -54.21 -53.3 55.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.337 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.06 -33.77 16.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.171 -177.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.77 -19.63 79.83 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.889 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -63.41 -22.43 66.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.973 0.416 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.43 177.295 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 248' ' ' GLY . . . . . 0.465 ' HA2' ' SG ' ' D' ' 249' ' ' CYS . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 249' ' ' CYS . . . . . 0.499 ' SG ' HG21 ' C' ' 253' ' ' ILE . 50.3 m -98.64 5.22 47.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.87 0.366 . . . . 0.0 110.449 178.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . 142.03 -104.93 0.39 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.746 -175.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -108.07 148.04 30.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 28.8 m 71.54 -55.79 0.65 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.724 0.64 . . . . 0.0 111.795 178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 253' ' ' ILE . . . . . 0.499 HG21 ' SG ' ' C' ' 249' ' ' CYS . 26.5 mm -55.38 -31.27 27.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 122.833 0.453 . . . . 0.0 112.016 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.69 -50.62 49.51 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.868 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.7 -38.16 80.83 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.041 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . 0.498 HD12 HD12 ' C' ' 253' ' ' ILE . 82.5 mt -62.92 -56.49 16.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.932 177.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 257' ' ' GLU . . . . . 0.596 ' HG3' ' HG ' ' D' ' 249' ' ' CYS . 11.1 tm-20 -53.44 -44.69 69.04 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.15 -176.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.36 -48.18 80.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 259' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' C' ' 263' ' ' GLN . 3.2 pt-20 -73.63 -26.28 60.7 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.631 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 260' ' ' LEU . . . . . 0.54 ' HB2' HD11 ' D' ' 260' ' ' LEU . 65.9 tp -57.05 -47.93 79.75 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -61.08 -47.03 88.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.908 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.29 82.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.61 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 263' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' C' ' 259' ' ' GLU . 63.6 mm-40 -54.53 -60.2 3.67 Favored 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.438 0.461 . . . . 0.0 111.669 -178.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 264' ' ' LYS . . . . . 0.644 ' HB3' ' HZ1' ' C' ' 264' ' ' LYS . 0.7 OUTLIER -64.93 -29.19 70.12 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -172.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.54 -42.33 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.552 0.215 . . . . 0.0 111.322 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 266' ' ' LYS . . . . . 0.428 ' HE2' ' CZ ' ' D' ' 267' ' ' TYR . 19.9 ptmt -80.74 -26.6 37.26 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.566 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -66.49 -37.64 85.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.351 0.596 . . . . 0.0 109.422 173.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -69.36 -38.3 78.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.712 173.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.33 74.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.687 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 270' ' ' ILE . . . . . 0.652 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 2.6 tt -63.06 -42.45 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.705 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 41.1 m -63.51 -38.64 91.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.612 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -58.86 -46.97 86.52 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.151 0.501 . . . . 0.0 110.002 174.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -57.68 -49.37 76.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.646 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 274' ' ' LEU . . . . . 0.681 ' HB3' ' HE1' ' A' ' 1' ' ' MET . 47.4 mt -65.33 -44.04 89.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.977 -177.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.0 -48.76 72.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.657 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -67.42 -44.54 78.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.014 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.22 96.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.387 -177.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 278' ' ' LEU . . . . . 0.474 ' HG ' ' HB1' ' A' ' 3' ' ' ALA . 4.6 mm? -85.51 -19.66 30.84 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.973 -176.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -76.37 -27.73 56.5 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -44.23 -57.51 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.4 -1.273 . . . . 0.0 113.654 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 281' ' ' MET . . . . . 0.707 ' HG3' HG23 ' C' ' 284' ' ' ILE . 0.0 OUTLIER -81.26 -47.82 12.86 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.463 -172.123 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 282' ' ' THR . . . . . 0.699 ' H ' ' HG2' ' C' ' 281' ' ' MET . 7.3 m 71.8 -45.33 0.62 Allowed 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.847 -1.07 . . . . 0.0 112.449 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 39.8 m -119.09 71.61 0.86 Allowed 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 120.844 0.354 . . . . 0.0 111.604 -176.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 284' ' ' ILE . . . . . 0.707 HG23 ' HG3' ' C' ' 281' ' ' MET . 29.9 pt . . . . . 0 C--O 1.252 1.198 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.901 168.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 112.744 -0.142 . . . . 0.0 112.744 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.876 ' HB3' ' HZ2' ' A' ' 5' ' ' LYS . 51.7 tpp -92.04 75.71 5.49 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 117.333 0.567 . . . . 0.0 109.59 176.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 4.8 p-10 -78.94 -21.56 47.05 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.55 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.474 ' HB1' ' HG ' ' C' ' 278' ' ' LEU . . . -53.24 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.229 -176.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.587 HD12 ' HB ' ' B' ' 4' ' ' ILE . 0.6 OUTLIER -69.58 -36.48 71.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.625 -178.022 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.876 ' HZ2' ' HB3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -62.16 -45.34 93.85 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.349 -0.54 . . . . 0.0 112.08 -176.7 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 12.4 mptt -71.79 -34.95 69.83 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.545 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -63.76 -42.0 97.89 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.692 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.611 ' SD ' ' HE3' ' D' ' 281' ' ' MET . 19.0 ttp -55.71 -46.43 77.72 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 120.719 0.295 . . . . 0.0 110.99 177.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -58.72 -52.63 64.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.955 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.1 ttm -59.77 -40.32 87.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.235 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.4 HD12 ' C ' ' C' ' 284' ' ' ILE . 8.1 tt -59.6 -57.51 12.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.812 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' A' ' 12' ' ' LYS . 13.4 mmmm -66.9 -36.21 81.75 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.179 -176.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.54 -43.0 97.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.015 0.436 . . . . 0.0 109.862 173.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.751 ' HA ' ' ND1' ' A' ' 17' ' ' HIS . 28.1 t0 -65.57 -42.28 91.98 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.098 177.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -39.1 84.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.395 177.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -61.28 -39.24 89.68 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.751 ' ND1' ' HA ' ' A' ' 14' ' ' ASP . 7.1 m80 -62.89 -56.65 15.39 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.479 ' O ' HG21 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -52.28 -48.6 65.23 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.378 -1.283 . . . . 0.0 111.197 -179.267 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -54.96 -54.48 42.3 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 122.923 0.489 . . . . 0.0 110.779 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.22 -33.77 76.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.855 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.74 -46.03 87.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.337 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.694 HG22 ' HB ' ' B' ' 22' ' ' VAL . 80.5 t -60.46 -43.53 94.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.49 -48.84 80.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.924 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -58.47 -47.34 84.38 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.856 HD13 HG11 ' B' ' 29' ' ' VAL . 19.3 tp -65.9 -42.35 90.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.149 -175.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -59.03 -41.27 87.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.893 0.378 . . . . 0.0 111.047 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -69.25 -44.96 70.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.056 0.455 . . . . 0.0 110.107 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.37 -49.0 78.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.78 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.667 HG13 HD12 ' B' ' 25' ' ' LEU . 11.5 p -64.08 -36.09 75.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.937 -177.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.25 -19.48 76.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.986 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -76.69 -23.42 53.17 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.518 ' HB2' ' NH2' ' B' ' 32' ' ' ARG . 5.4 mpt_? . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.505 -0.759 . . . . 0.0 109.975 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.843 -0.503 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 249' ' ' CYS . . . . . 0.596 ' HG ' ' HG3' ' C' ' 257' ' ' GLU . 76.7 m 65.62 8.34 5.07 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.956 0.502 . . . . 0.0 111.782 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 104.41 -86.31 0.51 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.071 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -174.66 172.16 3.1 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 25.1 m 58.66 29.87 19.15 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.791 0.682 . . . . 0.0 110.783 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 253' ' ' ILE . . . . . 0.475 ' HA ' HD13 ' D' ' 256' ' ' LEU . 10.1 tp -65.09 -26.82 40.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.624 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.76 -40.76 84.03 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.185 0.517 . . . . 0.0 110.183 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.18 -34.98 73.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.812 175.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 256' ' ' LEU . . . . . 0.49 ' O ' ' HB2' ' D' ' 260' ' ' LEU . 71.9 mt -60.31 -43.38 96.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.599 176.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 257' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' D' ' 253' ' ' ILE . 47.0 mt-10 -59.59 -46.17 89.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.955 0.407 . . . . 0.0 110.301 175.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -57.17 -56.01 27.33 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.095 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 259' ' ' GLU . . . . . 0.747 ' O ' ' HG2' ' D' ' 263' ' ' GLN . 7.1 pt-20 -67.2 -31.41 71.78 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.743 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 260' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' C' ' 260' ' ' LEU . 8.5 tt -55.55 -55.48 31.41 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.038 0.447 . . . . 0.0 110.412 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 261' ' ' TYR . . . . . 0.447 ' O ' ' HG ' ' D' ' 265' ' ' LEU . 54.7 m-85 -55.66 -46.23 77.57 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.693 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -57.98 -42.1 84.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.377 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 263' ' ' GLN . . . . . 0.747 ' HG2' ' O ' ' D' ' 259' ' ' GLU . 28.5 mm-40 -49.13 -62.32 1.59 Allowed 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.222 0.326 . . . . 0.0 111.206 178.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 264' ' ' LYS . . . . . 0.462 ' HE2' HD22 ' D' ' 260' ' ' LEU . 0.1 OUTLIER -77.38 -20.81 54.17 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 119.666 -0.814 . . . . 0.0 111.701 -174.383 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 265' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' D' ' 261' ' ' TYR . 50.0 mt -66.82 -46.23 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.099 173.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 266' ' ' LYS . . . . . 0.462 ' HA ' ' HE2' ' D' ' 266' ' ' LYS . 11.1 mmpt? -69.09 -35.94 77.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.054 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 267' ' ' TYR . . . . . 0.428 ' CZ ' ' HE2' ' C' ' 266' ' ' LYS . 72.0 t80 -60.93 -46.09 92.07 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.168 0.509 . . . . 0.0 110.339 177.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.77 -45.19 93.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.25 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.76 97.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.112 -177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 270' ' ' ILE . . . . . 0.646 ' O ' ' HG ' ' D' ' 274' ' ' LEU . 14.0 tt -69.37 -38.42 77.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.04 -177.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 46.6 t -66.07 -38.02 87.27 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.45 -42.24 98.45 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.94 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 273' ' ' GLU . . . . . 0.558 ' HG3' ' N ' ' D' ' 274' ' ' LEU . 0.0 OUTLIER -68.36 -37.49 80.5 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.6 -179.371 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 274' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' D' ' 270' ' ' ILE . 77.5 mt -54.53 -49.94 69.04 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.409 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 275' ' ' ASP . . . . . 0.471 ' O ' ' HD3' ' D' ' 279' ' ' LYS . 20.4 t70 -70.37 -50.04 42.92 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.398 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -55.48 -52.24 64.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.356 -177.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 277' ' ' ALA . . . . . 0.692 ' CB ' ' HZ3' ' A' ' 5' ' ' LYS . . . -70.48 -45.97 64.66 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -173.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 278' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.57 -23.54 65.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.022 0.439 . . . . 0.0 110.646 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 279' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' D' ' 275' ' ' ASP . 1.6 mptm? -85.67 -24.22 27.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.882 174.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -63.81 -51.1 66.27 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 121.827 0.822 . . . . 0.0 109.567 171.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 281' ' ' MET . . . . . 0.611 ' HE3' ' SD ' ' A' ' 8' ' ' MET . 12.9 ptm -86.09 47.87 1.52 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.242 -1.344 . . . . 0.0 111.708 -172.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 282' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.93 31.18 0.05 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.131 0.491 . . . . 0.0 111.383 174.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 283' ' ' SER . . . . . 0.541 ' H ' ' C ' ' D' ' 281' ' ' MET . 7.1 p -130.25 10.94 5.39 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.687 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 284' ' ' ILE . . . . . 0.865 HG13 HD23 ' B' ' 11' ' ' LEU . 5.5 tt . . . . . 0 C--O 1.242 0.707 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 171.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.412 ' SD ' HD21 ' C' ' 274' ' ' LEU . 63.5 mtp -124.94 91.59 3.47 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -62.23 -31.7 72.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.019 -174.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -44.95 -68.97 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.921 0.763 . . . . 0.0 111.476 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.587 ' HB ' HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -58.86 -33.51 49.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.928 -178.408 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -70.35 -52.76 20.27 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -171.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 36.5 tttp -73.46 -30.87 63.45 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.139 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.727 ' HE3' HG21 ' D' ' 284' ' ' ILE . 26.6 mtpp -68.02 -39.01 83.22 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 174.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.59 ' SD ' ' HE2' ' C' ' 281' ' ' MET . 1.4 ttt -55.73 -45.79 77.91 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.587 172.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -56.38 -50.1 72.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.464 -176.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 36.2 ttm -69.67 -35.13 74.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.537 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.865 HD23 HG13 ' D' ' 284' ' ' ILE . 61.1 tp -61.97 -50.7 71.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.188 176.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.834 ' HE2' ' HA ' ' B' ' 12' ' ' LYS . 10.0 mmpt? -66.53 -37.24 84.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.778 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.88 -39.67 86.09 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.06 0.457 . . . . 0.0 110.086 173.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.777 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 20.5 t70 -65.6 -45.84 81.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.318 176.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.94 -44.15 97.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.95 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -70.17 -35.66 74.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.777 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 8.2 p80 -70.26 -29.83 66.72 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.774 178.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 53.8 tp -73.06 -40.69 64.86 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.886 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.36 -42.76 99.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.08 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -61.41 -41.44 97.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.036 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -55.52 -55.41 32.23 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.978 176.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.694 ' HB ' HG22 ' A' ' 22' ' ' VAL . 11.5 p -71.11 -29.13 35.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.186 -176.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.97 -48.46 73.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.719 0.295 . . . . 0.0 110.754 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -65.76 -37.14 85.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.038 0.447 . . . . 0.0 110.557 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.667 HD12 HG13 ' A' ' 29' ' ' VAL . 21.3 tp -67.4 -43.76 80.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.31 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.421 ' HA ' HG13 ' B' ' 29' ' ' VAL . 85.7 mttt -63.38 -29.22 70.56 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.095 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -69.47 -46.37 66.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.213 0.53 . . . . 0.0 109.853 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -66.06 -52.71 46.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.073 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.856 HG11 HD13 ' A' ' 25' ' ' LEU . 7.3 p -73.58 -24.04 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.001 0.429 . . . . 0.0 110.641 -178.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.67 -24.8 71.52 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.027 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.79 -37.54 79.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.07 0.462 . . . . 0.0 109.921 174.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.518 ' NH2' ' HB2' ' A' ' 32' ' ' ARG . 4.4 ptm180 . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.695 178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.366 -0.294 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 249' ' ' CYS . . . . . 0.703 ' HA ' HG13 ' C' ' 253' ' ' ILE . 5.1 p -155.61 150.85 26.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.644 0.259 . . . . 0.0 110.963 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . 159.05 -135.81 4.38 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.679 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -103.43 -25.52 13.23 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 25.3 p -69.23 -13.39 62.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.634 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 253' ' ' ILE . . . . . 0.703 HG13 ' HA ' ' C' ' 249' ' ' CYS . 13.0 mm -72.86 -29.89 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.376 175.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.54 -48.47 81.64 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 171.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.78 -38.21 87.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.97 177.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . 0.707 HD11 HD22 ' D' ' 260' ' ' LEU . 37.8 tp -49.73 -56.21 11.04 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.458 177.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 257' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.49 -49.67 72.66 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.177 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.49 -53.15 60.87 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.632 0.729 . . . . 0.0 110.66 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 259' ' ' GLU . . . . . 0.508 ' HG3' HD11 ' D' ' 260' ' ' LEU . 3.6 tp10 -65.96 -39.21 90.23 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.31 -177.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 260' ' ' LEU . . . . . 0.451 ' CD2' ' HG ' ' D' ' 256' ' ' LEU . 48.4 tp -59.24 -48.73 80.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.482 0.182 . . . . 0.0 110.79 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -62.4 -45.36 93.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.652 0.263 . . . . 0.0 110.512 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -62.14 -50.52 71.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.623 -178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 263' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -69.64 -38.04 77.0 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -66.46 -35.36 80.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.842 0.353 . . . . 0.0 110.407 -178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.51 -43.87 88.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.301 174.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 266' ' ' LYS . . . . . 0.464 ' O ' HG21 ' C' ' 270' ' ' ILE . 63.6 mttp -62.99 -39.81 95.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.69 177.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.56 -45.08 89.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.607 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -71.49 -38.67 71.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.321 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -56.28 -52.22 65.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.56 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 270' ' ' ILE . . . . . 0.485 ' O ' HD13 ' C' ' 274' ' ' LEU . 2.9 tt -66.94 -43.49 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.051 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 56.8 m -61.24 -45.3 95.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.674 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -55.06 -44.99 75.28 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 273' ' ' GLU . . . . . 0.42 ' HG3' ' HA2' ' B' ' 0' ' ' GLY . 13.7 tp10 -66.84 -37.2 84.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.569 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 274' ' ' LEU . . . . . 0.485 HD13 ' O ' ' C' ' 270' ' ' ILE . 0.5 OUTLIER -65.97 -48.5 71.04 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 176.114 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 275' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' C' ' 279' ' ' LYS . 76.2 m-20 -52.81 -51.15 61.92 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -52.7 -58.13 7.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.016 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 277' ' ' ALA . . . . . 0.449 ' HB1' ' HA3' ' B' ' 0' ' ' GLY . . . -58.04 -37.93 75.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.246 -174.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 278' ' ' LEU . . . . . 0.562 ' CD1' ' HB ' ' A' ' 4' ' ' ILE . 3.5 mm? -81.38 -22.68 38.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -177.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 279' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' C' ' 275' ' ' ASP . 29.7 mtpp -84.7 -19.5 32.68 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.727 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -61.94 -30.63 71.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.591 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 281' ' ' MET . . . . . 0.852 ' HG3' ' HZ2' ' B' ' 5' ' ' LYS . 0.8 OUTLIER -67.41 -78.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -174.239 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 69.2 p 63.33 -26.47 0.07 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.852 1.261 . . . . 0.0 113.143 -176.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 283' ' ' SER . . . . . 0.517 ' H ' ' C ' ' C' ' 281' ' ' MET . 31.9 m -77.39 -8.85 58.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.626 0.726 . . . . 0.0 109.055 170.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 284' ' ' ILE . . . . . 0.465 HG21 ' HB3' ' C' ' 281' ' ' MET . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.151 0 CA-C-N 113.941 -1.482 . . . . 0.0 107.211 170.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.967 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.401 ' HE2' ' HE1' ' B' ' 1' ' ' MET . 72.8 mmm -71.47 88.84 0.92 Allowed 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 171.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -53.61 -38.6 64.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.532 -170.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -45.41 -62.1 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.596 0.56 . . . . 0.0 111.717 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.562 ' HB ' ' CD1' ' C' ' 278' ' ' LEU . 0.5 OUTLIER -71.51 -34.78 54.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.069 -177.326 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.687 ' HE2' ' SD ' ' D' ' 281' ' ' MET . 20.5 mmtp -76.59 -32.76 58.32 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.288 -174.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -66.94 -43.72 82.46 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -60.49 -50.67 72.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.33 173.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.8 ttp -54.72 -39.8 68.58 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.743 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.501 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 35.0 tt0 -58.82 -57.15 14.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.431 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 62.8 mtt -63.92 -33.39 75.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.789 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.884 HD21 HD21 ' B' ' 11' ' ' LEU . 32.6 tp -59.04 -55.04 40.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.068 177.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -63.67 -35.46 80.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.055 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 9' ' ' GLN . 92.5 mt -63.67 -42.69 98.02 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.893 0.378 . . . . 0.0 110.268 176.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.713 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 22.2 t70 -66.81 -46.16 76.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.471 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -41.64 91.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.674 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -67.27 -44.04 80.35 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.399 -175.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.713 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 16.2 p80 -69.42 -31.38 69.69 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.241 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.0 tp -70.91 -42.92 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.059 0.457 . . . . 0.0 110.16 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.66 -33.74 76.6 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.351 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -72.78 -40.88 65.59 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -60.75 -51.08 70.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.852 176.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.77 ' HB ' HG21 ' B' ' 22' ' ' VAL . 15.0 p -64.69 -40.82 90.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.576 -175.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.82 81.74 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.321 0.581 . . . . 0.0 110.316 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -66.23 -43.86 85.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.444 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 tp -68.82 -41.39 78.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.731 -176.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.694 ' HA ' HG12 ' A' ' 29' ' ' VAL . 16.9 ptpt -71.91 -24.51 61.65 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.703 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.854 ' HZ2' ' HB2' ' A' ' 27' ' ' LYS . 4.5 ttmp? -69.03 -43.46 74.68 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 171.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 tp -59.6 -48.88 79.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.273 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.694 HG12 ' HA ' ' A' ' 26' ' ' LYS . 10.1 p -71.84 -19.76 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 110.58 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.98 -19.88 74.26 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.863 174.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -71.82 -19.14 62.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 119.067 -0.492 . . . . 0.0 110.978 -179.112 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.833 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 249' ' ' CYS . . . . . 0.6 ' HB3' HG13 ' D' ' 253' ' ' ILE . 35.1 t -110.2 90.86 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 78.74 -86.74 1.15 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.822 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -170.25 156.55 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 40.0 m 76.79 -29.75 0.17 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.497 0.719 . . . . 0.0 112.039 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 253' ' ' ILE . . . . . 0.6 HG13 ' HB3' ' D' ' 249' ' ' CYS . 13.0 mm -56.03 -41.48 68.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -69.93 -31.53 69.33 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.862 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.73 -48.55 68.81 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 256' ' ' LEU . . . . . 0.458 ' HA ' ' HG2' ' D' ' 259' ' ' GLU . 10.1 mp -60.28 -41.22 92.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.117 177.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 257' ' ' GLU . . . . . 0.476 ' HA ' ' CD1' ' C' ' 256' ' ' LEU . 33.9 tt0 -61.94 -50.52 71.83 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.57 178.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.47 -46.79 80.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.957 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 259' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' D' ' 263' ' ' GLN . 2.5 pt-20 -75.18 -25.36 58.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -175.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 260' ' ' LEU . . . . . 0.707 HD22 HD11 ' C' ' 256' ' ' LEU . 61.3 tp -61.48 -49.36 77.09 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.011 0.434 . . . . 0.0 109.94 176.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 261' ' ' TYR . . . . . 0.573 ' O ' ' HG ' ' D' ' 265' ' ' LEU . 66.8 m-85 -63.43 -34.69 78.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.11 176.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.54 88.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.928 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 263' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' D' ' 259' ' ' GLU . 79.6 mm-40 -51.38 -52.18 48.07 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.667 175.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -58.97 -45.75 89.77 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.276 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 265' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' D' ' 261' ' ' TYR . 78.3 mt -59.75 -47.07 87.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.988 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 266' ' ' LYS . . . . . 0.844 ' HA ' ' HE2' ' D' ' 266' ' ' LYS . 10.4 mmpt? -72.52 -37.93 68.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.339 -178.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -59.9 -44.86 94.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.779 0.323 . . . . 0.0 110.372 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -66.88 -44.93 79.6 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -57.5 -49.52 76.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.521 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 270' ' ' ILE . . . . . 0.538 ' O ' HD12 ' D' ' 270' ' ' ILE . 0.0 OUTLIER -68.69 -36.6 75.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 120.559 0.219 . . . . 0.0 110.517 -177.462 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 60.5 m -65.06 -45.07 86.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.989 0.423 . . . . 0.0 110.368 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.4 -36.38 83.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.384 0.611 . . . . 0.0 109.749 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.18 -55.81 21.97 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.073 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 274' ' ' LEU . . . . . 0.541 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 4.6 pp -63.68 -31.5 72.69 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.04 -176.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 275' ' ' ASP . . . . . 0.473 ' N ' HD12 ' D' ' 274' ' ' LEU . 12.4 t70 -61.63 -55.0 35.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.149 174.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -67.28 -40.44 86.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 -177.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -64.46 -47.35 79.35 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -175.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 278' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.1 -25.66 39.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.726 0.298 . . . . 0.0 111.358 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -85.29 -19.6 31.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.263 0.554 . . . . 0.0 110.194 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -38.47 88.73 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 122.093 0.949 . . . . 0.0 110.61 174.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 281' ' ' MET . . . . . 0.687 ' SD ' ' HE2' ' A' ' 5' ' ' LYS . 5.9 ptm -100.76 44.38 1.02 Allowed 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.169 -1.378 . . . . 0.0 112.246 -165.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 282' ' ' THR . . . . . . . . . . . . . 25.2 p -69.83 31.32 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.818 173.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 283' ' ' SER . . . . . 0.518 ' H ' ' C ' ' D' ' 281' ' ' MET . 50.9 m -145.11 17.52 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.751 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 284' ' ' ILE . . . . . 0.527 ' OXT' ' HB3' ' B' ' 7' ' ' LYS . 11.7 tt . . . . . 0 C--O 1.242 0.675 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . 0.449 ' HA3' ' HB1' ' C' ' 277' ' ' ALA . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.541 ' SD ' ' HB2' ' D' ' 274' ' ' LEU . 76.0 mtm -88.95 96.68 10.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.149 0.499 . . . . 0.0 109.924 177.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.641 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 4.4 p-10 -65.92 -18.49 65.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.483 -174.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.12 -63.75 0.91 Allowed 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.381 0.426 . . . . 0.0 111.923 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.531 HG13 ' CD1' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -74.62 -28.36 21.96 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.351 179.246 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.852 ' HZ2' ' HG3' ' C' ' 281' ' ' MET . 0.2 OUTLIER -57.77 -49.3 77.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.893 0.378 . . . . 0.0 110.795 178.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -65.83 -49.17 69.17 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.977 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.527 ' HB3' ' OXT' ' D' ' 284' ' ' ILE . 31.5 mtmm -65.07 -37.39 87.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.205 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.1 ttt -57.13 -41.51 79.22 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 122.495 0.318 . . . . 0.0 110.869 174.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.452 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 51.2 tt0 -60.23 -49.46 77.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.0 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 65.2 mtt -64.32 -43.31 95.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.318 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.884 HD21 HD21 ' A' ' 11' ' ' LEU . 21.0 tp -53.93 -58.28 7.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.822 177.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.476 ' HE2' ' HB3' ' C' ' 283' ' ' SER . 0.8 OUTLIER -66.82 -30.43 70.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.167 -175.146 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 78.1 mt -69.96 -36.55 75.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.891 0.377 . . . . 0.0 110.443 175.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.644 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 27.9 t70 -67.34 -43.3 81.89 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 175.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.63 -36.85 84.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.585 177.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -63.24 -47.86 80.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.913 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.644 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 14.6 p80 -76.06 -21.3 56.93 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.026 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' B' ' 21' ' ' GLU . 7.5 tp -75.34 -37.77 60.52 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -55.97 -46.93 78.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.681 172.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -63.91 -39.95 95.36 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.208 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.526 ' HG3' HG21 ' A' ' 22' ' ' VAL . 6.2 tp10 -53.03 -52.75 57.46 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.469 174.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.77 HG21 ' HB ' ' A' ' 22' ' ' VAL . 47.2 t -65.52 -45.0 93.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.672 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.88 74.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.617 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -61.67 -42.48 98.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.042 0.449 . . . . 0.0 111.095 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.441 HD21 ' N ' ' A' ' 26' ' ' LYS . 64.6 tp -64.5 -52.86 55.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.216 -177.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.43 ' HD2' HG13 ' B' ' 22' ' ' VAL . 11.4 ptmm? -69.16 -24.72 64.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.071 0.462 . . . . 0.0 109.995 -177.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.461 ' HE3' ' HB2' ' B' ' 27' ' ' LYS . 35.7 ttmt -65.67 -46.05 80.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.849 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 46.4 tp -64.48 -44.96 89.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.404 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 63.0 t -68.54 -41.66 83.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.402 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.22 -25.2 75.08 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.899 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -70.87 -19.54 62.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.358 . . . . 0.0 111.187 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.481 -0.771 . . . . 0.0 111.149 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 249' ' ' CYS . . . . . 0.686 ' HA ' HG13 ' C' ' 253' ' ' ILE . 76.5 m 65.73 -168.61 0.21 Allowed 'General case' 0 C--O 1.232 0.182 0 C-N-CA 122.607 0.363 . . . . 0.0 110.7 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . 90.61 -44.99 2.9 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.094 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 251' ' ' LYS . . . . . 0.521 ' O ' ' HD3' ' C' ' 251' ' ' LYS . 0.0 OUTLIER -73.78 79.0 1.57 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.539 0.685 . . . . 0.0 111.896 -178.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 68.4 m 61.43 19.19 10.04 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.036 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 253' ' ' ILE . . . . . 0.686 HG13 ' HA ' ' C' ' 249' ' ' CYS . 34.4 mm -68.05 -39.7 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.01 0.433 . . . . 0.0 109.901 176.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.88 -48.51 79.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.602 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.15 -53.27 45.02 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.749 174.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . 0.43 ' O ' HD11 ' D' ' 260' ' ' LEU . 5.7 mp -57.97 -56.15 25.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.848 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 257' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -63.89 -37.61 88.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.736 0.303 . . . . 0.0 111.104 -174.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.61 -54.46 46.84 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.938 0.875 . . . . 0.0 109.672 175.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 259' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' C' ' 263' ' ' GLN . 3.6 tp10 -59.16 -38.26 79.32 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 113.893 -1.503 . . . . 0.0 110.344 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 260' ' ' LEU . . . . . 0.463 ' HA ' ' HG2' ' C' ' 263' ' ' GLN . 21.9 tp -54.16 -48.84 70.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.425 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -61.5 -43.99 97.88 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.903 0.382 . . . . 0.0 110.66 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -65.47 -48.18 73.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.229 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 263' ' ' GLN . . . . . 0.488 ' HA ' ' HG2' ' C' ' 266' ' ' LYS . 11.7 pt20 -69.07 -36.58 77.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.558 -176.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -66.88 -35.9 81.08 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.047 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.76 -46.14 76.29 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.64 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 266' ' ' LYS . . . . . 0.488 ' HG2' ' HA ' ' C' ' 263' ' ' GLN . 17.4 ptpt -73.56 -31.83 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.186 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -66.72 -37.56 84.93 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.957 0.408 . . . . 0.0 110.038 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 268' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' C' ' 272' ' ' GLU . 54.5 tttm -67.51 -44.47 78.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.052 173.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.06 91.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.757 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 270' ' ' ILE . . . . . 0.562 HD12 HD13 ' D' ' 274' ' ' LEU . 12.7 tt -75.36 -34.93 31.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 25.7 p -71.75 -39.03 70.3 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.753 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 272' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' C' ' 268' ' ' LYS . 12.4 pt-20 -74.73 -26.73 60.0 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 273' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' C' ' 270' ' ' ILE . 9.0 tp10 -57.7 -50.38 73.41 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 172.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 274' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 73.7 mt -59.91 -46.22 90.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.748 176.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.11 -55.62 32.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.029 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -65.41 -28.61 69.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 277' ' ' ALA . . . . . 0.434 ' HB1' ' HA2' ' B' ' 0' ' ' GLY . . . -65.15 -44.47 88.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.529 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 278' ' ' LEU . . . . . 0.445 ' HG ' ' HB2' ' A' ' 3' ' ' ALA . 4.3 mm? -86.01 -26.73 25.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.426 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -75.87 -20.75 57.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.615 0.245 . . . . 0.0 110.726 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -47.78 -56.42 7.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.585 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 281' ' ' MET . . . . . 0.431 ' O ' HG21 ' C' ' 282' ' ' THR . 0.0 OUTLIER -103.87 -53.23 2.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.688 -175.286 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 282' ' ' THR . . . . . 0.431 HG21 ' O ' ' C' ' 281' ' ' MET . 4.6 t 46.05 23.63 0.2 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.023 0.929 . . . . 0.0 111.688 -175.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 14.7 m -121.6 63.76 0.9 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 284' ' ' ILE . . . . . 0.535 HG23 ' HE2' ' A' ' 7' ' ' LYS . 4.1 tt . . . . . 0 C--O 1.248 0.983 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.15 -175.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . 0.404 ' O ' ' HD3' ' A' ' 5' ' ' LYS . . . . . . . . 0 N--CA 1.485 1.964 0 CA-C-O 119.984 -0.342 . . . . 0.0 112.611 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.472 ' HB3' HG21 ' A' ' 4' ' ' ILE . 3.3 mpp? 54.38 88.4 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.869 0.868 . . . . 0.0 112.53 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -68.59 -23.82 64.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.117 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.445 ' HB2' ' HG ' ' C' ' 278' ' ' LEU . . . -56.02 -63.44 1.18 Allowed 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.334 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.57 HD12 ' HB ' ' B' ' 4' ' ' ILE . 0.7 OUTLIER -69.11 -41.12 81.35 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.525 -177.729 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.578 ' HE2' ' SD ' ' D' ' 281' ' ' MET . 0.7 OUTLIER -66.72 -40.37 88.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -174.701 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -61.96 -51.63 67.31 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.25 0.547 . . . . 0.0 110.162 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.535 ' HE2' HG23 ' C' ' 284' ' ' ILE . 37.0 mtmm -75.01 -22.6 58.4 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.248 -177.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.512 ' SD ' ' HE1' ' D' ' 281' ' ' MET . 35.6 ttp -60.87 -48.63 80.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 0.0 110.491 173.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.405 ' O ' HD22 ' A' ' 13' ' ' LEU . 30.0 tt0 -61.61 -43.46 98.81 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.6 ttp -57.8 -49.62 76.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.218 174.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.25 -55.66 30.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.685 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 8' ' ' MET . 14.1 mmmm -63.45 -36.03 82.4 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.131 -0.227 . . . . 0.0 110.792 -175.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.405 HD22 ' O ' ' A' ' 9' ' ' GLN . 3.2 mm? -62.42 -38.02 88.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.055 0.455 . . . . 0.0 110.299 175.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.759 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 35.7 t70 -65.87 -41.4 91.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.919 175.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -63.56 -46.18 87.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.426 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -58.66 -47.93 82.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.854 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.759 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 3.7 p80 -70.2 -19.83 63.14 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.295 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.8 tp -78.09 -44.65 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 175.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.14 -49.33 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.369 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -66.54 -37.94 86.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.107 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.631 ' HB2' ' O ' ' A' ' 17' ' ' HIS . 22.6 tt0 -63.96 -47.64 79.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.779 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.573 ' HB ' HG23 ' B' ' 22' ' ' VAL . 12.9 p -66.59 -33.28 62.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.74 0.305 . . . . 0.0 110.563 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.72 -46.65 74.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.118 0.485 . . . . 0.0 110.482 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -70.47 -29.94 66.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.93 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 tp -66.57 -45.84 77.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.691 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HB3' HD22 ' B' ' 25' ' ' LEU . 17.1 ptpt -72.9 -21.49 60.9 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.781 0.324 . . . . 0.0 110.506 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 62.9 tttp -74.1 -37.81 64.03 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 172.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.6 -47.34 81.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.323 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.758 ' HB ' HG23 ' B' ' 29' ' ' VAL . 14.9 p -73.5 -35.94 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.711 0.291 . . . . 0.0 110.646 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.88 -19.42 79.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.344 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.544 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 5.1 tp10 -69.67 -19.46 63.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 110.348 179.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.211 -177.875 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 112.67 -0.172 . . . . 0.0 112.67 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 249' ' ' CYS . . . . . . . . . . . . . 52.0 t -153.61 -31.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.203 0.525 . . . . 0.0 110.696 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 164.14 -58.51 0.27 Allowed Glycine 0 N--CA 1.441 -0.975 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -177.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -153.82 162.41 41.25 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 22.2 t 76.09 -67.52 0.23 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.508 0.723 . . . . 0.0 110.126 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 253' ' ' ILE . . . . . 0.491 ' O ' ' HG3' ' D' ' 257' ' ' GLU . 14.2 mm -64.67 -42.09 94.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.769 0.318 . . . . 0.0 110.573 178.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.46 -44.03 95.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.279 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -54.76 -44.36 73.58 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.751 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 256' ' ' LEU . . . . . 0.424 ' HA ' HD13 ' D' ' 256' ' ' LEU . 1.8 mm? -66.97 -40.79 87.52 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.007 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 257' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' D' ' 253' ' ' ILE . 59.9 mt-10 -54.84 -51.66 65.2 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.132 0.492 . . . . 0.0 111.056 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -59.8 -49.81 76.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.684 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 259' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' D' ' 263' ' ' GLN . 11.6 tp10 -76.65 -30.99 57.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.724 -173.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 260' ' ' LEU . . . . . 0.43 HD11 ' O ' ' C' ' 256' ' ' LEU . 6.8 tt -65.19 -42.65 93.39 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 261' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -63.05 -39.51 94.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.692 174.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -63.83 -47.9 78.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.812 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 263' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' D' ' 259' ' ' GLU . 35.8 mm-40 -55.69 -47.56 76.58 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.91 0.386 . . . . 0.0 110.895 175.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -63.58 -39.29 94.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.618 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 27.8 tp -68.39 -34.93 76.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.197 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 266' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.64 -30.3 62.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.771 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 267' ' ' TYR . . . . . 0.474 ' HA ' HG23 ' D' ' 270' ' ' ILE . 89.3 t80 -66.45 -40.61 89.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.129 0.49 . . . . 0.0 109.891 175.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -64.1 -46.66 83.26 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.21 96.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.599 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 270' ' ' ILE . . . . . 0.696 ' O ' ' HG ' ' D' ' 274' ' ' LEU . 12.4 tt -68.51 -40.28 81.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 121.332 -0.147 . . . . 0.0 111.277 -176.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 27.2 t -62.68 -48.04 81.02 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -56.78 -44.37 81.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.709 173.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.58 -53.33 57.78 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.263 -176.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 274' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' D' ' 270' ' ' ILE . 16.8 mt -55.97 -52.19 65.06 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.992 0.425 . . . . 0.0 110.758 -177.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 275' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' D' ' 279' ' ' LYS . 14.5 t70 -62.66 -51.54 66.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.685 -176.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -71.87 -34.51 69.26 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.323 -175.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 277' ' ' ALA . . . . . 0.537 ' HA ' ' OD2' ' D' ' 280' ' ' ASP . . . -60.75 -48.02 83.68 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.013 0.435 . . . . 0.0 111.157 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 278' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.7 -19.56 59.02 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.17 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 279' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' D' ' 275' ' ' ASP . 1.9 tppp? -77.99 -32.7 51.36 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 176.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 280' ' ' ASP . . . . . 0.537 ' OD2' ' HA ' ' D' ' 277' ' ' ALA . 71.6 m-20 -51.37 -57.89 7.71 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.816 0.817 . . . . 0.0 110.865 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 281' ' ' MET . . . . . 0.639 ' HG3' ' H ' ' D' ' 282' ' ' THR . 9.6 ptm -70.05 -75.47 0.12 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.944 -1.48 . . . . 0.0 112.784 -171.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 282' ' ' THR . . . . . 0.639 ' H ' ' HG3' ' D' ' 281' ' ' MET . 16.5 p 47.1 23.1 0.26 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.201 0.6 . . . . 0.0 112.142 -171.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 38.1 t -131.21 71.81 1.48 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.586 0.708 . . . . 0.0 109.577 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 284' ' ' ILE . . . . . 0.555 HG22 ' HB3' ' B' ' 7' ' ' LYS . 6.6 tt . . . . . 0 C--O 1.246 0.909 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.398 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . 0.434 ' HA2' ' HB1' ' C' ' 277' ' ' ALA . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.502 ' H ' ' HD3' ' B' ' 5' ' ' LYS . 94.3 mmm -119.56 108.76 14.9 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -41.71 -54.44 3.3 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.131 0.972 . . . . 0.0 113.293 -172.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.55 -61.88 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -173.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.57 ' HB ' HD12 ' A' ' 4' ' ' ILE . 0.8 OUTLIER -68.69 -37.72 77.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.511 -176.267 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.502 ' HD3' ' H ' ' B' ' 1' ' ' MET . 0.2 OUTLIER -56.91 -56.91 15.63 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.072 0.463 . . . . 0.0 111.227 -178.164 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -65.53 -45.89 81.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.473 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.555 ' HB3' HG22 ' D' ' 284' ' ' ILE . 21.0 mtmm -69.09 -34.31 74.91 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.419 ' SD ' ' HG2' ' C' ' 281' ' ' MET . 16.7 ttt -59.86 -44.14 94.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.5 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -64.34 -42.2 96.37 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.293 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 66.8 mtt -61.72 -46.71 88.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.952 0.406 . . . . 0.0 109.996 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 tp -51.43 -59.08 4.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.747 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -62.13 -41.05 97.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.979 -173.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.69 -39.26 77.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.992 0.425 . . . . 0.0 110.868 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.767 ' HA ' ' CE1' ' B' ' 17' ' ' HIS . 30.0 t0 -67.41 -44.3 79.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.943 0.402 . . . . 0.0 110.228 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . 0.418 ' HA ' ' HB2' ' B' ' 18' ' ' LEU . 0.9 OUTLIER -64.72 -23.94 67.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.264 176.33 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.07 -41.71 85.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.757 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.767 ' CE1' ' HA ' ' B' ' 14' ' ' ASP . 4.6 m80 -62.85 -48.67 78.05 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 174.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.483 ' O ' HG22 ' B' ' 22' ' ' VAL . 9.2 mp -49.5 -59.4 3.78 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.874 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -69.1 -26.02 64.71 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.108 -177.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' B' ' 17' ' ' HIS . 9.3 t30 -55.51 -43.57 75.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 175.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.73 -43.8 71.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.26 176.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.573 HG23 ' HB ' ' A' ' 22' ' ' VAL . 46.2 t -56.28 -46.3 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.029 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.43 89.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.367 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.6 mtp85 -71.44 -29.5 64.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.869 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.545 ' O ' HG22 ' B' ' 29' ' ' VAL . 46.9 tp -73.61 -48.35 33.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.673 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -61.24 -32.99 72.79 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.973 0.416 . . . . 0.0 109.952 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -69.16 -42.4 75.97 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.166 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 tp -63.6 -41.61 98.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.955 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.758 HG23 ' HB ' ' A' ' 29' ' ' VAL . 50.5 t -65.1 -46.69 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.699 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.41 -19.86 79.75 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.527 -178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -62.11 -44.09 97.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.157 0.503 . . . . 0.0 110.541 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.03 -175.618 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 112.087 -0.405 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 249' ' ' CYS . . . . . . . . . . . . . 25.8 p -165.62 -177.24 4.28 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . -85.25 34.44 3.26 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.092 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp 72.44 -67.18 0.27 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.86 0.864 . . . . 0.0 110.596 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 16.0 m -76.26 79.51 3.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.127 0.489 . . . . 0.0 109.864 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 253' ' ' ILE . . . . . 0.578 HD13 HD11 ' D' ' 253' ' ' ILE . 10.8 tp -84.99 -27.61 6.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.149 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 254' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' C' ' 257' ' ' GLU . 17.7 m-20 -68.16 -38.88 82.56 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -74.03 -19.78 60.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.095 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . 0.435 ' HG ' HD22 ' D' ' 260' ' ' LEU . 7.8 tp -75.96 -42.47 48.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.95 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 257' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' C' ' 254' ' ' ASP . 1.9 pt-20 -68.55 -31.36 70.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.403 174.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -57.83 -53.67 55.58 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 171.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 259' ' ' GLU . . . . . 0.408 ' HG2' HD12 ' D' ' 260' ' ' LEU . 3.8 tp10 -56.01 -42.91 77.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.171 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 260' ' ' LEU . . . . . 0.707 HD21 ' HG ' ' D' ' 256' ' ' LEU . 58.3 tp -56.1 -55.09 37.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.892 0.377 . . . . 0.0 111.261 -178.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -70.25 -35.18 73.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.083 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 262' ' ' ALA . . . . . 0.438 ' O ' ' HG ' ' C' ' 265' ' ' LEU . . . -60.71 -54.02 50.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.6 178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 263' ' ' GLN . . . . . 0.511 ' HA ' ' OE1' ' C' ' 263' ' ' GLN . 11.6 mm-40 -66.48 -24.35 66.4 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -178.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -71.66 -46.46 58.9 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.154 174.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 265' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' C' ' 262' ' ' ALA . 4.5 pp -72.63 -31.29 65.03 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.254 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 266' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -69.34 -40.15 77.73 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.595 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -64.65 -44.04 91.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.795 0.331 . . . . 0.0 110.11 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -60.77 -50.81 71.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.423 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.9 94.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.499 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 270' ' ' ILE . . . . . 0.488 HD13 ' O ' ' C' ' 270' ' ' ILE . 0.2 OUTLIER -72.93 -33.86 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-O 120.728 0.299 . . . . 0.0 110.329 -177.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 271' ' ' SER . . . . . 0.551 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 58.7 m -68.96 -47.91 64.47 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.921 0.391 . . . . 0.0 110.464 177.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -72.99 -19.31 61.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.981 0.42 . . . . 0.0 110.166 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 273' ' ' GLU . . . . . 0.425 ' CD ' ' H1 ' ' B' ' 0' ' ' GLY . 7.8 tp10 -64.67 -58.27 6.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.206 173.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 274' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' C' ' 271' ' ' SER . 4.6 pp -61.04 -30.3 70.23 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.516 -178.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -57.7 -62.22 1.95 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.371 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -67.84 -32.43 72.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.244 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 277' ' ' ALA . . . . . 0.52 ' HB1' ' HD3' ' B' ' 5' ' ' LYS . . . -64.44 -46.79 81.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.9 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 278' ' ' LEU . . . . . 0.596 HD12 ' HB2' ' A' ' 3' ' ' ALA . 23.2 mt -86.45 -24.54 25.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.401 -176.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -79.95 -19.85 47.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.931 0.396 . . . . 0.0 110.428 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -55.99 -40.04 72.72 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.795 0.807 . . . . 0.0 109.553 169.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 281' ' ' MET . . . . . 0.59 ' HB2' ' HB ' ' C' ' 284' ' ' ILE . 5.5 ptp -98.13 64.09 1.64 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.975 -178.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 14.0 t -82.38 6.06 18.33 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.501 172.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 11.7 m -125.91 12.37 7.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.967 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 284' ' ' ILE . . . . . 0.59 ' HB ' ' HB2' ' C' ' 281' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.946 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . 0.442 ' HA3' ' HG2' ' D' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.84 0 N-CA-C 112.205 -0.358 . . . . 0.0 112.205 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.527 ' HE2' ' HG ' ' D' ' 274' ' ' LEU . 23.1 mtt -75.64 83.55 2.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.247 0.546 . . . . 0.0 110.596 178.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -70.17 -33.51 71.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.506 -175.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.596 ' HB2' HD12 ' C' ' 278' ' ' LEU . . . -57.69 -62.51 1.75 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.794 -175.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.647 HD11 ' HB ' ' B' ' 4' ' ' ILE . 1.3 tt -65.61 -39.43 84.97 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.0 -176.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HD2' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -59.7 -51.86 67.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.733 0.302 . . . . 0.0 111.04 -176.63 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -67.95 -44.38 76.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.704 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HD2' ' CG2' ' C' ' 284' ' ' ILE . 22.4 mtmm -67.7 -32.33 72.89 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.054 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.519 ' SD ' ' HE2' ' D' ' 281' ' ' MET . 23.2 ttp -54.7 -48.47 72.41 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.015 0.436 . . . . 0.0 110.08 172.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.404 ' O ' HD22 ' A' ' 13' ' ' LEU . 57.7 tt0 -58.58 -53.12 61.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.438 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 90.6 mtp -60.34 -47.33 86.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.163 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.652 HD22 HD22 ' B' ' 11' ' ' LEU . 57.5 tp -60.38 -49.96 75.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.373 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -63.81 -39.01 93.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.001 -175.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.404 HD22 ' O ' ' A' ' 9' ' ' GLN . 4.4 mm? -73.34 -36.87 66.24 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.011 0.434 . . . . 0.0 110.868 177.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.455 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 37.3 t70 -65.33 -49.5 69.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.216 0.531 . . . . 0.0 110.005 178.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.477 ' HA ' ' HB2' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -67.08 -24.86 66.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.448 177.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.59 -45.74 91.5 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.491 176.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.455 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 25.4 p80 -75.08 -19.83 59.78 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.163 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.477 ' HB2' ' HA ' ' A' ' 15' ' ' ASN . 5.2 mp -69.16 -55.32 10.99 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.762 0.315 . . . . 0.0 110.557 172.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.542 ' HA ' HG11 ' A' ' 22' ' ' VAL . 16.8 pt-20 -70.56 -26.47 63.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.018 -177.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 28.1 t-20 -72.73 -41.28 65.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.42 -44.11 97.7 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.532 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.542 HG11 ' HA ' ' A' ' 19' ' ' GLU . 12.5 p -72.51 -26.62 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.526 178.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.5 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . . . -66.84 -41.41 87.46 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.161 0.505 . . . . 0.0 110.312 175.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 20' ' ' ASN . 25.0 mmm180 -64.08 -39.81 94.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.612 176.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.683 HD13 HG21 ' B' ' 29' ' ' VAL . 2.9 tm? -72.63 -43.31 63.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.009 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HG2' ' HA ' ' A' ' 23' ' ' ALA . 14.1 ptmm? -65.97 -30.13 70.64 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.254 -0.178 . . . . 0.0 111.048 -177.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -76.08 -39.54 55.15 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.932 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.68 -52.05 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.453 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.422 HG12 HD12 ' B' ' 25' ' ' LEU . 11.7 p -74.95 -27.77 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 111.072 -178.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.79 -34.86 55.67 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.865 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -85.32 -57.88 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.74 0.305 . . . . 0.0 110.259 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.791 -175.616 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 112.031 -0.428 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 249' ' ' CYS . . . . . . . . . . . . . 38.2 t -137.42 -26.23 1.0 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.811 0.339 . . . . 0.0 111.033 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 157.34 -53.61 0.4 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.665 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -157.45 159.62 37.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 22.9 m 70.77 -63.62 0.41 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.928 0.768 . . . . 0.0 111.587 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 253' ' ' ILE . . . . . 0.578 HD11 HD13 ' C' ' 253' ' ' ILE . 11.9 mm -64.43 -33.02 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 110.72 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.83 -42.85 99.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.187 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.83 -44.03 86.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.072 176.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 256' ' ' LEU . . . . . 0.707 ' HG ' HD21 ' C' ' 260' ' ' LEU . 5.5 mp -57.04 -52.59 64.66 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.769 175.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 257' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -59.81 -38.71 82.74 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.132 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 258' ' ' ASP . . . . . 0.597 ' HA ' ' CE2' ' D' ' 261' ' ' TYR . 22.6 t70 -63.55 -57.56 9.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.702 0.763 . . . . 0.0 110.428 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 259' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.39 -25.33 67.97 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.507 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 260' ' ' LEU . . . . . 0.435 HD22 ' HG ' ' C' ' 256' ' ' LEU . 32.2 tp -60.45 -58.26 9.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.162 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 261' ' ' TYR . . . . . 0.597 ' CE2' ' HA ' ' D' ' 258' ' ' ASP . 19.1 p90 -68.23 -26.96 65.96 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.802 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 262' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' D' ' 266' ' ' LYS . . . -60.78 -58.78 7.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.132 175.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 263' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -56.34 -45.09 80.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.186 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -63.75 -39.76 95.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.463 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.8 -36.79 65.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.152 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 266' ' ' LYS . . . . . 0.607 ' HA ' ' HE2' ' D' ' 266' ' ' LYS . 10.4 mmpt? -64.16 -41.21 97.25 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.45 -39.66 95.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.244 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -61.51 -49.3 77.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.29 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.15 82.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.315 -177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 270' ' ' ILE . . . . . 0.407 HD13 HG22 ' C' ' 270' ' ' ILE . 15.1 tt -70.33 -37.5 71.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.358 -176.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 9.8 t -68.93 -43.47 75.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.69 -49.87 71.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.264 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 273' ' ' GLU . . . . . 0.442 ' HG2' ' HA3' ' A' ' 0' ' ' GLY . 29.2 tp10 -57.17 -53.23 60.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.605 -177.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 274' ' ' LEU . . . . . 0.527 ' HG ' ' HE2' ' A' ' 1' ' ' MET . 8.7 mp -61.55 -45.93 92.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.539 -175.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -65.07 -44.35 89.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.022 0.439 . . . . 0.0 110.471 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -62.87 -50.3 71.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.69 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -61.61 -30.15 70.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.38 -177.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 278' ' ' LEU . . . . . 0.508 HD22 ' SD ' ' A' ' 1' ' ' MET . 4.3 mm? -85.14 -20.43 30.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.769 0.318 . . . . 0.0 111.212 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 279' ' ' LYS . . . . . 0.499 ' O ' HG22 ' D' ' 282' ' ' THR . 8.5 tppt? -82.21 -38.32 24.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.119 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -49.25 -48.77 45.5 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.199 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 281' ' ' MET . . . . . 0.519 ' HE2' ' SD ' ' A' ' 8' ' ' MET . 26.4 mtp -55.15 -67.06 0.3 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.596 -168.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 282' ' ' THR . . . . . 0.499 HG22 ' O ' ' D' ' 279' ' ' LYS . 20.7 p 46.81 26.13 0.53 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.17 0.588 . . . . 0.0 112.544 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 40.2 m -155.69 68.45 0.65 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.138 0.494 . . . . 0.0 109.758 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 284' ' ' ILE . . . . . . . . . . . . . 9.0 tt . . . . . 0 C--O 1.253 1.287 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.319 178.249 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . 0.425 ' H1 ' ' CD ' ' C' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.892 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.7 tpp -62.83 105.18 0.63 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.014 0.435 . . . . 0.0 110.166 174.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -47.37 -54.44 11.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.71 -173.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.42 -58.62 5.75 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -172.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.647 ' HB ' HD11 ' A' ' 4' ' ' ILE . 1.8 tp -78.07 -31.34 16.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.546 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.473 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.904 ' HE2' ' HA ' ' B' ' 5' ' ' LYS . 0.1 OUTLIER -65.06 -47.97 75.45 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.921 -0.487 . . . . 0.0 111.139 -178.325 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -72.29 -40.4 67.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.361 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -66.7 -30.85 71.2 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.768 175.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 41.0 ttp -61.33 -43.53 98.72 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.544 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 57.0 tt0 -59.85 -46.52 89.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.217 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 91.8 mtp -68.62 -36.95 79.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.067 0.46 . . . . 0.0 110.73 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.652 HD22 HD22 ' A' ' 11' ' ' LEU . 44.8 tp -60.68 -51.27 70.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.63 176.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -61.1 -34.43 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.714 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 93.6 mt -60.38 -47.14 87.37 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.007 0.432 . . . . 0.0 110.348 173.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.734 ' HA ' ' HD2' ' B' ' 17' ' ' HIS . 37.9 t70 -63.22 -50.27 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.474 178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -56.84 -44.78 82.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.725 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.46 -44.06 83.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.734 ' HD2' ' HA ' ' B' ' 14' ' ' ASP . 3.1 p80 -70.43 -29.06 65.55 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.863 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.526 ' O ' HG21 ' B' ' 22' ' ' VAL . 62.0 mt -67.01 -50.97 60.5 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 173.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -56.64 -36.97 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.946 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.569 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 24.0 t-20 -70.58 -48.13 56.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.97 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.11 -49.25 66.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.645 176.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.526 HG21 ' O ' ' B' ' 18' ' ' LEU . 57.6 t -60.4 -46.11 95.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.434 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.19 99.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.395 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' B' ' 20' ' ' ASN . 36.5 mmt180 -63.39 -44.68 93.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.031 0.443 . . . . 0.0 110.445 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.422 HD12 HG12 ' A' ' 29' ' ' VAL . 38.7 tp -65.54 -45.44 83.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.421 -179.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -68.86 -24.69 64.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.087 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.721 ' HE2' ' HA ' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -67.89 -51.33 49.3 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 174.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.57 -47.88 80.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.517 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.683 HG21 HD13 ' A' ' 25' ' ' LEU . 95.8 t -65.91 -38.13 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.862 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.58 -38.12 94.48 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.797 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -19.65 63.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.018 -0.992 . . . . 0.0 111.111 -176.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 270' ' ' ILE . . . . . 0.526 HD13 ' O ' ' C' ' 270' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 22.6 t -64.12 -46.76 82.72 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.36 -37.42 80.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.843 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 273' ' ' GLU . . . . . 0.576 ' CD ' ' HA2' ' B' ' 0' ' ' GLY . 17.0 tp10 -62.42 -63.33 1.26 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.065 -178.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 274' ' ' LEU . . . . . 0.471 HD12 ' N ' ' C' ' 275' ' ' ASP . 4.4 pp -55.07 -36.32 65.48 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.139 0.274 . . . . 0.0 111.149 -175.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 275' ' ' ASP . . . . . 0.471 ' N ' HD12 ' C' ' 274' ' ' LEU . 24.8 t70 -60.07 -59.43 5.43 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.808 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -74.75 -30.94 61.65 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.002 -176.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -57.94 -43.29 86.25 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.965 0.412 . . . . 0.0 111.193 -177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 278' ' ' LEU . . . . . 0.568 HD21 ' SD ' ' A' ' 1' ' ' MET . 4.1 mm? -83.62 -31.53 26.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.77 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -68.65 -38.03 80.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.178 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.83 -38.54 72.78 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.243 0.544 . . . . 0.0 110.674 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 281' ' ' MET . . . . . 0.656 ' O ' HG22 ' C' ' 284' ' ' ILE . 13.8 mtm -94.35 49.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.153 -175.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 9.7 t -62.1 -3.4 1.25 Allowed 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.15 0.5 . . . . 0.0 110.885 172.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 20.0 m -116.75 24.1 11.5 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.738 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 284' ' ' ILE . . . . . 0.656 HG22 ' O ' ' C' ' 281' ' ' MET . 6.1 tt . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.258 -0.877 . . . . 0.0 109.709 172.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.568 ' SD ' HD21 ' C' ' 278' ' ' LEU . 50.8 ttm -136.91 99.47 4.03 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -57.06 -47.46 80.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.74 -170.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.518 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -49.67 -64.16 0.89 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.262 -174.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.643 HG13 ' HE3' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -65.07 -42.46 94.56 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.522 -177.841 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.643 ' HE3' HG13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -60.81 -51.74 68.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.219 0.533 . . . . 0.0 111.616 -177.095 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -71.79 -40.13 69.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.211 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.601 ' HD3' HG23 ' C' ' 284' ' ' ILE . 32.9 tttm -76.02 -28.09 57.6 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.613 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.644 ' SD ' ' HG2' ' D' ' 281' ' ' MET . 7.0 ptt? -68.24 -28.54 67.31 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.498 ' O ' HD23 ' A' ' 13' ' ' LEU . 61.3 tt0 -62.85 -46.45 87.86 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.3 ttt -58.33 -47.88 82.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.298 0.57 . . . . 0.0 109.942 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.575 ' HB3' ' HA ' ' A' ' 8' ' ' MET . 25.7 tp -53.09 -54.77 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.639 177.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' A' ' 12' ' ' LYS . 45.1 mmtt -57.64 -38.92 75.84 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -177.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 9' ' ' GLN . 4.2 mm? -64.04 -35.44 80.73 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.773 178.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.592 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 28.2 t70 -69.03 -45.64 69.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.073 0.463 . . . . 0.0 109.917 174.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -59.82 -41.0 90.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.24 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -60.5 -48.42 81.85 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.675 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.592 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 12.0 p80 -65.47 -27.87 68.81 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.005 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.77 -57.74 4.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.904 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.592 ' HA ' HG12 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -68.46 -30.8 69.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.201 -175.14 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -69.23 -42.39 75.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.917 0.389 . . . . 0.0 109.982 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 42.8 tt0 -64.19 -52.3 59.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.374 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.7 HG22 ' HE3' ' A' ' 26' ' ' LYS . 9.1 p -63.31 -34.89 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.394 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.8 -53.29 49.28 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.774 0.321 . . . . 0.0 110.795 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.1 mtm105 -65.42 -36.14 83.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.202 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.649 HD11 HG21 ' B' ' 29' ' ' VAL . 15.1 tp -63.46 -53.3 54.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.866 -177.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.7 ' HE3' HG22 ' A' ' 22' ' ' VAL . 18.0 ptpt -69.93 -26.18 64.02 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.873 -176.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.16 -41.04 77.78 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 174.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.602 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 45.2 tp -71.71 -40.85 69.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.217 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.648 ' CG2' HG22 ' B' ' 29' ' ' VAL . 21.3 t -70.87 -27.58 30.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 122.002 -0.436 . . . . 0.0 110.001 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.36 -29.84 59.48 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.648 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 12.3 pt-20 . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.441 . . . . 0.0 110.226 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 270' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' C' ' 270' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.443 0.163 . . . . 0.0 110.69 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 65.5 p -70.3 -40.38 74.28 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.523 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -64.46 -41.13 96.69 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.05 0.453 . . . . 0.0 110.248 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.31 -53.6 54.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.773 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 274' ' ' LEU . . . . . 0.511 ' HG ' ' HE2' ' A' ' 1' ' ' MET . 10.9 mp -70.4 -33.72 71.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.462 -177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 275' ' ' ASP . . . . . 0.554 ' O ' ' HB2' ' D' ' 279' ' ' LYS . 27.4 t70 -58.98 -49.65 77.06 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 174.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -64.99 -32.63 74.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.51 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.68 92.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.388 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 278' ' ' LEU . . . . . 0.655 HD11 ' HB ' ' B' ' 4' ' ' ILE . 3.8 mm? -85.74 -28.43 24.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.726 0.298 . . . . 0.0 110.86 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 279' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' D' ' 275' ' ' ASP . 2.1 tptm -63.0 -31.82 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.632 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -47.1 -62.95 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.783 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 281' ' ' MET . . . . . 0.644 ' HG2' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -92.02 -49.74 6.06 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.319 -177.108 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 282' ' ' THR . . . . . 0.531 HG22 ' O ' ' D' ' 281' ' ' MET . 0.7 OUTLIER 58.64 -8.46 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.031 1.333 . . . . 0.0 113.592 -178.904 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 283' ' ' SER . . . . . 0.463 ' H ' ' C ' ' D' ' 281' ' ' MET . 46.2 m -135.17 76.0 1.6 Allowed 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.991 -0.443 . . . . 0.0 110.653 176.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 284' ' ' ILE . . . . . 0.876 HG12 ' HD2' ' B' ' 7' ' ' LYS . 31.5 pt . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.734 171.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 0' ' ' GLY . . . . . 0.576 ' HA2' ' CD ' ' C' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.456 ' O ' ' HD2' ' B' ' 5' ' ' LYS . 46.9 tpp -74.79 88.1 2.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -48.33 -41.28 27.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.347 -171.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.519 ' HB3' ' HG ' ' D' ' 278' ' ' LEU . . . -52.76 -71.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -176.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.655 ' HB ' HD11 ' D' ' 278' ' ' LEU . 0.6 OUTLIER -72.27 -30.91 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -175.298 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.456 ' HD2' ' O ' ' B' ' 1' ' ' MET . 0.2 OUTLIER -54.99 -58.34 8.02 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.469 0.652 . . . . 0.0 110.433 177.692 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -71.38 -32.6 68.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.624 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.876 ' HD2' HG12 ' D' ' 284' ' ' ILE . 19.4 ttmm -70.95 -34.55 71.57 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.509 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.427 ' O ' ' HB3' ' B' ' 11' ' ' LEU . 32.3 ttp -66.51 -38.71 87.81 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.954 0.407 . . . . 0.0 110.019 176.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.542 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 62.0 tt0 -59.83 -51.53 69.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 48.4 ttm -57.83 -42.24 83.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.623 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.427 ' HB3' ' O ' ' B' ' 8' ' ' MET . 8.0 tp -52.49 -63.36 1.17 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.389 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' B' ' 16' ' ' TYR . 24.5 mtmt -72.58 -25.72 61.45 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -173.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 72.2 mt -61.5 -43.28 99.14 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.783 173.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.585 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 35.4 t70 -68.71 -49.18 60.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.604 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -67.21 -29.35 68.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.471 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.692 ' HA ' ' HG2' ' B' ' 19' ' ' GLU . 2.4 m-85 -69.44 -40.06 77.43 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.421 177.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.585 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 7.3 p80 -70.7 -24.99 62.76 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.57 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tt -73.63 -49.14 27.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.988 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.692 ' HG2' ' HA ' ' B' ' 16' ' ' TYR . 7.9 pt-20 -66.56 -33.39 75.57 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-O 120.725 0.298 . . . . 0.0 110.593 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -65.43 -43.88 89.1 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.245 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.25 -53.79 47.42 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.317 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.67 HG12 ' HA ' ' B' ' 19' ' ' GLU . 9.8 p -62.24 -32.35 54.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -175.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.9 -47.11 69.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.972 0.415 . . . . 0.0 110.698 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -72.34 -29.63 63.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.658 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.594 ' O ' HG23 ' B' ' 29' ' ' VAL . 61.8 tp -69.28 -48.03 62.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.015 177.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.533 ' HA ' HG23 ' B' ' 29' ' ' VAL . 17.2 ptpt -66.29 -26.18 67.21 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.93 0.395 . . . . 0.0 110.317 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -64.48 -44.3 91.42 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 2.4 mm? -64.31 -29.73 70.8 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.015 176.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 25' ' ' LEU . 17.4 t -65.63 -33.55 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 175.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.75 -26.09 72.3 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.541 173.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' B' ' 28' ' ' LEU . 0.4 OUTLIER -73.57 -34.87 65.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.627 0.251 . . . . 0.0 111.15 176.736 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' B' ' 28' ' ' LEU . 12.0 ptm180 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.42 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 270' ' ' ILE . . . . . . . . . . . . . 10.0 tt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.813 0.34 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 47.1 t -65.46 -47.36 76.4 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -50.89 -45.67 60.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.99 0.424 . . . . 0.0 110.214 175.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.87 -58.33 7.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.363 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 274' ' ' LEU . . . . . 0.562 HD22 ' HE1' ' A' ' 1' ' ' MET . 92.7 mt -67.73 -45.97 73.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.791 -174.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.53 -54.61 44.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.81 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -59.78 -41.13 90.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.677 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 277' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' C' ' 280' ' ' ASP . . . -62.66 -50.16 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.768 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 278' ' ' LEU . . . . . 0.705 HD12 ' HB ' ' A' ' 4' ' ' ILE . 3.8 mm? -77.21 -18.32 57.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.629 0.252 . . . . 0.0 111.625 -175.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -86.05 -19.0 30.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.002 173.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 280' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' C' ' 277' ' ' ALA . 0.3 OUTLIER -53.06 -63.54 1.11 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -175.656 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 281' ' ' MET . . . . . 0.406 ' SD ' ' HE2' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -70.08 -25.51 63.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.749 -172.634 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 17.9 p 54.99 -69.73 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.144 0.978 . . . . 0.0 112.879 -173.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 24.7 t -74.4 81.76 1.91 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.514 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 284' ' ' ILE . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.556 -0.735 . . . . 0.0 109.596 173.491 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.94 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.623 ' HG3' HG22 ' A' ' 4' ' ' ILE . 30.9 tpp -96.76 29.6 2.95 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.445 0.641 . . . . 0.0 109.709 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.06 -19.85 14.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.098 -0.956 . . . . 0.0 112.751 -171.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.47 -58.57 6.95 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.157 0.503 . . . . 0.0 110.984 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.705 ' HB ' HD12 ' C' ' 278' ' ' LEU . 0.7 OUTLIER -78.44 -38.52 22.77 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.698 178.652 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.893 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 7.5 mmpt? -60.52 -43.26 97.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.849 0.357 . . . . 0.0 111.113 -175.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -69.78 -47.66 62.09 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.904 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -63.96 -29.08 70.28 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.735 178.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.528 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 48.7 ttp -61.41 -45.5 94.05 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.666 176.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -56.44 -47.3 79.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.494 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -67.66 -33.12 74.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.589 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.478 HD21 HD21 ' B' ' 11' ' ' LEU . 28.9 tp -61.75 -45.94 91.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.942 175.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 8' ' ' MET . 29.9 mtpp -63.37 -40.96 98.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.942 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.37 -39.96 84.95 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.163 0.506 . . . . 0.0 110.171 174.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.962 ' HA ' ' HD2' ' A' ' 17' ' ' HIS . 29.6 t70 -67.43 -50.22 60.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.885 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.39 -33.77 75.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.272 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -83.59 -27.89 28.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.324 0.491 . . . . 0.0 112.324 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.962 ' HD2' ' HA ' ' A' ' 14' ' ' ASP . 1.4 p80 -73.44 -28.72 62.12 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 119.376 -0.93 . . . . 0.0 108.85 173.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.4 tp -75.04 -38.25 61.5 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 174.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -59.09 -49.18 78.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.14 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -69.86 -33.87 72.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.364 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -58.24 -58.51 8.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.331 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.45 ' HB ' HG22 ' B' ' 22' ' ' VAL . 11.0 p -64.8 -30.8 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.451 -177.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.43 71.65 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.896 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -65.44 -41.48 93.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.075 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.66 -48.51 79.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.324 -176.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -67.85 -30.2 69.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.829 0.347 . . . . 0.0 110.373 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.585 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 23.1 ttpp -79.68 -21.29 44.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.186 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.0 tp -76.92 -36.98 56.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 110.314 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.448 ' HB ' HG22 ' B' ' 29' ' ' VAL . 8.5 p -83.1 -29.61 8.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.027 175.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.29 -18.88 78.94 Favored Glycine 0 CA--C 1.519 0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.009 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.585 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 4.1 tp10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.333 0.587 . . . . 0.0 110.124 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 270' ' ' ILE . . . . . 0.499 HD13 HD23 ' D' ' 274' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 271' ' ' SER . . . . . 0.528 ' O ' ' HG ' ' D' ' 274' ' ' LEU . 50.6 m -65.21 -49.69 68.75 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.148 0.499 . . . . 0.0 110.482 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.35 -42.57 99.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.003 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -65.7 -44.95 84.61 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.22 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 274' ' ' LEU . . . . . 0.786 ' HB2' ' HE3' ' B' ' 1' ' ' MET . 3.8 pp -61.86 -42.48 99.11 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.809 -174.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -68.1 -45.47 73.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.232 0.539 . . . . 0.0 110.206 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -66.68 -50.88 61.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.098 -176.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 277' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' D' ' 281' ' ' MET . . . -64.01 -35.17 79.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.607 -174.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 278' ' ' LEU . . . . . 0.575 HD13 ' SD ' ' D' ' 281' ' ' MET . 4.1 mm? -74.99 -29.08 60.79 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.883 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -75.16 -35.35 61.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.236 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -56.51 -51.78 67.23 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.864 0.84 . . . . 0.0 110.171 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 281' ' ' MET . . . . . 0.612 ' O ' HG22 ' D' ' 284' ' ' ILE . 14.5 ptm -82.89 41.95 0.77 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.945 -172.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 282' ' ' THR . . . . . 0.455 ' HA ' ' NZ ' ' B' ' 7' ' ' LYS . 14.2 t -60.54 -12.12 8.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.847 0.356 . . . . 0.0 110.704 175.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 24.6 m -89.94 13.08 15.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.076 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 284' ' ' ILE . . . . . 0.612 HG22 ' O ' ' D' ' 281' ' ' MET . 7.2 tt . . . . . 0 C--O 1.246 0.908 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 173.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.873 0 N-CA-C 111.852 -0.499 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.786 ' HE3' ' HB2' ' D' ' 274' ' ' LEU . 50.5 tpp -120.16 90.17 3.27 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -77.1 -23.78 51.82 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.606 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.66 -65.54 0.54 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.912 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.69 ' HB ' HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -62.04 -46.87 95.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.616 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.595 178.152 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.536 ' HD3' HG13 ' B' ' 4' ' ' ILE . 20.7 mmtp -60.29 -45.78 92.16 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -172.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.88 -43.36 68.54 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.184 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.455 ' NZ ' ' HA ' ' D' ' 282' ' ' THR . 38.1 mtpt -72.94 -34.33 66.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.966 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.555 ' HA ' ' HB3' ' B' ' 11' ' ' LEU . 1.1 tmt? -65.21 -34.47 78.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.511 175.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.452 ' O ' HD23 ' B' ' 13' ' ' LEU . 53.2 tt0 -62.2 -46.81 87.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 26.6 ttt -62.38 -41.69 98.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.134 0.493 . . . . 0.0 109.887 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.555 ' HB3' ' HA ' ' B' ' 8' ' ' MET . 15.8 tp -54.13 -48.66 70.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.078 175.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.98 ' HE2' ' HA ' ' B' ' 12' ' ' LYS . 9.2 mmpt? -66.61 -33.05 74.8 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.36 -177.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.452 HD23 ' O ' ' B' ' 9' ' ' GLN . 4.0 mm? -64.9 -40.87 95.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.953 0.406 . . . . 0.0 110.223 175.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.703 ' HA ' ' HD2' ' B' ' 17' ' ' HIS . 1.2 t70 -70.45 -44.24 68.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.458 0.646 . . . . 0.0 109.789 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -40.57 89.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.732 177.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -66.21 -45.41 80.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.46 -177.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.703 ' HD2' ' HA ' ' B' ' 14' ' ' ASP . 12.2 p80 -66.99 -28.19 68.05 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 119.832 -0.747 . . . . 0.0 109.948 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.516 ' O ' HG23 ' B' ' 22' ' ' VAL . 96.9 mt -70.39 -52.62 21.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.334 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.36 -41.3 88.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.56 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -57.39 -47.76 80.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.603 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -62.35 -44.52 96.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.232 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 18' ' ' LEU . 83.9 t -61.24 -48.68 87.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.888 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.24 91.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.948 0.404 . . . . 0.0 111.315 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.425 ' HD3' ' HA ' ' B' ' 24' ' ' ARG . 80.8 mmt-85 -63.98 -40.59 96.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 tp -73.19 -35.71 66.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.827 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -56.91 -49.76 74.63 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.948 0.404 . . . . 0.0 110.788 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -69.8 -30.89 68.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.739 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.28 -46.51 70.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.053 0.454 . . . . 0.0 110.636 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.448 HG22 ' HB ' ' A' ' 29' ' ' VAL . 87.7 t -70.37 -35.04 60.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.726 178.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.86 -32.28 77.26 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.052 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.89 -42.96 99.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.368 0.604 . . . . 0.0 111.475 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.809 -171.919 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 270' ' ' ILE . . . . . 0.75 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 10.4 tt . . . . . 0 C--O 1.224 -0.281 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 23.0 t -60.5 -46.98 88.14 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.781 0.324 . . . . 0.0 110.325 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.03 -39.29 89.22 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.433 176.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 273' ' ' GLU . . . . . 0.462 ' O ' ' HB3' ' C' ' 276' ' ' HIS . 28.7 tt0 -66.95 -34.98 78.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.721 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 274' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 31.6 mt -69.56 -41.96 75.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.787 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -58.52 -45.88 87.92 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 276' ' ' HIS . . . . . 0.462 ' HB3' ' O ' ' C' ' 273' ' ' GLU . 22.7 t-80 -50.78 -55.48 16.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.177 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 277' ' ' ALA . . . . . 0.488 ' HB1' ' HD2' ' B' ' 5' ' ' LYS . . . -51.06 -52.78 39.87 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.448 -0.796 . . . . 0.0 113.118 -174.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 278' ' ' LEU . . . . . 0.558 ' HG ' ' HB3' ' A' ' 3' ' ' ALA . 2.4 mm? -75.75 -37.09 59.62 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.125 -175.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -68.98 -19.85 64.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.649 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -60.71 -28.62 68.79 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.649 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 281' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' C' ' 282' ' ' THR . 0.0 OUTLIER -109.43 -78.4 0.59 Allowed 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.191 -173.701 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 282' ' ' THR . . . . . 0.457 ' N ' ' SD ' ' C' ' 281' ' ' MET . 23.5 m 66.75 -0.98 1.45 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.832 0.825 . . . . 0.0 110.436 -173.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 283' ' ' SER . . . . . 0.4 ' H ' ' C ' ' C' ' 281' ' ' MET . 22.8 t -151.1 60.48 0.91 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.082 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 284' ' ' ILE . . . . . 0.639 HG22 ' HG3' ' B' ' 8' ' ' MET . 13.8 pt . . . . . 0 C--O 1.251 1.153 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.179 170.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.549 ' CE ' HD13 ' C' ' 274' ' ' LEU . 23.5 mmt -92.75 82.53 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.208 0.528 . . . . 0.0 109.945 -178.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.682 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 8.6 p-10 -67.51 -19.86 65.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.481 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.558 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -54.51 -64.63 0.77 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.384 175.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.981 HD12 ' HB ' ' B' ' 4' ' ' ILE . 0.2 OUTLIER -64.5 -37.92 81.27 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.723 176.396 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.682 ' HB2' ' HA ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -57.23 -52.62 64.57 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -176.158 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -78.62 -29.92 46.23 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.042 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -37.25 86.46 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 173.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.8 ttp -62.54 -38.94 91.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.297 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -57.5 -52.24 66.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.103 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.1 ttt -65.15 -39.09 92.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.607 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.851 HD11 HD21 ' B' ' 11' ' ' LEU . 9.4 tt -57.36 -54.33 48.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.733 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -65.2 -34.52 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.909 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.81 -46.79 81.4 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.98 -37.27 83.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.756 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.01 -49.62 71.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -62.9 -37.83 88.51 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.232 0.539 . . . . 0.0 109.861 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -57.52 -53.8 54.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.842 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.15 -57.36 8.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.246 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -48.99 -50.7 34.58 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.448 0.467 . . . . 0.0 111.644 -175.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 45.1 t30 -68.15 -46.45 70.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.49 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -65.49 -41.77 92.89 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.198 0.523 . . . . 0.0 110.512 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.644 HG11 HG12 ' B' ' 22' ' ' VAL . 74.2 t -66.16 -34.86 73.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.594 178.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.9 83.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.199 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 60.9 mtp180 -69.7 -34.93 74.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.612 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.31 -49.08 68.25 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.577 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.542 ' HE3' HG12 ' A' ' 22' ' ' VAL . 17.1 ptpt -73.03 -19.09 61.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.51 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 46.6 tttp -71.13 -39.45 71.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.173 171.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.32 -52.92 63.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.034 0.445 . . . . 0.0 110.76 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 p -77.53 -25.39 14.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.012 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.0 -17.74 66.73 Favored Glycine 0 C--O 1.229 -0.206 0 CA-C-N 115.913 -0.585 . . . . 0.0 113.129 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 6.1 tp10 . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 121.091 0.472 . . . . 0.0 110.534 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 270' ' ' ILE . . . . . 0.402 ' O ' HD13 ' D' ' 274' ' ' LEU . 11.8 tt . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 120.703 0.287 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 28.8 t -70.11 -35.81 74.4 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -66.18 -47.37 74.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.087 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -59.3 -58.46 8.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.204 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 274' ' ' LEU . . . . . 0.402 HD13 ' O ' ' D' ' 270' ' ' ILE . 6.3 mp -62.92 -46.81 86.05 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -174.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.03 -51.61 68.59 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.911 0.386 . . . . 0.0 110.05 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 276' ' ' HIS . . . . . 0.465 ' O ' ' HB2' ' D' ' 280' ' ' ASP . 2.0 t-80 -65.53 -40.37 92.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.855 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -69.65 -37.72 76.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -174.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 278' ' ' LEU . . . . . 0.546 ' HG ' ' SD ' ' B' ' 1' ' ' MET . 4.3 mm? -85.29 -24.07 27.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.878 0.37 . . . . 0.0 111.294 -177.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 279' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' D' ' 279' ' ' LYS . 29.2 ttmt -85.55 -19.07 31.67 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.571 0.701 . . . . 0.0 109.7 176.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 280' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' D' ' 276' ' ' HIS . 5.9 t70 -54.63 -46.51 73.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.938 -173.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 281' ' ' MET . . . . . 0.546 ' HG2' ' N ' ' D' ' 282' ' ' THR . 0.0 OUTLIER -89.8 -56.87 3.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.507 -0.477 . . . . 0.0 112.063 -173.632 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 282' ' ' THR . . . . . 0.546 ' N ' ' HG2' ' D' ' 281' ' ' MET . 0.4 OUTLIER 69.63 -32.6 0.23 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.51 0.724 . . . . 0.0 112.17 -174.551 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 283' ' ' SER . . . . . 0.453 ' H ' ' C ' ' D' ' 281' ' ' MET . 14.2 m -88.79 81.8 6.91 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.067 0.46 . . . . 0.0 111.336 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 284' ' ' ILE . . . . . 0.629 HG23 ' NZ ' ' B' ' 7' ' ' LYS . 1.7 tt . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.008 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.546 ' SD ' ' HG ' ' D' ' 278' ' ' LEU . 43.4 tpp -86.42 89.21 7.81 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -60.39 -25.75 66.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.051 -172.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.02 -69.09 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.917 0.389 . . . . 0.0 111.655 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.981 ' HB ' HD12 ' A' ' 4' ' ' ILE . 1.6 tp -72.81 -37.26 54.5 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.483 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.965 ' HA ' ' HE2' ' B' ' 5' ' ' LYS . 10.0 mmpt? -70.59 -47.21 61.31 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -172.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -68.69 -45.13 72.45 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.404 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.629 ' NZ ' HG23 ' D' ' 284' ' ' ILE . 8.0 mtmp? -66.63 -32.1 73.2 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.569 178.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.639 ' HG3' HG22 ' C' ' 284' ' ' ILE . 12.4 ttt -53.23 -47.87 68.65 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.91 0.386 . . . . 0.0 110.77 174.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.431 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 35.2 tt0 -59.4 -50.61 73.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.507 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 23.7 ttt -59.62 -46.88 87.67 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.198 0.523 . . . . 0.0 110.61 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.851 HD21 HD11 ' A' ' 11' ' ' LEU . 7.2 tp -50.96 -59.16 4.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.946 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -68.25 -28.7 67.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.551 -174.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 83.4 mt -67.92 -41.2 82.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.042 0.449 . . . . 0.0 110.044 174.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.651 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 34.6 t70 -63.93 -50.79 67.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.351 176.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -62.99 -32.74 74.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.57 -48.94 77.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.044 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.651 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 20.9 p80 -73.34 -23.64 60.26 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.187 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.622 ' O ' HG13 ' B' ' 22' ' ' VAL . 87.2 mt -67.53 -48.92 65.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.549 ' HA ' HG22 ' B' ' 22' ' ' VAL . 34.5 tt0 -61.6 -35.9 79.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.993 0.425 . . . . 0.0 110.008 177.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.654 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 44.6 t-20 -59.64 -48.77 80.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 175.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.35 -53.46 57.08 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.134 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.644 HG12 HG11 ' A' ' 22' ' ' VAL . 3.4 m -66.05 -27.84 42.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.241 -174.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.78 -41.39 83.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.061 0.458 . . . . 0.0 110.226 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' B' ' 20' ' ' ASN . 24.7 mmt180 -70.41 -36.84 74.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.594 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.471 ' O ' HG23 ' B' ' 29' ' ' VAL . 61.1 tp -62.62 -53.74 50.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.208 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -63.06 -34.63 78.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.914 0.388 . . . . 0.0 110.584 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -64.33 -40.48 95.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.624 177.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.7 -44.34 77.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.459 178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 25' ' ' LEU . 88.0 t -62.4 -38.1 80.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.21 -22.81 72.79 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.272 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -71.4 -48.04 52.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.436 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.072 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 270' ' ' ILE . . . . . 0.417 ' O ' HD13 ' C' ' 274' ' ' LEU . 16.0 tt . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 10.4 t -66.81 -34.38 77.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.302 0.572 . . . . 0.0 109.989 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -76.26 -37.36 57.69 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.52 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.6 -40.75 92.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.534 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 274' ' ' LEU . . . . . 0.524 ' O ' HD22 ' C' ' 278' ' ' LEU . 7.9 mp -57.53 -56.8 17.24 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 174.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 275' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' C' ' 279' ' ' LYS . 16.1 t70 -49.26 -47.67 46.48 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.659 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -59.91 -51.77 68.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.217 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -55.98 -40.82 73.84 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -174.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 278' ' ' LEU . . . . . 0.887 HD12 ' HE2' ' C' ' 281' ' ' MET . 0.8 OUTLIER -82.53 -19.34 38.82 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.605 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 279' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' C' ' 275' ' ' ASP . 0.7 OUTLIER -80.72 -27.77 36.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.462 178.132 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -56.31 -18.97 12.32 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.944 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 281' ' ' MET . . . . . 0.887 ' HE2' HD12 ' C' ' 278' ' ' LEU . 23.0 ptt? -128.27 34.7 4.52 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.454 -168.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 2.9 p -57.6 78.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.555 0.693 . . . . 0.0 112.633 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 283' ' ' SER . . . . . 0.41 ' N ' ' O ' ' C' ' 281' ' ' MET . 50.4 m -163.82 -36.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 284' ' ' ILE . . . . . 0.693 HG13 HD22 ' A' ' 11' ' ' LEU . 8.0 tt . . . . . 0 C--O 1.252 1.225 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.331 174.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 0' ' ' GLY . . . . . 0.593 ' HA2' ' CD ' ' D' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 112.258 -0.337 . . . . 0.0 112.258 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp -81.54 73.83 8.56 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 36.2 m-20 -57.61 -32.64 67.41 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.693 -175.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.2 -66.81 0.35 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.515 0.509 . . . . 0.0 111.582 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.488 HG23 ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -79.65 -36.98 17.95 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.493 -178.693 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.85 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -59.02 -48.68 80.71 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.655 0.264 . . . . 0.0 111.447 -177.17 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 0.7 OUTLIER -72.9 -42.77 63.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.384 -178.353 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.491 ' HE2' HG23 ' C' ' 284' ' ' ILE . 32.6 mtmm -70.76 -28.68 64.87 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 119.906 -0.717 . . . . 0.0 110.823 178.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.646 ' HG3' HD12 ' D' ' 284' ' ' ILE . 47.0 ttp -60.01 -44.47 94.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.866 0.365 . . . . 0.0 110.127 173.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.448 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 63.2 tt0 -60.52 -46.8 88.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.181 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -61.02 -46.25 91.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.169 177.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.891 HD21 HD21 ' B' ' 11' ' ' LEU . 15.7 tp -54.55 -53.09 59.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.307 176.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -65.47 -31.89 73.21 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.038 -177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 9' ' ' GLN . 90.3 mt -70.43 -38.77 74.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.975 0.417 . . . . 0.0 110.136 175.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.736 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 27.2 t70 -64.77 -48.86 72.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.825 176.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -35.96 80.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.218 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -64.22 -50.01 69.69 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.736 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 19.4 p80 -67.01 -26.02 66.58 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 119.876 -0.729 . . . . 0.0 110.328 -177.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.632 ' O ' HG23 ' A' ' 22' ' ' VAL . 94.0 mt -69.91 -61.98 1.56 Allowed 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -55.41 -38.96 69.61 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.065 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -64.33 -45.06 89.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.553 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.28 -37.21 86.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.208 0.528 . . . . 0.0 109.592 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 18' ' ' LEU . 47.7 t -65.72 -40.5 87.99 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.286 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.211 175.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . . . -61.68 -41.09 97.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.001 0.429 . . . . 0.0 110.249 176.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -60.61 -46.91 88.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.979 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.472 HD11 HG11 ' B' ' 29' ' ' VAL . 1.4 tm? -67.5 -46.26 73.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.751 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.642 ' HA ' HG12 ' A' ' 29' ' ' VAL . 18.1 ptpt -66.27 -30.06 70.41 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-O 120.685 0.278 . . . . 0.0 111.118 -176.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -73.82 -36.6 64.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.338 0.59 . . . . 0.0 109.658 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.58 -46.07 67.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.183 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.72 HG11 HD11 ' B' ' 25' ' ' LEU . 9.1 p -76.02 -23.4 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.991 0.424 . . . . 0.0 110.694 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.71 -44.04 72.54 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.219 175.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.218 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 270' ' ' ILE . . . . . 0.48 HD11 HD22 ' C' ' 274' ' ' LEU . 11.9 tt . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 120.402 0.144 . . . . 0.0 111.361 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 11.7 p -69.98 -38.47 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.779 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 272' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' D' ' 275' ' ' ASP . 34.5 tp10 -63.94 -40.52 96.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.07 0.462 . . . . 0.0 109.758 172.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 273' ' ' GLU . . . . . 0.593 ' CD ' ' HA2' ' A' ' 0' ' ' GLY . 11.2 tp10 -62.51 -52.27 64.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.089 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 274' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.33 -28.44 70.01 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.803 0.335 . . . . 0.0 110.76 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 275' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' D' ' 279' ' ' LYS . 15.5 t70 -59.64 -53.31 59.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.148 175.081 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 276' ' ' HIS . . . . . 0.403 ' HD2' ' O ' ' D' ' 272' ' ' GLU . 93.9 m-70 -73.08 -28.1 62.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.104 -177.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -63.83 -47.48 80.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.365 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 278' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' D' ' 278' ' ' LEU . 3.5 mm? -85.94 -21.75 27.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.365 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 279' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' D' ' 275' ' ' ASP . 1.7 mptm? -69.34 -31.36 69.74 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.231 0.539 . . . . 0.0 110.051 173.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -47.69 -64.7 0.72 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.49 -1.232 . . . . 0.0 113.211 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 281' ' ' MET . . . . . 0.626 ' HG2' ' N ' ' D' ' 282' ' ' THR . 0.0 OUTLIER -75.26 -57.63 3.78 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.478 -170.891 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 282' ' ' THR . . . . . 0.626 ' N ' ' HG2' ' D' ' 281' ' ' MET . 1.3 t 49.38 14.19 0.09 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.119 0.968 . . . . 0.0 111.89 -171.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 20.1 m -151.19 69.59 0.95 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.875 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 284' ' ' ILE . . . . . 0.646 HD12 ' HG3' ' A' ' 8' ' ' MET . 10.0 tt . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.05 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.8 mmm -76.94 98.21 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.21 -29.93 70.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.431 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.58 -62.66 1.57 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.823 0.344 . . . . 0.0 111.251 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.472 HG12 HG13 ' A' ' 4' ' ' ILE . 1.5 tp -68.53 -35.5 70.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.734 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.757 ' HA ' ' HE2' ' B' ' 5' ' ' LYS . 0.5 OUTLIER -61.71 -52.33 64.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.454 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' B' ' 9' ' ' GLN . 63.0 tttp -69.93 -42.73 72.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.026 0.441 . . . . 0.0 110.922 -176.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.614 ' HB3' ' OXT' ' D' ' 284' ' ' ILE . 19.4 mtmm -64.02 -40.81 97.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.49 ' HA ' ' HB3' ' B' ' 11' ' ' LEU . 12.9 ttp -58.69 -37.15 75.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.736 0.303 . . . . 0.0 110.777 176.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' B' ' 6' ' ' LYS . 63.0 tt0 -56.75 -53.87 52.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.065 177.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 82.7 mtp -66.8 -35.08 79.24 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.52 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.891 HD21 HD21 ' A' ' 11' ' ' LEU . 27.6 tp -57.07 -55.96 27.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.442 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -63.51 -39.92 95.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.714 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 92.7 mt -59.6 -37.97 79.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.93 0.395 . . . . 0.0 110.331 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.74 ' HA ' ' HD2' ' B' ' 17' ' ' HIS . 22.8 t70 -65.89 -46.46 78.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.101 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.21 -43.48 78.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.066 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -65.46 -43.04 91.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.927 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.74 ' HD2' ' HA ' ' B' ' 14' ' ' ASP . 2.1 p80 -72.97 -29.98 63.48 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.902 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.633 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.0 tm? -60.99 -49.1 78.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 175.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.86 -25.82 68.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.677 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -70.69 -48.38 54.99 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -42.2 93.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.829 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.633 HG23 ' O ' ' B' ' 18' ' ' LEU . 86.3 t -60.38 -49.69 83.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.929 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.93 -45.17 74.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.02 0.438 . . . . 0.0 111.061 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -67.78 -40.57 83.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.559 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.72 HD11 HG11 ' A' ' 29' ' ' VAL . 51.9 tp -67.97 -45.68 73.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.45 -177.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.616 ' HA ' HG12 ' B' ' 29' ' ' VAL . 14.0 ptmm? -71.53 -26.95 62.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.833 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -70.16 -42.19 72.83 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 172.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 tp -60.33 -53.67 54.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.688 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' B' ' 26' ' ' LYS . 10.9 p -64.67 -26.71 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-O 121.013 0.435 . . . . 0.0 110.564 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.72 -25.11 74.83 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.907 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.494 ' HB3' HH11 ' B' ' 32' ' ' ARG . 32.6 tt0 -81.83 -37.28 27.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.392 0.139 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.494 HH11 ' HB3' ' B' ' 31' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.802 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 270' ' ' ILE . . . . . 0.656 HD13 HD12 ' D' ' 270' ' ' ILE . 12.6 tt . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.457 0.17 . . . . 0.0 110.713 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 29.4 t -64.05 -37.22 86.63 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.86 -46.89 88.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.906 173.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -62.75 -46.75 86.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.079 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 274' ' ' LEU . . . . . 0.637 ' HG ' ' CE ' ' B' ' 1' ' ' MET . 8.1 mp -65.54 -34.43 78.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.813 -0.176 . . . . 0.0 110.748 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.33 -48.13 77.37 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.166 0.508 . . . . 0.0 109.823 175.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 276' ' ' HIS . . . . . 0.486 ' HA ' ' HB2' ' C' ' 279' ' ' LYS . 12.0 m170 -74.1 -24.38 59.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.552 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -67.07 -40.54 87.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.906 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 278' ' ' LEU . . . . . 0.608 ' CD1' ' HB ' ' A' ' 4' ' ' ILE . 2.6 mm? -86.09 -31.93 21.64 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.731 177.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 279' ' ' LYS . . . . . 0.486 ' HB2' ' HA ' ' C' ' 276' ' ' HIS . 36.1 mttp -65.59 -19.19 65.82 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.896 0.379 . . . . 0.0 110.93 173.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -50.89 -47.52 60.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.569 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 281' ' ' MET . . . . . 0.492 ' SD ' ' N ' ' C' ' 282' ' ' THR . 0.0 OUTLIER -110.04 -57.3 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.102 -174.497 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 282' ' ' THR . . . . . 0.492 ' N ' ' SD ' ' C' ' 281' ' ' MET . 57.1 p 49.37 23.09 0.79 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.6 0.76 . . . . 0.0 112.095 -174.18 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 78.8 p -126.3 8.29 7.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 284' ' ' ILE . . . . . 0.488 HG13 ' OXT' ' C' ' 284' ' ' ILE . 10.2 pt . . . . . 0 C--O 1.243 0.728 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.741 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 CA-C-O 119.36 -0.689 . . . . 0.0 113.187 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.545 ' HG2' ' HG3' ' D' ' 273' ' ' GLU . 82.8 mmm -49.36 101.18 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 117.533 0.666 . . . . 0.0 110.775 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -66.84 -34.28 77.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.099 -0.955 . . . . 0.0 113.069 -168.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.475 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -52.13 -67.3 0.26 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -176.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.608 ' HB ' ' CD1' ' C' ' 278' ' ' LEU . 0.0 OUTLIER -73.31 -33.56 41.26 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.998 -177.097 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.784 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -60.23 -44.7 94.99 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.89 179.207 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -64.25 -52.19 59.93 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.337 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HE3' ' OXT' ' C' ' 284' ' ' ILE . 26.6 mtpp -65.61 -38.59 89.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.011 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.418 ' HG3' HG13 ' D' ' 284' ' ' ILE . 24.7 ttp -57.12 -40.81 77.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.875 178.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.8 -45.12 79.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.264 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.51 -40.02 95.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.449 0.642 . . . . 0.0 110.064 177.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.72 -51.43 69.38 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.648 175.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.845 ' HA ' ' HE3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -62.18 -37.98 87.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.094 -176.537 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 14' ' ' ASP . 4.5 pp -74.28 -30.34 62.05 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.811 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.479 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 26.5 t0 -67.75 -44.1 78.3 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.554 0.692 . . . . 0.0 109.151 174.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -36.11 82.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.428 176.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -61.1 -49.92 75.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.16 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.479 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 22.0 p80 -69.48 -34.96 75.11 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 119.811 -0.755 . . . . 0.0 110.113 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 22' ' ' VAL . 68.1 mt -63.86 -50.2 69.74 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.735 177.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.24 -31.35 68.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.086 0.47 . . . . 0.0 110.374 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.631 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 2.4 t30 -76.16 -46.06 30.44 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -61.7 -38.93 89.67 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.24 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 18' ' ' LEU . 94.4 t -60.87 -49.03 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.2 97.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.631 ' HG2' ' O ' ' A' ' 20' ' ' ASN . 34.1 mmt180 -63.99 -43.41 95.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.705 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.1 tp -67.5 -39.86 85.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.45 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.27 -34.68 78.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.611 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -36.19 67.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.322 177.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.42 -48.38 75.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.0 p -74.25 -25.11 19.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.451 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.19 -28.56 59.99 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.136 -0.554 . . . . 0.0 111.925 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 121.305 0.574 . . . . 0.0 109.872 176.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 270' ' ' ILE . . . . . 0.656 HD12 HD13 ' C' ' 270' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.396 0 CA-C-O 120.576 0.227 . . . . 0.0 110.419 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 39.2 m -64.33 -46.77 82.07 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.177 0.513 . . . . 0.0 110.334 176.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.79 -36.5 84.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.608 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 273' ' ' GLU . . . . . 0.545 ' HG3' ' HG2' ' A' ' 1' ' ' MET . 10.1 tp10 -57.18 -61.47 2.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.384 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 274' ' ' LEU . . . . . 0.573 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 4.2 pp -58.16 -38.26 76.27 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.806 0.336 . . . . 0.0 111.0 -176.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 275' ' ' ASP . . . . . 0.456 ' N ' HD12 ' D' ' 274' ' ' LEU . 19.8 t70 -63.43 -52.25 62.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 178.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -67.16 -38.07 84.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.969 -176.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.95 88.5 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -175.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 278' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' D' ' 278' ' ' LEU . 4.4 mm? -81.79 -27.98 33.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.087 0.47 . . . . 0.0 111.676 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -84.05 -17.9 38.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.979 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -46.0 68.06 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.411 -177.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 281' ' ' MET . . . . . 0.41 ' HG3' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -94.71 -35.65 12.06 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.236 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 282' ' ' THR . . . . . 0.558 ' O ' ' HE2' ' B' ' 7' ' ' LYS . 62.9 m 70.39 -57.74 0.57 Allowed 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.011 0.819 . . . . 0.0 111.525 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 24.1 m -98.15 75.02 2.28 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.303 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 284' ' ' ILE . . . . . 0.446 HD12 HD11 ' A' ' 4' ' ' ILE . 3.7 tt . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.532 -0.747 . . . . 0.0 109.462 170.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.637 ' CE ' ' HG ' ' C' ' 274' ' ' LEU . 75.9 mtm -135.35 98.98 4.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.921 0.391 . . . . 0.0 110.553 176.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -85.48 -19.63 30.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.313 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -45.03 -58.29 3.28 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.658 0.599 . . . . 0.0 111.914 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.427 HG23 ' HE3' ' B' ' 5' ' ' LYS . 0.1 OUTLIER -63.72 -49.35 82.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.3 -179.49 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.434 ' HA ' ' HB3' ' B' ' 8' ' ' MET . 0.0 OUTLIER -67.98 -33.07 73.93 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -173.485 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -71.86 -48.38 46.37 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.558 ' HE2' ' O ' ' D' ' 282' ' ' THR . 17.4 mtpp -69.33 -32.75 72.06 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.434 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 2.6 ttt -55.61 -42.35 74.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.864 172.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -63.14 -43.7 97.61 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 44.7 mtt -62.49 -47.15 85.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.509 0.671 . . . . 0.0 109.747 174.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' B' ' 8' ' ' MET . 10.2 tp -52.78 -57.72 9.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.218 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -64.31 -40.91 96.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.812 -175.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.79 -38.69 89.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.965 0.412 . . . . 0.0 110.332 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.71 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 17.9 t70 -64.81 -47.02 79.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.997 176.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -38.11 85.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.124 178.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -70.89 -32.16 69.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.71 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 6.8 p80 -77.85 -24.78 48.48 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.408 174.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.565 ' O ' HG23 ' B' ' 22' ' ' VAL . 55.6 mt -69.59 -51.53 34.39 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.592 175.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -30.59 71.69 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.743 0.306 . . . . 0.0 110.585 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -63.26 -46.98 84.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.277 0.56 . . . . 0.0 109.671 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -62.51 -43.98 97.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.647 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.572 HG12 ' HE3' ' B' ' 26' ' ' LYS . 87.1 t -56.85 -44.62 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.944 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.89 -45.47 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.7 -27.53 61.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.79 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 44.8 tp -68.88 -49.58 57.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.463 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.572 ' HE3' HG12 ' B' ' 22' ' ' VAL . 18.8 ptpt -70.62 -19.72 62.8 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.944 0.402 . . . . 0.0 110.286 178.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -67.41 -47.67 69.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.467 172.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' B' ' 31' ' ' GLU . 7.6 tt -65.89 -47.4 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.168 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.3 -32.2 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.68 -33.3 86.88 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.569 175.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' B' ' 28' ' ' LEU . 45.5 mm-40 -65.9 -19.49 65.89 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.733 0.413 . . . . 0.0 110.789 174.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' B' ' 28' ' ' LEU . 15.9 mmt180 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.3 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 270' ' ' ILE . . . . . 0.72 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 8.5 tt . . . . . 0 C--O 1.225 -0.211 0 CA-C-O 120.788 0.328 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 42.4 t -64.49 -46.4 83.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.203 0.525 . . . . 0.0 109.632 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -59.98 -42.76 94.88 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.562 172.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 273' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' C' ' 270' ' ' ILE . 11.4 tp10 -55.11 -57.72 10.59 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.01 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 274' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 54.1 mt -55.92 -42.08 75.52 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 123.278 0.361 . . . . 0.0 111.237 -175.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 275' ' ' ASP . . . . . 0.616 ' O ' ' HB2' ' C' ' 279' ' ' LYS . 32.8 t70 -58.36 -58.78 6.97 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 276' ' ' HIS . . . . . 0.421 ' HA ' ' HB2' ' C' ' 279' ' ' LYS . 34.8 m80 -71.69 -19.28 62.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.391 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 277' ' ' ALA . . . . . 0.401 ' HA ' ' HA2' ' B' ' 0' ' ' GLY . . . -63.71 -47.48 80.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.825 0.345 . . . . 0.0 110.496 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 278' ' ' LEU . . . . . 0.562 ' CD1' ' HB ' ' A' ' 4' ' ' ILE . 3.8 mm? -87.68 -25.49 23.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.139 0.495 . . . . 0.0 111.178 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 279' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' C' ' 275' ' ' ASP . 1.2 tmtm? -66.69 -20.09 65.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.438 0.637 . . . . 0.0 109.533 172.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.72 -39.12 61.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.868 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 281' ' ' MET . . . . . 0.569 ' SD ' ' HE2' ' B' ' 5' ' ' LYS . 0.6 OUTLIER -111.35 -67.05 1.02 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.182 -165.509 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 282' ' ' THR . . . . . 0.525 ' H ' ' HG2' ' C' ' 281' ' ' MET . 40.2 m 71.43 -37.23 0.39 Allowed 'General case' 0 CA--C 1.536 0.411 0 O-C-N 123.362 0.414 . . . . 0.0 111.089 -170.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 283' ' ' SER . . . . . 0.495 ' H ' ' C ' ' C' ' 281' ' ' MET . 7.9 m -89.9 79.67 6.59 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.398 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 284' ' ' ILE . . . . . 0.664 HD11 HD11 ' D' ' 284' ' ' ILE . 4.9 tt . . . . . 0 C--N 1.32 -0.681 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 171.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.7 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.675 ' HG3' HG22 ' A' ' 4' ' ' ILE . 40.4 tpp -140.95 50.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.632 0.729 . . . . 0.0 109.277 175.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.64 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 59.2 m-20 -57.45 -18.4 18.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.168 -177.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.53 -70.28 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.579 172.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.675 HG22 ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -70.84 -33.38 52.11 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.545 178.183 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.64 ' HB2' ' HA ' ' A' ' 2' ' ' ASP . 10.5 mmmm -59.92 -45.1 93.67 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.828 -177.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 9' ' ' GLN . 61.3 tttp -79.66 -32.01 41.49 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.952 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.547 ' HB3' ' O ' ' C' ' 284' ' ' ILE . 20.6 mtpp -65.74 -39.56 91.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 174.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 ttp -59.65 -38.3 81.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.363 174.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.567 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 54.6 tt0 -55.27 -54.81 38.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.192 176.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.463 ' HA ' HD12 ' A' ' 13' ' ' LEU . 87.0 mtp -65.02 -36.48 84.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.844 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.433 HD21 HD21 ' B' ' 11' ' ' LEU . 55.8 tp -57.93 -49.08 77.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.651 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -67.53 -32.66 73.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.978 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 9' ' ' GLN . 92.0 mt -59.63 -40.7 88.48 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.243 0.544 . . . . 0.0 110.366 176.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.536 ' HA ' ' HD2' ' A' ' 17' ' ' HIS . 2.4 t70 -65.06 -41.72 94.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.621 177.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -34.99 79.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.976 177.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.415 ' HD2' ' HA ' ' A' ' 13' ' ' LEU . 13.7 m-85 -61.1 -49.48 77.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.26 178.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.536 ' HD2' ' HA ' ' A' ' 14' ' ' ASP . 13.8 p80 -70.36 -25.25 63.19 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.3 -178.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.1 mt -71.69 -49.22 41.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.326 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.474 ' HA ' HG12 ' A' ' 22' ' ' VAL . 32.2 tt0 -62.49 -46.49 88.23 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.504 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.77 -40.74 84.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.448 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.18 -46.3 67.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.315 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.532 ' HB ' HG22 ' B' ' 22' ' ' VAL . 12.1 p -66.68 -34.85 72.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.28 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.51 98.53 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.391 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -57.59 -45.82 84.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.5 tp -72.46 -39.61 67.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.536 ' HE2' HD22 ' B' ' 25' ' ' LEU . 71.7 mmtt -58.43 -42.66 87.79 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.19 0.519 . . . . 0.0 109.884 173.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -43.62 95.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.887 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -63.55 -51.19 66.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.979 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.5 p -70.82 -22.76 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.939 0.399 . . . . 0.0 111.177 -177.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.76 -19.62 57.65 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.06 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 C--N 1.325 -0.461 0 C-N-CA 122.601 0.36 . . . . 0.0 111.132 -176.77 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 270' ' ' ILE . . . . . 0.489 HD13 HD13 ' C' ' 270' ' ' ILE . 9.4 tt . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.533 0.206 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 20.8 p -66.92 -41.52 86.94 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.049 178.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -56.43 -45.65 80.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.012 171.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.9 -47.31 85.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.484 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 274' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' D' ' 270' ' ' ILE . 62.6 mt -67.41 -44.86 77.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.767 0.318 . . . . 0.0 110.541 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -57.85 -48.77 78.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.125 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.78 -37.07 86.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.548 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 277' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' D' ' 280' ' ' ASP . . . -76.13 -35.17 59.36 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 278' ' ' LEU . . . . . 0.605 HD12 ' HB ' ' B' ' 4' ' ' ILE . 3.7 mm? -86.81 -30.27 21.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -80.56 -18.29 48.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.982 0.42 . . . . 0.0 110.027 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 280' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' D' ' 277' ' ' ALA . 20.3 t70 -37.56 -67.2 0.2 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.696 -1.138 . . . . 0.0 113.443 175.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 281' ' ' MET . . . . . 0.613 ' HE1' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -80.73 -42.15 22.37 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -169.376 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 282' ' ' THR . . . . . . . . . . . . . 46.3 p 59.27 -28.1 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.343 1.057 . . . . 0.0 113.188 -170.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 283' ' ' SER . . . . . 0.529 ' H ' ' C ' ' D' ' 281' ' ' MET . 49.6 m -92.78 85.68 5.28 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.165 0.507 . . . . 0.0 110.772 175.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 284' ' ' ILE . . . . . 0.664 HD11 HD11 ' C' ' 284' ' ' ILE . 4.3 tt . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 0' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' C' ' 277' ' ' ALA . . . . . . . . 0 N--CA 1.482 1.705 0 CA-C-O 119.789 -0.451 . . . . 0.0 112.579 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.7 mtp 58.5 90.54 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.143 0.577 . . . . 0.0 110.559 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.12 -31.93 65.81 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.45 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -47.03 -75.38 0.03 OUTLIER 'General case' 0 C--O 1.238 0.488 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.605 ' HB ' HD12 ' D' ' 278' ' ' LEU . 0.0 OUTLIER -69.04 -25.21 29.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.217 -176.225 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.569 ' HE2' ' SD ' ' C' ' 281' ' ' MET . 0.0 OUTLIER -78.02 -39.34 42.39 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.239 -0.585 . . . . 0.0 112.125 -173.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -66.28 -44.11 84.49 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.455 ' HE3' ' CG2' ' D' ' 284' ' ' ILE . 22.1 mtpp -66.18 -41.96 89.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.726 177.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.4 ttt -49.71 -46.65 50.41 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.349 0.406 . . . . 0.0 111.466 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -64.3 -42.8 96.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.975 0.416 . . . . 0.0 110.275 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 77.0 mtp -63.56 -37.42 87.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.363 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.433 HD21 HD21 ' A' ' 11' ' ' LEU . 37.5 tp -67.9 -40.39 83.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.248 178.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -60.46 -45.78 92.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.816 0.341 . . . . 0.0 110.133 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.45 -34.47 78.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.251 176.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.639 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 8.0 t70 -63.82 -52.06 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.289 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -59.08 -34.45 71.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.046 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -59.23 -50.85 72.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.05 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.639 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 21.3 p80 -73.59 -24.43 60.06 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.526 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 22' ' ' VAL . 95.3 mt -67.32 -48.19 68.31 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 174.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.0 -44.13 97.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.354 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.53 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 95.4 m-20 -59.76 -44.2 93.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.702 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -55.53 -54.9 38.17 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.297 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 22' ' ' VAL . 58.5 t -59.38 -43.14 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.821 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.81 -46.83 86.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.551 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' B' ' 20' ' ' ASN . 11.3 mmp_? -65.12 -35.28 80.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.536 HD22 ' HE2' ' A' ' 26' ' ' LYS . 47.9 tp -69.31 -41.9 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.455 ' HE3' ' CG1' ' B' ' 22' ' ' VAL . 96.7 mttt -66.55 -28.68 68.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.477 177.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.469 ' O ' ' HD2' ' B' ' 27' ' ' LYS . 0.4 OUTLIER -71.28 -45.71 62.52 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.807 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 tp -54.21 -53.3 55.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.337 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.06 -33.77 16.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.171 -177.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.77 -19.63 79.83 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.889 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -63.41 -22.43 66.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.973 0.416 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.43 177.295 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 270' ' ' ILE . . . . . 0.665 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 2.6 tt . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.628 0.251 . . . . 0.0 110.705 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 41.1 m -63.51 -38.64 91.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.612 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -58.86 -46.97 86.52 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.151 0.501 . . . . 0.0 110.002 174.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -57.68 -49.37 76.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.646 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 274' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 47.4 mt -65.33 -44.04 89.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.977 -177.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.0 -48.76 72.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.657 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -67.42 -44.54 78.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.014 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.22 96.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.387 -177.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 278' ' ' LEU . . . . . 0.474 ' HG ' ' SD ' ' A' ' 1' ' ' MET . 4.6 mm? -85.51 -19.66 30.84 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.973 -176.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -76.37 -27.73 56.5 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -44.23 -57.51 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.4 -1.273 . . . . 0.0 113.654 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 281' ' ' MET . . . . . 0.711 ' HG3' HG23 ' C' ' 284' ' ' ILE . 0.0 OUTLIER -81.26 -47.82 12.86 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.463 -172.123 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 282' ' ' THR . . . . . 0.689 ' H ' ' HG2' ' C' ' 281' ' ' MET . 7.3 m 71.8 -45.33 0.62 Allowed 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.847 -1.07 . . . . 0.0 112.449 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 39.8 m -119.09 71.61 0.86 Allowed 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 120.844 0.354 . . . . 0.0 111.604 -176.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 284' ' ' ILE . . . . . 0.711 HG23 ' HG3' ' C' ' 281' ' ' MET . 29.9 pt . . . . . 0 C--O 1.252 1.198 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.901 168.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 112.744 -0.142 . . . . 0.0 112.744 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.519 ' HB3' ' NZ ' ' A' ' 5' ' ' LYS . 51.7 tpp -92.04 75.71 5.49 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 117.333 0.567 . . . . 0.0 109.59 176.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 4.8 p-10 -78.94 -21.56 47.05 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.55 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.456 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -53.24 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.229 -176.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.611 HD12 ' HB ' ' B' ' 4' ' ' ILE . 0.6 OUTLIER -69.58 -36.48 71.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.625 -178.022 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.519 ' NZ ' ' HB3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -62.16 -45.34 93.85 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.349 -0.54 . . . . 0.0 112.08 -176.7 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 12.4 mptt -71.79 -34.95 69.83 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.545 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -63.76 -42.0 97.89 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.692 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.627 ' SD ' ' HE3' ' D' ' 281' ' ' MET . 19.0 ttp -55.71 -46.43 77.72 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 120.719 0.295 . . . . 0.0 110.99 177.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.4 ' O ' HD23 ' A' ' 13' ' ' LEU . 24.3 tt0 -58.72 -52.63 64.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.955 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.1 ttm -59.77 -40.32 87.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.235 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.405 HD12 ' C ' ' C' ' 284' ' ' ILE . 8.1 tt -59.6 -57.51 12.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.812 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 12' ' ' LYS . 13.4 mmmm -66.9 -36.21 81.75 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.179 -176.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 9' ' ' GLN . 3.8 mm? -60.54 -43.0 97.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.015 0.436 . . . . 0.0 109.862 173.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.755 ' HA ' ' ND1' ' A' ' 17' ' ' HIS . 28.1 t0 -65.57 -42.28 91.98 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.098 177.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -39.1 84.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.395 177.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -61.28 -39.24 89.68 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.755 ' ND1' ' HA ' ' A' ' 14' ' ' ASP . 7.1 m80 -62.89 -56.65 15.39 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -52.28 -48.6 65.23 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.378 -1.283 . . . . 0.0 111.197 -179.267 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -54.96 -54.48 42.3 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 122.923 0.489 . . . . 0.0 110.779 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.22 -33.77 76.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.855 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.74 -46.03 87.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.337 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.706 HG22 ' HB ' ' B' ' 22' ' ' VAL . 80.5 t -60.46 -43.53 94.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.49 -48.84 80.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.924 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -58.47 -47.34 84.38 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.873 HD11 HG11 ' B' ' 29' ' ' VAL . 19.3 tp -65.9 -42.35 90.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.149 -175.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -59.03 -41.27 87.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.893 0.378 . . . . 0.0 111.047 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -69.25 -44.96 70.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.056 0.455 . . . . 0.0 110.107 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.37 -49.0 78.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.78 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.68 HG11 HD11 ' B' ' 25' ' ' LEU . 11.5 p -64.08 -36.09 75.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.937 -177.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.25 -19.48 76.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.986 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--N 1.327 -0.399 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.44 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 270' ' ' ILE . . . . . 0.653 ' O ' ' HG ' ' D' ' 274' ' ' LEU . 14.0 tt . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.276 0.084 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 46.6 t -66.07 -38.02 87.27 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.45 -42.24 98.45 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.94 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 273' ' ' GLU . . . . . 0.554 ' HG3' ' N ' ' D' ' 274' ' ' LEU . 0.0 OUTLIER -68.36 -37.49 80.5 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.6 -179.371 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 274' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' D' ' 270' ' ' ILE . 77.5 mt -54.53 -49.94 69.04 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.409 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 275' ' ' ASP . . . . . 0.483 ' O ' ' HD3' ' D' ' 279' ' ' LYS . 20.4 t70 -70.37 -50.04 42.92 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.398 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -55.48 -52.24 64.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.356 -177.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 277' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' D' ' 281' ' ' MET . . . -70.48 -45.97 64.66 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -173.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 278' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' D' ' 278' ' ' LEU . 4.6 mm? -67.57 -23.54 65.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.022 0.439 . . . . 0.0 110.646 -178.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 279' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' D' ' 275' ' ' ASP . 1.6 mptm? -85.67 -24.22 27.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.882 174.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -63.81 -51.1 66.27 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 121.827 0.822 . . . . 0.0 109.567 171.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 281' ' ' MET . . . . . 0.627 ' HE3' ' SD ' ' A' ' 8' ' ' MET . 12.9 ptm -86.09 47.87 1.52 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.242 -1.344 . . . . 0.0 111.708 -172.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 282' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.93 31.18 0.05 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.131 0.491 . . . . 0.0 111.383 174.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 283' ' ' SER . . . . . 0.505 ' H ' ' C ' ' D' ' 281' ' ' MET . 7.1 p -130.25 10.94 5.39 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.687 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 284' ' ' ILE . . . . . 0.868 HG13 HD22 ' B' ' 11' ' ' LEU . 5.5 tt . . . . . 0 C--O 1.242 0.707 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 171.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.42 ' SD ' HD22 ' C' ' 274' ' ' LEU . 63.5 mtp -124.94 91.59 3.47 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -62.23 -31.7 72.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.019 -174.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -44.95 -68.97 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.921 0.763 . . . . 0.0 111.476 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.611 ' HB ' HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -58.86 -33.51 49.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.928 -178.408 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -70.35 -52.76 20.27 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -171.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 36.5 tttp -73.46 -30.87 63.45 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.139 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.741 ' HE3' HG23 ' D' ' 284' ' ' ILE . 26.6 mtpp -68.02 -39.01 83.22 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 174.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.528 ' SD ' ' HE3' ' C' ' 281' ' ' MET . 1.4 ttt -55.73 -45.79 77.91 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.587 172.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -56.38 -50.1 72.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.464 -176.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 36.2 ttm -69.67 -35.13 74.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.537 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.868 HD22 HG13 ' D' ' 284' ' ' ILE . 61.1 tp -61.97 -50.7 71.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.188 176.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.848 ' HE2' ' HA ' ' B' ' 12' ' ' LYS . 10.0 mmpt? -66.53 -37.24 84.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.778 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.88 -39.67 86.09 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.06 0.457 . . . . 0.0 110.086 173.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.782 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 20.5 t70 -65.6 -45.84 81.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.318 176.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.94 -44.15 97.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.95 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -70.17 -35.66 74.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.782 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 8.2 p80 -70.26 -29.83 66.72 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.774 178.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 53.8 tp -73.06 -40.69 64.86 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.886 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.36 -42.76 99.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.08 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -61.41 -41.44 97.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.036 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -55.52 -55.41 32.23 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.978 176.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.706 ' HB ' HG22 ' A' ' 22' ' ' VAL . 11.5 p -71.11 -29.13 35.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.186 -176.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.97 -48.46 73.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.719 0.295 . . . . 0.0 110.754 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -65.76 -37.14 85.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.038 0.447 . . . . 0.0 110.557 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.68 HD11 HG11 ' A' ' 29' ' ' VAL . 21.3 tp -67.4 -43.76 80.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.31 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.443 ' HA ' HG12 ' B' ' 29' ' ' VAL . 85.7 mttt -63.38 -29.22 70.56 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.095 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -69.47 -46.37 66.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.213 0.53 . . . . 0.0 109.853 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -66.06 -52.71 46.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.073 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.873 HG11 HD11 ' A' ' 25' ' ' LEU . 7.3 p -73.58 -24.04 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.001 0.429 . . . . 0.0 110.641 -178.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.67 -24.8 71.52 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.027 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.79 -37.54 79.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.07 0.462 . . . . 0.0 109.921 174.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.5 ' NH2' ' HA ' ' A' ' 29' ' ' VAL . 4.4 ptm180 . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.695 178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 270' ' ' ILE . . . . . 0.496 ' O ' HD13 ' C' ' 274' ' ' LEU . 2.9 tt . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.563 0.221 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 56.8 m -61.24 -45.3 95.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.674 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -55.06 -44.99 75.28 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 273' ' ' GLU . . . . . 0.454 ' HG3' ' HA2' ' B' ' 0' ' ' GLY . 13.7 tp10 -66.84 -37.2 84.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.569 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 274' ' ' LEU . . . . . 0.522 ' HG ' ' HE1' ' A' ' 1' ' ' MET . 0.5 OUTLIER -65.97 -48.5 71.04 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 176.114 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 275' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' C' ' 279' ' ' LYS . 76.2 m-20 -52.81 -51.15 61.92 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -52.7 -58.13 7.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.016 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 277' ' ' ALA . . . . . 0.498 ' HB2' ' HA3' ' B' ' 0' ' ' GLY . . . -58.04 -37.93 75.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.246 -174.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 278' ' ' LEU . . . . . 0.571 ' CD1' ' HB ' ' A' ' 4' ' ' ILE . 3.5 mm? -81.38 -22.68 38.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -177.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 279' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' C' ' 275' ' ' ASP . 29.7 mtpp -84.7 -19.5 32.68 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.727 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -61.94 -30.63 71.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.591 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 281' ' ' MET . . . . . 0.502 ' SD ' ' HA ' ' C' ' 278' ' ' LEU . 0.8 OUTLIER -67.41 -78.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -174.239 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 69.2 p 63.33 -26.47 0.07 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.852 1.261 . . . . 0.0 113.143 -176.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 283' ' ' SER . . . . . 0.474 ' H ' ' C ' ' C' ' 281' ' ' MET . 31.9 m -77.39 -8.85 58.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.626 0.726 . . . . 0.0 109.055 170.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 284' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' C' ' 281' ' ' MET . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.151 0 CA-C-N 113.941 -1.482 . . . . 0.0 107.211 170.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.967 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.522 ' HE1' ' HG ' ' C' ' 274' ' ' LEU . 72.8 mmm -71.47 88.84 0.92 Allowed 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 171.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -53.61 -38.6 64.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.532 -170.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -45.41 -62.1 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.596 0.56 . . . . 0.0 111.717 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' C' ' 278' ' ' LEU . 0.5 OUTLIER -71.51 -34.78 54.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.069 -177.326 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.697 ' HE2' ' SD ' ' D' ' 281' ' ' MET . 20.5 mmtp -76.59 -32.76 58.32 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.288 -174.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -66.94 -43.72 82.46 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -60.49 -50.67 72.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.33 173.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.8 ttp -54.72 -39.8 68.58 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.743 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.512 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 35.0 tt0 -58.82 -57.15 14.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.431 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 62.8 mtt -63.92 -33.39 75.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.789 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.915 HD21 HD21 ' B' ' 11' ' ' LEU . 32.6 tp -59.04 -55.04 40.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.068 177.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -63.67 -35.46 80.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.055 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 9' ' ' GLN . 92.5 mt -63.67 -42.69 98.02 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.893 0.378 . . . . 0.0 110.268 176.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.717 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 22.2 t70 -66.81 -46.16 76.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.471 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -41.64 91.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.674 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -67.27 -44.04 80.35 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.399 -175.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.717 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 16.2 p80 -69.42 -31.38 69.69 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.241 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.0 tp -70.91 -42.92 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.059 0.457 . . . . 0.0 110.16 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.66 -33.74 76.6 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.351 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -72.78 -40.88 65.59 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -60.75 -51.08 70.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.852 176.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.773 ' HB ' HG22 ' B' ' 22' ' ' VAL . 15.0 p -64.69 -40.82 90.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.576 -175.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.82 81.74 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.321 0.581 . . . . 0.0 110.316 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -66.23 -43.86 85.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.444 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 tp -68.82 -41.39 78.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.731 -176.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.687 ' HA ' HG12 ' A' ' 29' ' ' VAL . 16.9 ptpt -71.91 -24.51 61.65 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.703 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 4.5 ttmp? -69.03 -43.46 74.68 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 171.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 tp -59.6 -48.88 79.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.273 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 26' ' ' LYS . 10.1 p -71.84 -19.76 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 110.58 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.98 -19.88 74.26 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.863 174.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 C--N 1.33 -0.267 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 178.811 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 270' ' ' ILE . . . . . 0.547 ' O ' HD13 ' D' ' 270' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.383 0 CA-C-O 120.559 0.219 . . . . 0.0 110.517 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 60.5 m -65.06 -45.07 86.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.989 0.423 . . . . 0.0 110.368 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.4 -36.38 83.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.384 0.611 . . . . 0.0 109.749 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.18 -55.81 21.97 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.073 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 274' ' ' LEU . . . . . 0.554 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 4.6 pp -63.68 -31.5 72.69 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.04 -176.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 275' ' ' ASP . . . . . 0.48 ' N ' HD12 ' D' ' 274' ' ' LEU . 12.4 t70 -61.63 -55.0 35.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.149 174.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -67.28 -40.44 86.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 -177.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -64.46 -47.35 79.35 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -175.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 278' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.1 -25.66 39.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.726 0.298 . . . . 0.0 111.358 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -85.29 -19.6 31.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.263 0.554 . . . . 0.0 110.194 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -38.47 88.73 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 122.093 0.949 . . . . 0.0 110.61 174.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 281' ' ' MET . . . . . 0.697 ' SD ' ' HE2' ' A' ' 5' ' ' LYS . 5.9 ptm -100.76 44.38 1.02 Allowed 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.169 -1.378 . . . . 0.0 112.246 -165.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 282' ' ' THR . . . . . . . . . . . . . 25.2 p -69.83 31.32 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.818 173.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 283' ' ' SER . . . . . 0.488 ' H ' ' C ' ' D' ' 281' ' ' MET . 50.9 m -145.11 17.52 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.751 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 284' ' ' ILE . . . . . 0.528 ' OXT' ' HB3' ' B' ' 7' ' ' LYS . 11.7 tt . . . . . 0 C--O 1.242 0.675 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 0' ' ' GLY . . . . . 0.498 ' HA3' ' HB2' ' C' ' 277' ' ' ALA . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.554 ' SD ' ' HB2' ' D' ' 274' ' ' LEU . 76.0 mtm -88.95 96.68 10.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.149 0.499 . . . . 0.0 109.924 177.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ASP . . . . . 0.653 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 4.4 p-10 -65.92 -18.49 65.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.483 -174.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.12 -63.75 0.91 Allowed 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.381 0.426 . . . . 0.0 111.923 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.534 HG13 ' CD1' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -74.62 -28.36 21.96 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.351 179.246 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.653 ' HB2' ' HA ' ' B' ' 2' ' ' ASP . 0.2 OUTLIER -57.77 -49.3 77.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.893 0.378 . . . . 0.0 110.795 178.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -65.83 -49.17 69.17 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.977 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.528 ' HB3' ' OXT' ' D' ' 284' ' ' ILE . 31.5 mtmm -65.07 -37.39 87.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.205 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.1 ttt -57.13 -41.51 79.22 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 122.495 0.318 . . . . 0.0 110.869 174.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 51.2 tt0 -60.23 -49.46 77.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.0 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 65.2 mtt -64.32 -43.31 95.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.318 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.915 HD21 HD21 ' A' ' 11' ' ' LEU . 21.0 tp -53.93 -58.28 7.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.822 177.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.461 ' HE2' ' HB3' ' C' ' 283' ' ' SER . 0.8 OUTLIER -66.82 -30.43 70.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.167 -175.146 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 78.1 mt -69.96 -36.55 75.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.891 0.377 . . . . 0.0 110.443 175.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.636 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 27.9 t70 -67.34 -43.3 81.89 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 175.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.63 -36.85 84.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.585 177.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -63.24 -47.86 80.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.913 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.636 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 14.6 p80 -76.06 -21.3 56.93 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.026 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' B' ' 21' ' ' GLU . 7.5 tp -75.34 -37.77 60.52 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -55.97 -46.93 78.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.681 172.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -63.91 -39.95 95.36 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.208 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.556 ' HG3' HG21 ' A' ' 22' ' ' VAL . 6.2 tp10 -53.03 -52.75 57.46 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.469 174.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.773 HG22 ' HB ' ' A' ' 22' ' ' VAL . 47.2 t -65.52 -45.0 93.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.672 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.88 74.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.617 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -61.67 -42.48 98.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.042 0.449 . . . . 0.0 111.095 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.45 HD21 ' N ' ' A' ' 26' ' ' LYS . 64.6 tp -64.5 -52.86 55.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.216 -177.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.453 ' HD2' HG12 ' B' ' 22' ' ' VAL . 11.4 ptmm? -69.16 -24.72 64.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.071 0.462 . . . . 0.0 109.995 -177.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' B' ' 27' ' ' LYS . 35.7 ttmt -65.67 -46.05 80.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.849 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 46.4 tp -64.48 -44.96 89.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.404 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 63.0 t -68.54 -41.66 83.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.402 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.22 -25.2 75.08 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.899 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -70.87 -19.54 62.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.358 . . . . 0.0 111.187 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.481 -0.771 . . . . 0.0 111.149 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 270' ' ' ILE . . . . . 0.607 HD11 HD11 ' D' ' 274' ' ' LEU . 12.7 tt . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 25.7 p -71.75 -39.03 70.3 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.753 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.73 -26.73 60.0 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 273' ' ' GLU . . . . . 0.451 ' HB3' ' O ' ' C' ' 270' ' ' ILE . 9.0 tp10 -57.7 -50.38 73.41 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 172.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 274' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 73.7 mt -59.91 -46.22 90.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.748 176.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.11 -55.62 32.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.029 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -65.41 -28.61 69.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 277' ' ' ALA . . . . . 0.489 ' HB2' ' HA2' ' B' ' 0' ' ' GLY . . . -65.15 -44.47 88.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.529 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 278' ' ' LEU . . . . . 0.431 ' HG ' ' HB3' ' A' ' 3' ' ' ALA . 4.3 mm? -86.01 -26.73 25.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.426 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -75.87 -20.75 57.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.615 0.245 . . . . 0.0 110.726 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -47.78 -56.42 7.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.585 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 281' ' ' MET . . . . . 0.414 ' HG2' ' SD ' ' B' ' 8' ' ' MET . 0.0 OUTLIER -103.87 -53.23 2.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.688 -175.286 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 4.6 t 46.05 23.63 0.2 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.023 0.929 . . . . 0.0 111.688 -175.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 14.7 m -121.6 63.76 0.9 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 284' ' ' ILE . . . . . 0.561 HG23 ' HE2' ' A' ' 7' ' ' LYS . 4.1 tt . . . . . 0 C--O 1.248 0.983 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.15 -175.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 0' ' ' GLY . . . . . 0.403 ' O ' ' HD3' ' A' ' 5' ' ' LYS . . . . . . . . 0 N--CA 1.485 1.964 0 CA-C-O 119.984 -0.342 . . . . 0.0 112.611 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.485 ' HB3' HG22 ' A' ' 4' ' ' ILE . 3.3 mpp? 54.38 88.4 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.869 0.868 . . . . 0.0 112.53 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -68.59 -23.82 64.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.117 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.431 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -56.02 -63.44 1.18 Allowed 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.334 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.591 HD12 ' HB ' ' B' ' 4' ' ' ILE . 0.7 OUTLIER -69.11 -41.12 81.35 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.525 -177.729 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.595 ' HE2' ' SD ' ' D' ' 281' ' ' MET . 0.7 OUTLIER -66.72 -40.37 88.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -174.701 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -61.96 -51.63 67.31 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.25 0.547 . . . . 0.0 110.162 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.561 ' HE2' HG23 ' C' ' 284' ' ' ILE . 37.0 mtmm -75.01 -22.6 58.4 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.248 -177.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.469 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 35.6 ttp -60.87 -48.63 80.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 0.0 110.491 173.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.404 ' O ' HD23 ' A' ' 13' ' ' LEU . 30.0 tt0 -61.61 -43.46 98.81 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.6 ttp -57.8 -49.62 76.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.218 174.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.25 -55.66 30.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.685 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 8' ' ' MET . 14.1 mmmm -63.45 -36.03 82.4 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.131 -0.227 . . . . 0.0 110.792 -175.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 9' ' ' GLN . 3.2 mm? -62.42 -38.02 88.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.055 0.455 . . . . 0.0 110.299 175.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.758 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 35.7 t70 -65.87 -41.4 91.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.919 175.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -63.56 -46.18 87.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.426 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -58.66 -47.93 82.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.854 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.758 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 3.7 p80 -70.2 -19.83 63.14 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.295 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.8 tp -78.09 -44.65 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 175.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.14 -49.33 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.369 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -66.54 -37.94 86.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.107 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.647 ' HB2' ' O ' ' A' ' 17' ' ' HIS . 22.6 tt0 -63.96 -47.64 79.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.779 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.56 ' HB ' HG22 ' B' ' 22' ' ' VAL . 12.9 p -66.59 -33.28 62.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.74 0.305 . . . . 0.0 110.563 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.72 -46.65 74.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.118 0.485 . . . . 0.0 110.482 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -70.47 -29.94 66.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.93 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 tp -66.57 -45.84 77.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.691 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HB3' HD21 ' B' ' 25' ' ' LEU . 17.1 ptpt -72.9 -21.49 60.9 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.781 0.324 . . . . 0.0 110.506 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 62.9 tttp -74.1 -37.81 64.03 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 172.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.6 -47.34 81.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.323 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.762 ' HB ' HG22 ' B' ' 29' ' ' VAL . 14.9 p -73.5 -35.94 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.711 0.291 . . . . 0.0 110.646 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.88 -19.42 79.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.344 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.556 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 5.1 tp10 . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 110.348 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 270' ' ' ILE . . . . . 0.714 ' O ' ' HG ' ' D' ' 274' ' ' LEU . 12.4 tt . . . . . 0 C--O 1.225 -0.224 0 N-CA-C 111.277 0.103 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 27.2 t -62.68 -48.04 81.02 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -56.78 -44.37 81.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.709 173.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.58 -53.33 57.78 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.263 -176.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 274' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' D' ' 270' ' ' ILE . 16.8 mt -55.97 -52.19 65.06 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.992 0.425 . . . . 0.0 110.758 -177.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 275' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' D' ' 279' ' ' LYS . 14.5 t70 -62.66 -51.54 66.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.685 -176.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -71.87 -34.51 69.26 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.323 -175.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 277' ' ' ALA . . . . . 0.552 ' HA ' ' OD2' ' D' ' 280' ' ' ASP . . . -60.75 -48.02 83.68 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.013 0.435 . . . . 0.0 111.157 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 278' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' D' ' 278' ' ' LEU . 4.1 mm? -75.7 -19.56 59.02 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.17 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 279' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' D' ' 275' ' ' ASP . 1.9 tppp? -77.99 -32.7 51.36 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 176.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 280' ' ' ASP . . . . . 0.552 ' OD2' ' HA ' ' D' ' 277' ' ' ALA . 71.6 m-20 -51.37 -57.89 7.71 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.816 0.817 . . . . 0.0 110.865 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 281' ' ' MET . . . . . 0.669 ' HG3' ' H ' ' D' ' 282' ' ' THR . 9.6 ptm -70.05 -75.47 0.12 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.944 -1.48 . . . . 0.0 112.784 -171.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 282' ' ' THR . . . . . 0.669 ' H ' ' HG3' ' D' ' 281' ' ' MET . 16.5 p 47.1 23.1 0.26 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.201 0.6 . . . . 0.0 112.142 -171.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 38.1 t -131.21 71.81 1.48 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.586 0.708 . . . . 0.0 109.577 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 284' ' ' ILE . . . . . 0.581 HG23 ' HB3' ' B' ' 7' ' ' LYS . 6.6 tt . . . . . 0 C--O 1.246 0.909 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.398 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 0' ' ' GLY . . . . . 0.489 ' HA2' ' HB2' ' C' ' 277' ' ' ALA . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.569 ' H ' ' HD3' ' B' ' 5' ' ' LYS . 94.3 mmm -119.56 108.76 14.9 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -41.71 -54.44 3.3 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.131 0.972 . . . . 0.0 113.293 -172.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.55 -61.88 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -173.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.591 ' HB ' HD12 ' A' ' 4' ' ' ILE . 0.8 OUTLIER -68.69 -37.72 77.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.511 -176.267 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.569 ' HD3' ' H ' ' B' ' 1' ' ' MET . 0.2 OUTLIER -56.91 -56.91 15.63 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.072 0.463 . . . . 0.0 111.227 -178.164 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -65.53 -45.89 81.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.473 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.581 ' HB3' HG23 ' D' ' 284' ' ' ILE . 21.0 mtmm -69.09 -34.31 74.91 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.414 ' SD ' ' HG2' ' C' ' 281' ' ' MET . 16.7 ttt -59.86 -44.14 94.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.5 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -64.34 -42.2 96.37 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.293 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 66.8 mtt -61.72 -46.71 88.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.952 0.406 . . . . 0.0 109.996 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 tp -51.43 -59.08 4.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.747 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -62.13 -41.05 97.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.979 -173.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.69 -39.26 77.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.992 0.425 . . . . 0.0 110.868 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.774 ' HA ' ' CE1' ' B' ' 17' ' ' HIS . 30.0 t0 -67.41 -44.3 79.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.943 0.402 . . . . 0.0 110.228 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ASN . . . . . 0.429 HD22 ' N ' ' B' ' 15' ' ' ASN . 0.9 OUTLIER -64.72 -23.94 67.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.264 176.33 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.07 -41.71 85.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.757 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.774 ' CE1' ' HA ' ' B' ' 14' ' ' ASP . 4.6 m80 -62.85 -48.67 78.05 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 174.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.496 ' O ' HG23 ' B' ' 22' ' ' VAL . 9.2 mp -49.5 -59.4 3.78 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.874 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -69.1 -26.02 64.71 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.108 -177.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.414 ' HB3' ' O ' ' B' ' 17' ' ' HIS . 9.3 t30 -55.51 -43.57 75.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 175.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.73 -43.8 71.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.26 176.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.56 HG22 ' HB ' ' A' ' 22' ' ' VAL . 46.2 t -56.28 -46.3 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.029 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.43 89.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.367 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.6 mtp85 -71.44 -29.5 64.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.869 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.554 ' O ' HG23 ' B' ' 29' ' ' VAL . 46.9 tp -73.61 -48.35 33.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.673 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -61.24 -32.99 72.79 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.973 0.416 . . . . 0.0 109.952 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -69.16 -42.4 75.97 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.166 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 tp -63.6 -41.61 98.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.955 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.762 HG22 ' HB ' ' A' ' 29' ' ' VAL . 50.5 t -65.1 -46.69 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.699 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.41 -19.86 79.75 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.527 -178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -62.11 -44.09 97.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.157 0.503 . . . . 0.0 110.541 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.03 -175.618 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 270' ' ' ILE . . . . . 0.494 HD13 ' O ' ' C' ' 270' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.414 0 CA-C-O 120.728 0.299 . . . . 0.0 110.329 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 271' ' ' SER . . . . . 0.558 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 58.7 m -68.96 -47.91 64.47 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.921 0.391 . . . . 0.0 110.464 177.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -72.99 -19.31 61.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.981 0.42 . . . . 0.0 110.166 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -64.67 -58.27 6.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.206 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 274' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' C' ' 271' ' ' SER . 4.6 pp -61.04 -30.3 70.23 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.516 -178.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -57.7 -62.22 1.95 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.371 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -67.84 -32.43 72.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.244 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 277' ' ' ALA . . . . . 0.512 ' HB1' ' HD3' ' B' ' 5' ' ' LYS . . . -64.44 -46.79 81.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.9 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 278' ' ' LEU . . . . . 0.641 HD13 ' HB3' ' A' ' 3' ' ' ALA . 23.2 mt -86.45 -24.54 25.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.401 -176.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -79.95 -19.85 47.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.931 0.396 . . . . 0.0 110.428 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -55.99 -40.04 72.72 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.795 0.807 . . . . 0.0 109.553 169.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 281' ' ' MET . . . . . 0.638 ' HE1' HG13 ' B' ' 4' ' ' ILE . 5.5 ptp -98.13 64.09 1.64 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.975 -178.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 14.0 t -82.38 6.06 18.33 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.501 172.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 11.7 m -125.91 12.37 7.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.967 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 284' ' ' ILE . . . . . 0.591 ' HB ' ' HB2' ' C' ' 281' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.946 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 0' ' ' GLY . . . . . 0.469 ' HA3' ' HG2' ' D' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.84 0 N-CA-C 112.205 -0.358 . . . . 0.0 112.205 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.507 ' SD ' HD21 ' D' ' 278' ' ' LEU . 23.1 mtt -75.64 83.55 2.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.247 0.546 . . . . 0.0 110.596 178.055 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -70.17 -33.51 71.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.506 -175.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.641 ' HB3' HD13 ' C' ' 278' ' ' LEU . . . -57.69 -62.51 1.75 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.794 -175.489 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.65 HD12 ' HB ' ' B' ' 4' ' ' ILE . 1.3 tt -65.61 -39.43 84.97 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.0 -176.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -59.7 -51.86 67.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.733 0.302 . . . . 0.0 111.04 -176.63 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -67.95 -44.38 76.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.704 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HB3' HG23 ' C' ' 284' ' ' ILE . 22.4 mtmm -67.7 -32.33 72.89 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.054 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.2 ttp -54.7 -48.47 72.41 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.015 0.436 . . . . 0.0 110.08 172.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -58.58 -53.12 61.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.438 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 90.6 mtp -60.34 -47.33 86.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.163 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.656 HD21 HD21 ' B' ' 11' ' ' LEU . 57.5 tp -60.38 -49.96 75.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.373 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -63.81 -39.01 93.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.001 -175.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 13' ' ' LEU . 4.4 mm? -73.34 -36.87 66.24 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.011 0.434 . . . . 0.0 110.868 177.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.456 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 37.3 t70 -65.33 -49.5 69.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.216 0.531 . . . . 0.0 110.005 178.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.487 ' HA ' ' HB2' ' A' ' 18' ' ' LEU . 5.5 m-20 -67.08 -24.86 66.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.448 177.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.59 -45.74 91.5 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.491 176.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.456 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 25.4 p80 -75.08 -19.83 59.78 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.163 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HB2' ' HA ' ' A' ' 15' ' ' ASN . 5.2 mp -69.16 -55.32 10.99 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.762 0.315 . . . . 0.0 110.557 172.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.552 ' HA ' HG12 ' A' ' 22' ' ' VAL . 16.8 pt-20 -70.56 -26.47 63.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.018 -177.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.631 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 28.1 t-20 -72.73 -41.28 65.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.42 -44.11 97.7 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.532 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 19' ' ' GLU . 12.5 p -72.51 -26.62 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.526 178.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.498 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . . . -66.84 -41.41 87.46 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.161 0.505 . . . . 0.0 110.312 175.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.631 ' HG2' ' O ' ' A' ' 20' ' ' ASN . 25.0 mmm180 -64.08 -39.81 94.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.612 176.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.712 HD11 HG21 ' B' ' 29' ' ' VAL . 2.9 tm? -72.63 -43.31 63.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.009 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.498 ' HG2' ' HA ' ' A' ' 23' ' ' ALA . 14.1 ptmm? -65.97 -30.13 70.64 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.254 -0.178 . . . . 0.0 111.048 -177.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -76.08 -39.54 55.15 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.932 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.68 -52.05 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.453 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG11 HD11 ' B' ' 25' ' ' LEU . 11.7 p -74.95 -27.77 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 111.072 -178.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.79 -34.86 55.67 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.865 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 120.74 0.305 . . . . 0.0 110.259 179.079 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 270' ' ' ILE . . . . . 0.419 HD13 HG23 ' C' ' 270' ' ' ILE . 15.1 tt . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 120.619 0.247 . . . . 0.0 111.358 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 9.8 t -68.93 -43.47 75.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.69 -49.87 71.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.264 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 273' ' ' GLU . . . . . 0.469 ' HG2' ' HA3' ' A' ' 0' ' ' GLY . 29.2 tp10 -57.17 -53.23 60.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.605 -177.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 274' ' ' LEU . . . . . 0.419 ' O ' HD23 ' D' ' 278' ' ' LEU . 8.7 mp -61.55 -45.93 92.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.539 -175.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -65.07 -44.35 89.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.022 0.439 . . . . 0.0 110.471 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -62.87 -50.3 71.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.69 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -61.61 -30.15 70.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.38 -177.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 278' ' ' LEU . . . . . 0.507 HD21 ' SD ' ' A' ' 1' ' ' MET . 4.3 mm? -85.14 -20.43 30.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.769 0.318 . . . . 0.0 111.212 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 279' ' ' LYS . . . . . 0.499 ' O ' HG23 ' D' ' 282' ' ' THR . 8.5 tppt? -82.21 -38.32 24.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.119 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -49.25 -48.77 45.5 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.199 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 281' ' ' MET . . . . . 0.435 ' HB3' ' HE2' ' D' ' 281' ' ' MET . 26.4 mtp -55.15 -67.06 0.3 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.596 -168.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 282' ' ' THR . . . . . 0.499 HG23 ' O ' ' D' ' 279' ' ' LYS . 20.7 p 46.81 26.13 0.53 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.17 0.588 . . . . 0.0 112.544 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 40.2 m -155.69 68.45 0.65 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.138 0.494 . . . . 0.0 109.758 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 284' ' ' ILE . . . . . . . . . . . . . 9.0 tt . . . . . 0 C--O 1.253 1.287 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.319 178.249 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.892 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.429 ' HG3' HG22 ' B' ' 4' ' ' ILE . 35.7 tpp -62.83 105.18 0.63 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.014 0.435 . . . . 0.0 110.166 174.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -47.37 -54.44 11.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.71 -173.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.42 -58.62 5.75 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -172.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.65 ' HB ' HD12 ' A' ' 4' ' ' ILE . 1.8 tp -78.07 -31.34 16.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.546 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.473 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.884 ' HA ' ' HE2' ' B' ' 5' ' ' LYS . 0.1 OUTLIER -65.06 -47.97 75.45 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.921 -0.487 . . . . 0.0 111.139 -178.325 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -72.29 -40.4 67.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.361 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -66.7 -30.85 71.2 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.768 175.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 41.0 ttp -61.33 -43.53 98.72 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.555 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 57.0 tt0 -59.85 -46.52 89.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.217 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 91.8 mtp -68.62 -36.95 79.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.067 0.46 . . . . 0.0 110.73 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 11' ' ' LEU . 44.8 tp -60.68 -51.27 70.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.63 176.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -61.1 -34.43 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.714 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 93.6 mt -60.38 -47.14 87.37 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.007 0.432 . . . . 0.0 110.348 173.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.733 ' HA ' ' HD2' ' B' ' 17' ' ' HIS . 37.9 t70 -63.22 -50.27 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.474 178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -56.84 -44.78 82.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.725 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.46 -44.06 83.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' HIS . . . . . 0.733 ' HD2' ' HA ' ' B' ' 14' ' ' ASP . 3.1 p80 -70.43 -29.06 65.55 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.863 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.531 ' O ' HG23 ' B' ' 22' ' ' VAL . 62.0 mt -67.01 -50.97 60.5 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 173.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -56.64 -36.97 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.946 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.576 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 24.0 t-20 -70.58 -48.13 56.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.97 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.11 -49.25 66.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.645 176.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 18' ' ' LEU . 57.6 t -60.4 -46.11 95.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.434 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.19 99.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.395 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' B' ' 20' ' ' ASN . 36.5 mmt180 -63.39 -44.68 93.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.031 0.443 . . . . 0.0 110.445 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.429 HD11 HG11 ' A' ' 29' ' ' VAL . 38.7 tp -65.54 -45.44 83.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.421 -179.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -68.86 -24.69 64.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.087 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.746 ' HE2' ' HA ' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -67.89 -51.33 49.3 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 174.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.57 -47.88 80.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.517 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.712 HG21 HD11 ' A' ' 25' ' ' LEU . 95.8 t -65.91 -38.13 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.862 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.58 -38.12 94.48 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.797 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -19.65 63.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.018 -0.992 . . . . 0.0 111.111 -176.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 248' ' ' GLY . . . . . 0.438 ' HA3' HG21 ' D' ' 253' ' ' ILE . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 249' ' ' CYS . . . . . 0.65 ' HA ' ' HB3' ' D' ' 249' ' ' CYS . 14.4 t -166.26 -170.43 1.68 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -176.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . -71.09 81.78 0.45 Allowed Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -151.53 -73.85 0.15 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 19.7 m -133.58 36.71 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.072 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 253' ' ' ILE . . . . . 0.571 ' HB ' ' O ' ' C' ' 249' ' ' CYS . 11.3 tp -74.77 -25.55 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.348 -176.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.79 -47.71 83.81 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.245 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.4 -41.04 75.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.616 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 256' ' ' LEU . . . . . 0.435 ' HG ' ' CD2' ' D' ' 260' ' ' LEU . 3.9 mp -65.1 -52.33 56.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.427 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 257' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' C' ' 253' ' ' ILE . 44.0 mt-10 -61.64 -44.43 97.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.943 0.401 . . . . 0.0 110.58 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -54.54 -59.93 4.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.576 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 259' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' C' ' 263' ' ' GLN . 22.8 tt0 -58.59 -42.66 88.59 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.208 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 260' ' ' LEU . . . . . 0.625 HD13 ' HA ' ' D' ' 260' ' ' LEU . 25.3 tp -57.07 -47.76 80.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.822 0.344 . . . . 0.0 111.227 -178.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 261' ' ' TYR . . . . . 0.516 ' HA ' ' HE2' ' C' ' 264' ' ' LYS . 41.0 m-85 -71.33 -37.18 71.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.235 178.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -63.92 -49.33 73.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.739 0.304 . . . . 0.0 111.236 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 263' ' ' GLN . . . . . 0.559 ' OE1' ' HD2' ' C' ' 266' ' ' LYS . 14.2 mm-40 -68.91 -34.62 75.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.781 -175.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 264' ' ' LYS . . . . . 0.516 ' HE2' ' HA ' ' C' ' 261' ' ' TYR . 0.1 OUTLIER -68.25 -35.44 77.91 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.149 178.668 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.81 -45.09 75.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.248 175.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 266' ' ' LYS . . . . . 0.559 ' HD2' ' OE1' ' C' ' 263' ' ' GLN . 98.0 mttt -58.07 -42.28 85.19 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 176.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 267' ' ' TYR . . . . . 0.417 ' O ' HG22 ' C' ' 270' ' ' ILE . 92.7 t80 -58.08 -48.9 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -70.71 -38.13 73.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.025 0.44 . . . . 0.0 110.519 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.15 73.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.747 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 270' ' ' ILE . . . . . 0.526 HD13 ' O ' ' C' ' 270' ' ' ILE . 0.1 OUTLIER -75.27 -33.97 29.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 22.6 t -64.12 -46.76 82.72 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.36 -37.42 80.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.843 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 273' ' ' GLU . . . . . 0.576 ' CD ' ' HA2' ' B' ' 0' ' ' GLY . 17.0 tp10 -62.42 -63.33 1.26 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.065 -178.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 274' ' ' LEU . . . . . 0.471 HD12 ' N ' ' C' ' 275' ' ' ASP . 4.4 pp -55.07 -36.32 65.48 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.139 0.274 . . . . 0.0 111.149 -175.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 275' ' ' ASP . . . . . 0.471 ' N ' HD12 ' C' ' 274' ' ' LEU . 24.8 t70 -60.07 -59.43 5.43 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.808 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -74.75 -30.94 61.65 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.002 -176.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -57.94 -43.29 86.25 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.965 0.412 . . . . 0.0 111.193 -177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 278' ' ' LEU . . . . . 0.568 HD21 ' SD ' ' A' ' 1' ' ' MET . 4.1 mm? -83.62 -31.53 26.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.77 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -68.65 -38.03 80.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.178 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.83 -38.54 72.78 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.243 0.544 . . . . 0.0 110.674 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 281' ' ' MET . . . . . 0.656 ' O ' HG22 ' C' ' 284' ' ' ILE . 13.8 mtm -94.35 49.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.153 -175.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 9.7 t -62.1 -3.4 1.25 Allowed 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.15 0.5 . . . . 0.0 110.885 172.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 20.0 m -116.75 24.1 11.5 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.738 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 284' ' ' ILE . . . . . 0.656 HG22 ' O ' ' C' ' 281' ' ' MET . 6.1 tt . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.258 -0.877 . . . . 0.0 109.709 172.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.568 ' SD ' HD21 ' C' ' 278' ' ' LEU . 50.8 ttm -136.91 99.47 4.03 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -57.06 -47.46 80.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.74 -170.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.518 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -49.67 -64.16 0.89 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.262 -174.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.643 HG13 ' HE3' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -65.07 -42.46 94.56 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.522 -177.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.643 ' HE3' HG13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -60.81 -51.74 68.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.219 0.533 . . . . 0.0 111.616 -177.095 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -71.79 -40.13 69.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.211 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.601 ' HD3' HG23 ' C' ' 284' ' ' ILE . 32.9 tttm -76.02 -28.09 57.6 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.613 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.644 ' SD ' ' HG2' ' D' ' 281' ' ' MET . 7.0 ptt? -68.24 -28.54 67.31 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.498 ' O ' HD23 ' A' ' 13' ' ' LEU . 61.3 tt0 -62.85 -46.45 87.86 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.3 ttt -58.33 -47.88 82.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.298 0.57 . . . . 0.0 109.942 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.575 ' HB3' ' HA ' ' A' ' 8' ' ' MET . 25.7 tp -53.09 -54.77 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.639 177.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' A' ' 12' ' ' LYS . 45.1 mmtt -57.64 -38.92 75.84 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -177.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 9' ' ' GLN . 4.2 mm? -64.04 -35.44 80.73 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.773 178.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.592 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 28.2 t70 -69.03 -45.64 69.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.073 0.463 . . . . 0.0 109.917 174.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -59.82 -41.0 90.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.24 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -60.5 -48.42 81.85 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.675 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.592 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 12.0 p80 -65.47 -27.87 68.81 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.005 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.77 -57.74 4.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.904 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.592 ' HA ' HG12 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -68.46 -30.8 69.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.201 -175.14 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -69.23 -42.39 75.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.917 0.389 . . . . 0.0 109.982 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 42.8 tt0 -64.19 -52.3 59.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.374 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.7 HG22 ' HE3' ' A' ' 26' ' ' LYS . 9.1 p -63.31 -34.89 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.394 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.8 -53.29 49.28 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.774 0.321 . . . . 0.0 110.795 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.1 mtm105 -65.42 -36.14 83.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.202 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.649 HD11 HG21 ' B' ' 29' ' ' VAL . 15.1 tp -63.46 -53.3 54.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.866 -177.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.7 ' HE3' HG22 ' A' ' 22' ' ' VAL . 18.0 ptpt -69.93 -26.18 64.02 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.873 -176.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.16 -41.04 77.78 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 174.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.602 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 45.2 tp -71.71 -40.85 69.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.217 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.648 ' CG2' HG22 ' B' ' 29' ' ' VAL . 21.3 t -70.87 -27.58 30.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 122.002 -0.436 . . . . 0.0 110.001 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.36 -29.84 59.48 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.648 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 12.3 pt-20 -77.79 -19.46 55.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.441 . . . . 0.0 110.226 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 99.6 mtt180 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.063 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 248' ' ' GLY . . . . . 0.427 ' C ' HG12 ' D' ' 253' ' ' ILE . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 112.642 -0.183 . . . . 0.0 112.642 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 249' ' ' CYS . . . . . 0.65 ' HB3' ' HA ' ' C' ' 249' ' ' CYS . 4.6 p -74.22 143.98 44.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.688 0.28 . . . . 0.0 111.16 -176.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 131.97 -47.73 1.0 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 251' ' ' LYS . . . . . 0.493 ' NZ ' ' HB3' ' D' ' 251' ' ' LYS . 9.2 mtpm? -146.14 -51.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.69 0.281 . . . . 0.0 111.07 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 19.0 m -59.21 -44.0 92.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.918 -176.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 253' ' ' ILE . . . . . 0.461 HD12 HD11 ' C' ' 253' ' ' ILE . 20.7 mm -62.71 -32.05 54.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.746 -177.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -60.76 -44.56 96.59 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.759 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.38 -33.79 76.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.534 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 256' ' ' LEU . . . . . 0.442 ' HG ' HD23 ' C' ' 260' ' ' LEU . 7.8 mp -67.61 -46.6 72.09 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.961 177.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 257' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.13 -39.0 89.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.639 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -53.28 -53.38 51.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.969 0.89 . . . . 0.0 110.085 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 259' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' D' ' 263' ' ' GLN . 26.1 tt0 -70.11 -42.06 73.17 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.011 -1.449 . . . . 0.0 111.17 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 260' ' ' LEU . . . . . 0.625 ' HA ' HD13 ' C' ' 260' ' ' LEU . 52.3 tp -53.92 -50.62 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.146 0.498 . . . . 0.0 110.372 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 261' ' ' TYR . . . . . 0.518 ' O ' ' HG ' ' D' ' 265' ' ' LEU . 58.0 t80 -58.5 -47.38 84.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.543 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.97 -49.85 68.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.812 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 263' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' D' ' 259' ' ' GLU . 82.3 mm-40 -61.01 -41.17 96.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.248 -177.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -68.5 -33.04 73.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.216 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 265' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' D' ' 261' ' ' TYR . 86.5 mt -67.46 -43.3 81.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.133 175.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 266' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -65.07 -39.26 92.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.191 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -61.54 -43.13 99.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.138 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -62.71 -46.58 87.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 176.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -60.6 -51.99 67.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.616 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 270' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' C' ' 270' ' ' ILE . 0.0 OUTLIER -64.02 -40.96 90.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.69 -176.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 65.5 p -70.3 -40.38 74.28 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.523 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -64.46 -41.13 96.69 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.05 0.453 . . . . 0.0 110.248 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.31 -53.6 54.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.773 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 274' ' ' LEU . . . . . 0.511 ' HG ' ' HE2' ' A' ' 1' ' ' MET . 10.9 mp -70.4 -33.72 71.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.462 -177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 275' ' ' ASP . . . . . 0.554 ' O ' ' HB2' ' D' ' 279' ' ' LYS . 27.4 t70 -58.98 -49.65 77.06 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 174.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -64.99 -32.63 74.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.51 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.68 92.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.388 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 278' ' ' LEU . . . . . 0.655 HD11 ' HB ' ' B' ' 4' ' ' ILE . 3.8 mm? -85.74 -28.43 24.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.726 0.298 . . . . 0.0 110.86 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 279' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' D' ' 275' ' ' ASP . 2.1 tptm -63.0 -31.82 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.632 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -47.1 -62.95 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.783 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 281' ' ' MET . . . . . 0.644 ' HG2' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -92.02 -49.74 6.06 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.319 -177.108 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 282' ' ' THR . . . . . 0.531 HG22 ' O ' ' D' ' 281' ' ' MET . 0.7 OUTLIER 58.64 -8.46 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.031 1.333 . . . . 0.0 113.592 -178.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 283' ' ' SER . . . . . 0.463 ' H ' ' C ' ' D' ' 281' ' ' MET . 46.2 m -135.17 76.0 1.6 Allowed 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.991 -0.443 . . . . 0.0 110.653 176.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 284' ' ' ILE . . . . . 0.876 HG12 ' HD2' ' B' ' 7' ' ' LYS . 31.5 pt . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.734 171.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 0' ' ' GLY . . . . . 0.576 ' HA2' ' CD ' ' C' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.456 ' O ' ' HD2' ' B' ' 5' ' ' LYS . 46.9 tpp -74.79 88.1 2.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -48.33 -41.28 27.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.347 -171.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.519 ' HB3' ' HG ' ' D' ' 278' ' ' LEU . . . -52.76 -71.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -176.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.655 ' HB ' HD11 ' D' ' 278' ' ' LEU . 0.6 OUTLIER -72.27 -30.91 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -175.298 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.456 ' HD2' ' O ' ' B' ' 1' ' ' MET . 0.2 OUTLIER -54.99 -58.34 8.02 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.469 0.652 . . . . 0.0 110.433 177.692 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -71.38 -32.6 68.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.624 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.876 ' HD2' HG12 ' D' ' 284' ' ' ILE . 19.4 ttmm -70.95 -34.55 71.57 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.509 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.427 ' O ' ' HB3' ' B' ' 11' ' ' LEU . 32.3 ttp -66.51 -38.71 87.81 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.954 0.407 . . . . 0.0 110.019 176.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.542 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 62.0 tt0 -59.83 -51.53 69.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 48.4 ttm -57.83 -42.24 83.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.623 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.427 ' HB3' ' O ' ' B' ' 8' ' ' MET . 8.0 tp -52.49 -63.36 1.17 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.389 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' B' ' 16' ' ' TYR . 24.5 mtmt -72.58 -25.72 61.45 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -173.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 72.2 mt -61.5 -43.28 99.14 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.783 173.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.585 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 35.4 t70 -68.71 -49.18 60.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.604 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -67.21 -29.35 68.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.471 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.692 ' HA ' ' HG2' ' B' ' 19' ' ' GLU . 2.4 m-85 -69.44 -40.06 77.43 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.421 177.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.585 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 7.3 p80 -70.7 -24.99 62.76 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.57 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tt -73.63 -49.14 27.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.988 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.692 ' HG2' ' HA ' ' B' ' 16' ' ' TYR . 7.9 pt-20 -66.56 -33.39 75.57 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-O 120.725 0.298 . . . . 0.0 110.593 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -65.43 -43.88 89.1 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.245 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.25 -53.79 47.42 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.317 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.67 HG12 ' HA ' ' B' ' 19' ' ' GLU . 9.8 p -62.24 -32.35 54.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -175.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.9 -47.11 69.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.972 0.415 . . . . 0.0 110.698 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -72.34 -29.63 63.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.658 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.594 ' O ' HG23 ' B' ' 29' ' ' VAL . 61.8 tp -69.28 -48.03 62.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.015 177.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.533 ' HA ' HG23 ' B' ' 29' ' ' VAL . 17.2 ptpt -66.29 -26.18 67.21 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.93 0.395 . . . . 0.0 110.317 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -64.48 -44.3 91.42 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 2.4 mm? -64.31 -29.73 70.8 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.015 176.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 25' ' ' LEU . 17.4 t -65.63 -33.55 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 175.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.75 -26.09 72.3 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.541 173.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' B' ' 28' ' ' LEU . 0.4 OUTLIER -73.57 -34.87 65.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.627 0.251 . . . . 0.0 111.15 176.736 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' B' ' 28' ' ' LEU . 12.0 ptm180 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.42 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 112.029 -0.428 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 249' ' ' CYS . . . . . . . . . . . . . 12.0 p -98.63 160.46 14.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.727 0.299 . . . . 0.0 110.557 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . 94.8 76.41 1.32 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.907 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 251' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' C' ' 252' ' ' SER . 36.0 ttpt 68.5 79.99 0.2 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.934 0.494 . . . . 0.0 110.549 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 252' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' C' ' 251' ' ' LYS . 23.1 t 171.78 -28.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.184 177.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 253' ' ' ILE . . . . . . . . . . . . . 20.5 mm -70.54 -38.64 74.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.376 -173.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.01 -47.54 84.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.08 0.467 . . . . 0.0 109.829 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.05 -46.86 76.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.641 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 256' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' C' ' 260' ' ' LEU . 3.7 mp -54.98 -52.9 61.65 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.273 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 257' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -58.53 -42.18 87.16 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 120.971 0.415 . . . . 0.0 111.152 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -61.4 -53.91 50.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.221 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 259' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' C' ' 263' ' ' GLN . 31.5 tt0 -64.64 -33.11 75.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.791 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 260' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' C' ' 256' ' ' LEU . 2.9 tt -53.28 -56.87 13.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.953 0.406 . . . . 0.0 110.317 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -69.67 -32.07 70.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.41 70.35 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.272 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 263' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' C' ' 259' ' ' GLU . 14.9 mm100 -64.15 -41.82 97.02 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.94 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -59.47 -39.38 83.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.634 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -67.08 -51.97 47.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.262 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 266' ' ' LYS . . . . . 0.431 ' HB2' ' HE3' ' C' ' 266' ' ' LYS . 20.9 ptmt -71.73 -27.2 62.83 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.348 -176.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -66.78 -40.1 88.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.287 0.565 . . . . 0.0 109.485 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.04 -39.22 86.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.68 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -63.62 -48.15 78.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.747 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 270' ' ' ILE . . . . . . . . . . . . . 10.0 tt -66.8 -34.74 71.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.813 0.34 . . . . 0.0 110.33 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 47.1 t -65.46 -47.36 76.4 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -50.89 -45.67 60.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.99 0.424 . . . . 0.0 110.214 175.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.87 -58.33 7.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.363 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 274' ' ' LEU . . . . . 0.562 HD22 ' HE1' ' A' ' 1' ' ' MET . 92.7 mt -67.73 -45.97 73.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.791 -174.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.53 -54.61 44.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.81 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -59.78 -41.13 90.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.677 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 277' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' C' ' 280' ' ' ASP . . . -62.66 -50.16 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.768 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 278' ' ' LEU . . . . . 0.705 HD12 ' HB ' ' A' ' 4' ' ' ILE . 3.8 mm? -77.21 -18.32 57.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.629 0.252 . . . . 0.0 111.625 -175.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -86.05 -19.0 30.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.002 173.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 280' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' C' ' 277' ' ' ALA . 0.3 OUTLIER -53.06 -63.54 1.11 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -175.656 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 281' ' ' MET . . . . . 0.406 ' SD ' ' HE2' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -70.08 -25.51 63.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.749 -172.634 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 17.9 p 54.99 -69.73 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.144 0.978 . . . . 0.0 112.879 -173.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 24.7 t -74.4 81.76 1.91 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.514 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 284' ' ' ILE . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.556 -0.735 . . . . 0.0 109.596 173.491 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.94 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.623 ' HG3' HG22 ' A' ' 4' ' ' ILE . 30.9 tpp -96.76 29.6 2.95 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.445 0.641 . . . . 0.0 109.709 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.06 -19.85 14.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.098 -0.956 . . . . 0.0 112.751 -171.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.47 -58.57 6.95 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.157 0.503 . . . . 0.0 110.984 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.705 ' HB ' HD12 ' C' ' 278' ' ' LEU . 0.7 OUTLIER -78.44 -38.52 22.77 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.698 178.652 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.893 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 7.5 mmpt? -60.52 -43.26 97.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.849 0.357 . . . . 0.0 111.113 -175.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -69.78 -47.66 62.09 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.904 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -63.96 -29.08 70.28 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.735 178.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.528 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 48.7 ttp -61.41 -45.5 94.05 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.666 176.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -56.44 -47.3 79.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.494 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -67.66 -33.12 74.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.589 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.478 HD21 HD21 ' B' ' 11' ' ' LEU . 28.9 tp -61.75 -45.94 91.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.942 175.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 8' ' ' MET . 29.9 mtpp -63.37 -40.96 98.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.942 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.37 -39.96 84.95 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.163 0.506 . . . . 0.0 110.171 174.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.962 ' HA ' ' HD2' ' A' ' 17' ' ' HIS . 29.6 t70 -67.43 -50.22 60.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.885 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.39 -33.77 75.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.272 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -83.59 -27.89 28.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.324 0.491 . . . . 0.0 112.324 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.962 ' HD2' ' HA ' ' A' ' 14' ' ' ASP . 1.4 p80 -73.44 -28.72 62.12 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 119.376 -0.93 . . . . 0.0 108.85 173.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.4 tp -75.04 -38.25 61.5 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 174.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -59.09 -49.18 78.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.14 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -69.86 -33.87 72.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.364 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -58.24 -58.51 8.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.331 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.45 ' HB ' HG22 ' B' ' 22' ' ' VAL . 11.0 p -64.8 -30.8 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.451 -177.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.43 71.65 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.896 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -65.44 -41.48 93.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.075 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.66 -48.51 79.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.324 -176.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -67.85 -30.2 69.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.829 0.347 . . . . 0.0 110.373 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.585 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 23.1 ttpp -79.68 -21.29 44.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.186 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.0 tp -76.92 -36.98 56.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 110.314 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.448 ' HB ' HG22 ' B' ' 29' ' ' VAL . 8.5 p -83.1 -29.61 8.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.027 175.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.29 -18.88 78.94 Favored Glycine 0 CA--C 1.519 0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.009 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.585 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 4.1 tp10 -66.75 -22.06 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.333 0.587 . . . . 0.0 110.124 177.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 . . . . . 0 C--O 1.244 0.809 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.638 -173.399 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 112.084 -0.406 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 249' ' ' CYS . . . . . 0.439 ' HB3' ' HB ' ' D' ' 253' ' ' ILE . 45.6 t -150.83 -35.9 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.652 0.263 . . . . 0.0 111.184 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . -178.3 -64.84 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.876 -176.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -149.09 -69.56 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.734 0.267 . . . . 0.0 111.643 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 48.0 t -57.75 -52.68 64.45 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.971 0.415 . . . . 0.0 111.565 -175.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 253' ' ' ILE . . . . . 0.638 HD13 HD12 ' D' ' 256' ' ' LEU . 26.3 mm -62.1 -29.74 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.685 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.55 -44.79 93.14 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.305 -0.158 . . . . 0.0 111.137 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -67.98 -39.35 83.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.347 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 256' ' ' LEU . . . . . 0.638 HD12 HD13 ' D' ' 253' ' ' ILE . 53.1 mt -60.4 -52.08 66.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.986 177.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 257' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.28 -38.79 92.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.562 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.51 -52.0 67.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.309 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 259' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.8 -38.16 89.6 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.884 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 260' ' ' LEU . . . . . 0.431 HD13 ' HG ' ' C' ' 256' ' ' LEU . 9.5 tt -55.74 -50.23 70.95 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 261' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -60.01 -44.18 94.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.313 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -62.53 -51.8 65.98 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.423 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 263' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -68.3 -30.58 69.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.12 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -63.74 -45.38 90.17 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.24 -42.85 99.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.62 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 266' ' ' LYS . . . . . 0.871 ' HE2' ' HA ' ' D' ' 266' ' ' LYS . 9.5 mmpt? -60.59 -45.05 95.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.995 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -56.69 -48.86 76.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.969 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -70.51 -37.45 74.17 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.486 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -64.25 -47.76 78.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.19 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 270' ' ' ILE . . . . . 0.499 HD13 HD23 ' D' ' 274' ' ' LEU . 0.0 OUTLIER -66.15 -37.74 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -178.012 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 271' ' ' SER . . . . . 0.528 ' O ' ' HG ' ' D' ' 274' ' ' LEU . 50.6 m -65.21 -49.69 68.75 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.148 0.499 . . . . 0.0 110.482 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.35 -42.57 99.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.003 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -65.7 -44.95 84.61 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.22 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 274' ' ' LEU . . . . . 0.786 ' HB2' ' HE3' ' B' ' 1' ' ' MET . 3.8 pp -61.86 -42.48 99.11 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.809 -174.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -68.1 -45.47 73.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.232 0.539 . . . . 0.0 110.206 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -66.68 -50.88 61.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.098 -176.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 277' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' D' ' 281' ' ' MET . . . -64.01 -35.17 79.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.607 -174.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 278' ' ' LEU . . . . . 0.575 HD13 ' SD ' ' D' ' 281' ' ' MET . 4.1 mm? -74.99 -29.08 60.79 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.883 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -75.16 -35.35 61.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.236 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -56.51 -51.78 67.23 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.864 0.84 . . . . 0.0 110.171 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 281' ' ' MET . . . . . 0.612 ' O ' HG22 ' D' ' 284' ' ' ILE . 14.5 ptm -82.89 41.95 0.77 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.945 -172.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 282' ' ' THR . . . . . 0.455 ' HA ' ' NZ ' ' B' ' 7' ' ' LYS . 14.2 t -60.54 -12.12 8.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.847 0.356 . . . . 0.0 110.704 175.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 24.6 m -89.94 13.08 15.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.076 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 284' ' ' ILE . . . . . 0.612 HG22 ' O ' ' D' ' 281' ' ' MET . 7.2 tt . . . . . 0 C--O 1.246 0.908 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 173.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.873 0 N-CA-C 111.852 -0.499 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.786 ' HE3' ' HB2' ' D' ' 274' ' ' LEU . 50.5 tpp -120.16 90.17 3.27 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -77.1 -23.78 51.82 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.606 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.66 -65.54 0.54 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.912 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.69 ' HB ' HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -62.04 -46.87 95.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.616 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.595 178.152 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.536 ' HD3' HG13 ' B' ' 4' ' ' ILE . 20.7 mmtp -60.29 -45.78 92.16 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -172.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.88 -43.36 68.54 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.184 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.455 ' NZ ' ' HA ' ' D' ' 282' ' ' THR . 38.1 mtpt -72.94 -34.33 66.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.966 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.555 ' HA ' ' HB3' ' B' ' 11' ' ' LEU . 1.1 tmt? -65.21 -34.47 78.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.511 175.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.452 ' O ' HD23 ' B' ' 13' ' ' LEU . 53.2 tt0 -62.2 -46.81 87.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 26.6 ttt -62.38 -41.69 98.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.134 0.493 . . . . 0.0 109.887 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.555 ' HB3' ' HA ' ' B' ' 8' ' ' MET . 15.8 tp -54.13 -48.66 70.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.078 175.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.98 ' HE2' ' HA ' ' B' ' 12' ' ' LYS . 9.2 mmpt? -66.61 -33.05 74.8 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.36 -177.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.452 HD23 ' O ' ' B' ' 9' ' ' GLN . 4.0 mm? -64.9 -40.87 95.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.953 0.406 . . . . 0.0 110.223 175.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.703 ' HA ' ' HD2' ' B' ' 17' ' ' HIS . 1.2 t70 -70.45 -44.24 68.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.458 0.646 . . . . 0.0 109.789 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -40.57 89.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.732 177.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -66.21 -45.41 80.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.46 -177.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.703 ' HD2' ' HA ' ' B' ' 14' ' ' ASP . 12.2 p80 -66.99 -28.19 68.05 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 119.832 -0.747 . . . . 0.0 109.948 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.516 ' O ' HG23 ' B' ' 22' ' ' VAL . 96.9 mt -70.39 -52.62 21.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.334 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.36 -41.3 88.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.56 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -57.39 -47.76 80.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.603 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -62.35 -44.52 96.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.232 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 18' ' ' LEU . 83.9 t -61.24 -48.68 87.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.888 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.24 91.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.948 0.404 . . . . 0.0 111.315 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.425 ' HD3' ' HA ' ' B' ' 24' ' ' ARG . 80.8 mmt-85 -63.98 -40.59 96.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 tp -73.19 -35.71 66.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.827 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -56.91 -49.76 74.63 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.948 0.404 . . . . 0.0 110.788 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -69.8 -30.89 68.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.739 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.28 -46.51 70.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.053 0.454 . . . . 0.0 110.636 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.448 HG22 ' HB ' ' A' ' 29' ' ' VAL . 87.7 t -70.37 -35.04 60.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.726 178.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.86 -32.28 77.26 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.052 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.89 -42.96 99.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.368 0.604 . . . . 0.0 111.475 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.809 -171.919 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.748 -0.141 . . . . 0.0 112.748 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 249' ' ' CYS . . . . . 0.412 ' HB2' ' SG ' ' D' ' 249' ' ' CYS . 48.8 t -159.31 -17.84 0.06 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.958 0.409 . . . . 0.0 110.871 -176.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 250' ' ' GLY . . . . . 0.401 ' H ' ' H ' ' C' ' 249' ' ' CYS . . . 135.25 -41.25 1.46 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.28 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -136.71 150.21 48.32 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 252' ' ' SER . . . . . 0.512 ' O ' ' HG ' ' C' ' 256' ' ' LEU . 34.0 t 68.24 -72.78 0.09 Allowed 'General case' 0 CA--C 1.53 0.185 0 O-C-N 124.019 0.824 . . . . 0.0 111.641 176.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 253' ' ' ILE . . . . . 0.525 ' O ' ' HG3' ' C' ' 257' ' ' GLU . 27.4 mm -56.9 -45.06 83.36 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.841 -175.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.63 -43.75 98.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.056 0.455 . . . . 0.0 110.888 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.87 -35.42 81.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.772 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 256' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' C' ' 252' ' ' SER . 78.3 mt -71.68 -35.61 70.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.704 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 257' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' C' ' 253' ' ' ILE . 53.5 mt-10 -61.2 -44.33 97.46 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.33 0.586 . . . . 0.0 109.733 176.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -64.2 -50.74 66.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.75 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 259' ' ' GLU . . . . . 0.436 ' HB3' ' HA ' ' C' ' 256' ' ' LEU . 10.6 tp10 -56.17 -50.0 72.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.623 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 260' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.93 -48.16 80.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.443 -177.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -59.52 -50.11 75.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.722 177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -60.99 -55.07 37.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.566 -177.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 263' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -58.61 -42.95 89.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.59 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -60.19 -47.75 84.64 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.092 0.472 . . . . 0.0 110.345 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 265' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' C' ' 265' ' ' LEU . 1.1 tm? -62.93 -50.91 68.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.15 -177.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 266' ' ' LYS . . . . . 0.537 ' HA ' ' HB3' ' C' ' 269' ' ' ALA . 0.0 OUTLIER -71.87 -20.21 61.84 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.626 -176.047 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -67.33 -44.95 77.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.143 0.497 . . . . 0.0 109.681 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -70.36 -39.01 74.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.917 175.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 269' ' ' ALA . . . . . 0.537 ' HB3' ' HA ' ' C' ' 266' ' ' LYS . . . -58.44 -48.84 79.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 270' ' ' ILE . . . . . 0.75 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 10.4 tt -65.03 -39.77 86.78 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.382 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 23.0 t -60.5 -46.98 88.14 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.781 0.324 . . . . 0.0 110.325 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.03 -39.29 89.22 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.433 176.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 273' ' ' GLU . . . . . 0.462 ' O ' ' HB3' ' C' ' 276' ' ' HIS . 28.7 tt0 -66.95 -34.98 78.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.721 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 274' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 31.6 mt -69.56 -41.96 75.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.787 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -58.52 -45.88 87.92 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 276' ' ' HIS . . . . . 0.462 ' HB3' ' O ' ' C' ' 273' ' ' GLU . 22.7 t-80 -50.78 -55.48 16.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.177 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 277' ' ' ALA . . . . . 0.488 ' HB1' ' HD2' ' B' ' 5' ' ' LYS . . . -51.06 -52.78 39.87 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.448 -0.796 . . . . 0.0 113.118 -174.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 278' ' ' LEU . . . . . 0.558 ' HG ' ' HB3' ' A' ' 3' ' ' ALA . 2.4 mm? -75.75 -37.09 59.62 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.125 -175.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -68.98 -19.85 64.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.649 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -60.71 -28.62 68.79 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.649 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 281' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' C' ' 282' ' ' THR . 0.0 OUTLIER -109.43 -78.4 0.59 Allowed 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.191 -173.701 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 282' ' ' THR . . . . . 0.457 ' N ' ' SD ' ' C' ' 281' ' ' MET . 23.5 m 66.75 -0.98 1.45 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.832 0.825 . . . . 0.0 110.436 -173.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 283' ' ' SER . . . . . 0.4 ' H ' ' C ' ' C' ' 281' ' ' MET . 22.8 t -151.1 60.48 0.91 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.082 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 284' ' ' ILE . . . . . 0.639 HG22 ' HG3' ' B' ' 8' ' ' MET . 13.8 pt . . . . . 0 C--O 1.251 1.153 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.179 170.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.549 ' CE ' HD13 ' C' ' 274' ' ' LEU . 23.5 mmt -92.75 82.53 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.208 0.528 . . . . 0.0 109.945 -178.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.682 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 8.6 p-10 -67.51 -19.86 65.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.481 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.558 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -54.51 -64.63 0.77 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.384 175.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.981 HD12 ' HB ' ' B' ' 4' ' ' ILE . 0.2 OUTLIER -64.5 -37.92 81.27 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.723 176.396 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.682 ' HB2' ' HA ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -57.23 -52.62 64.57 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -176.158 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -78.62 -29.92 46.23 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.042 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -37.25 86.46 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 173.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.8 ttp -62.54 -38.94 91.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.297 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -57.5 -52.24 66.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.103 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.1 ttt -65.15 -39.09 92.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.607 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.851 HD11 HD21 ' B' ' 11' ' ' LEU . 9.4 tt -57.36 -54.33 48.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.733 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -65.2 -34.52 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.909 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.81 -46.79 81.4 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.98 -37.27 83.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.756 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.01 -49.62 71.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -62.9 -37.83 88.51 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.232 0.539 . . . . 0.0 109.861 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -57.52 -53.8 54.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.842 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.15 -57.36 8.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.246 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -48.99 -50.7 34.58 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.448 0.467 . . . . 0.0 111.644 -175.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 45.1 t30 -68.15 -46.45 70.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.49 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -65.49 -41.77 92.89 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.198 0.523 . . . . 0.0 110.512 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.644 HG11 HG12 ' B' ' 22' ' ' VAL . 74.2 t -66.16 -34.86 73.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.594 178.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.9 83.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.199 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 60.9 mtp180 -69.7 -34.93 74.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.612 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.31 -49.08 68.25 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.577 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.542 ' HE3' HG12 ' A' ' 22' ' ' VAL . 17.1 ptpt -73.03 -19.09 61.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.51 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 46.6 tttp -71.13 -39.45 71.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.173 171.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.32 -52.92 63.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.034 0.445 . . . . 0.0 110.76 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 p -77.53 -25.39 14.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.012 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.0 -17.74 66.73 Favored Glycine 0 C--O 1.229 -0.206 0 CA-C-N 115.913 -0.585 . . . . 0.0 113.129 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 6.1 tp10 -67.71 -18.74 65.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.091 0.472 . . . . 0.0 110.534 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.655 -0.688 . . . . 0.0 110.281 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.599 -0.201 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 249' ' ' CYS . . . . . 0.681 ' HA ' ' CG1' ' D' ' 253' ' ' ILE . 58.6 m -98.62 156.12 16.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.733 0.302 . . . . 0.0 111.244 -178.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 250' ' ' GLY . . . . . 0.492 ' H ' ' HB ' ' D' ' 253' ' ' ILE . . . 119.29 -99.86 0.78 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.167 175.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 251' ' ' LYS . . . . . 0.735 ' HA ' ' HE3' ' D' ' 251' ' ' LYS . 0.1 OUTLIER -71.92 -52.71 15.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.696 0.284 . . . . 0.0 111.062 -170.075 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 16.6 m -66.45 -34.08 77.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.19 0.519 . . . . 0.0 110.345 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 253' ' ' ILE . . . . . 0.681 ' CG1' ' HA ' ' D' ' 249' ' ' CYS . 15.2 mm -63.98 -35.56 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.827 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.2 -49.48 71.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.088 0.471 . . . . 0.0 110.35 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.3 -45.72 75.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.097 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 256' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' D' ' 260' ' ' LEU . 82.1 mt -61.59 -45.95 91.92 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.775 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 257' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -65.27 -38.2 89.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 110.206 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.41 -50.68 72.61 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.097 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 259' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -73.67 -31.86 63.68 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.981 -177.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 260' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' D' ' 256' ' ' LEU . 5.2 tt -59.3 -44.75 92.49 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 261' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.39 -42.98 99.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.938 175.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.71 -51.01 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.852 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 263' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -67.18 -31.07 71.22 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.334 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -71.65 -36.47 70.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.144 0.497 . . . . 0.0 109.793 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 23.9 tp -67.68 -36.6 80.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.813 176.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 266' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -66.82 -40.43 88.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.501 175.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 267' ' ' TYR . . . . . 0.546 ' HA ' HG22 ' D' ' 270' ' ' ILE . 51.4 t80 -65.18 -39.12 92.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.807 0.337 . . . . 0.0 110.101 176.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -59.64 -47.91 83.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.961 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.56 98.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.711 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 270' ' ' ILE . . . . . 0.546 HG22 ' HA ' ' D' ' 267' ' ' TYR . 11.8 tt -71.42 -35.72 58.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.818 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 28.8 t -70.11 -35.81 74.4 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -66.18 -47.37 74.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.087 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -59.3 -58.46 8.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.204 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 274' ' ' LEU . . . . . 0.402 HD13 ' O ' ' D' ' 270' ' ' ILE . 6.3 mp -62.92 -46.81 86.05 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -174.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.03 -51.61 68.59 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.911 0.386 . . . . 0.0 110.05 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 276' ' ' HIS . . . . . 0.465 ' O ' ' HB2' ' D' ' 280' ' ' ASP . 2.0 t-80 -65.53 -40.37 92.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.855 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -69.65 -37.72 76.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -174.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 278' ' ' LEU . . . . . 0.546 ' HG ' ' SD ' ' B' ' 1' ' ' MET . 4.3 mm? -85.29 -24.07 27.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.878 0.37 . . . . 0.0 111.294 -177.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 279' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' D' ' 279' ' ' LYS . 29.2 ttmt -85.55 -19.07 31.67 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.571 0.701 . . . . 0.0 109.7 176.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 280' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' D' ' 276' ' ' HIS . 5.9 t70 -54.63 -46.51 73.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.938 -173.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 281' ' ' MET . . . . . 0.546 ' HG2' ' N ' ' D' ' 282' ' ' THR . 0.0 OUTLIER -89.8 -56.87 3.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.507 -0.477 . . . . 0.0 112.063 -173.632 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 282' ' ' THR . . . . . 0.546 ' N ' ' HG2' ' D' ' 281' ' ' MET . 0.4 OUTLIER 69.63 -32.6 0.23 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.51 0.724 . . . . 0.0 112.17 -174.551 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 283' ' ' SER . . . . . 0.453 ' H ' ' C ' ' D' ' 281' ' ' MET . 14.2 m -88.79 81.8 6.91 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.067 0.46 . . . . 0.0 111.336 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 284' ' ' ILE . . . . . 0.629 HG23 ' NZ ' ' B' ' 7' ' ' LYS . 1.7 tt . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.008 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.546 ' SD ' ' HG ' ' D' ' 278' ' ' LEU . 43.4 tpp -86.42 89.21 7.81 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -60.39 -25.75 66.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.051 -172.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.02 -69.09 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.917 0.389 . . . . 0.0 111.655 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.981 ' HB ' HD12 ' A' ' 4' ' ' ILE . 1.6 tp -72.81 -37.26 54.5 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.483 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.965 ' HA ' ' HE2' ' B' ' 5' ' ' LYS . 10.0 mmpt? -70.59 -47.21 61.31 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -172.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -68.69 -45.13 72.45 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.404 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.629 ' NZ ' HG23 ' D' ' 284' ' ' ILE . 8.0 mtmp? -66.63 -32.1 73.2 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.569 178.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.639 ' HG3' HG22 ' C' ' 284' ' ' ILE . 12.4 ttt -53.23 -47.87 68.65 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.91 0.386 . . . . 0.0 110.77 174.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.431 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 35.2 tt0 -59.4 -50.61 73.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.507 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 23.7 ttt -59.62 -46.88 87.67 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.198 0.523 . . . . 0.0 110.61 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.851 HD21 HD11 ' A' ' 11' ' ' LEU . 7.2 tp -50.96 -59.16 4.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.946 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -68.25 -28.7 67.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.551 -174.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 83.4 mt -67.92 -41.2 82.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.042 0.449 . . . . 0.0 110.044 174.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.651 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 34.6 t70 -63.93 -50.79 67.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.351 176.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -62.99 -32.74 74.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.57 -48.94 77.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.044 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.651 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 20.9 p80 -73.34 -23.64 60.26 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.187 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.622 ' O ' HG13 ' B' ' 22' ' ' VAL . 87.2 mt -67.53 -48.92 65.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.549 ' HA ' HG22 ' B' ' 22' ' ' VAL . 34.5 tt0 -61.6 -35.9 79.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.993 0.425 . . . . 0.0 110.008 177.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.654 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 44.6 t-20 -59.64 -48.77 80.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 175.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.35 -53.46 57.08 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.134 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.644 HG12 HG11 ' A' ' 22' ' ' VAL . 3.4 m -66.05 -27.84 42.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.241 -174.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.78 -41.39 83.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.061 0.458 . . . . 0.0 110.226 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' B' ' 20' ' ' ASN . 24.7 mmt180 -70.41 -36.84 74.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.594 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.471 ' O ' HG23 ' B' ' 29' ' ' VAL . 61.1 tp -62.62 -53.74 50.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.208 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -63.06 -34.63 78.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.914 0.388 . . . . 0.0 110.584 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -64.33 -40.48 95.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.624 177.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.7 -44.34 77.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.459 178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 25' ' ' LEU . 88.0 t -62.4 -38.1 80.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.21 -22.81 72.79 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.272 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -71.4 -48.04 52.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.436 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.072 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 N-CA-C 111.799 -0.52 . . . . 0.0 111.799 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 249' ' ' CYS . . . . . 0.584 ' HA ' HG13 ' C' ' 253' ' ' ILE . 42.2 m 60.95 35.97 18.91 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.609 0.364 . . . . 0.0 111.88 172.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . -117.53 51.97 0.71 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.246 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -151.7 -75.95 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.965 0.412 . . . . 0.0 110.77 -177.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 18.4 m -136.05 6.8 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.769 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 253' ' ' ILE . . . . . 0.584 HG13 ' HA ' ' C' ' 249' ' ' CYS . 47.9 mm -67.89 -30.0 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.155 -176.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -62.42 -44.49 96.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.299 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -81.86 -20.85 38.07 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.486 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 256' ' ' LEU . . . . . 0.554 ' HB2' ' HA ' ' C' ' 253' ' ' ILE . 2.7 mp -68.34 -47.33 67.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.524 174.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 257' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.59 -33.71 74.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 109.997 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.11 -58.92 6.33 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.495 0.664 . . . . 0.0 109.541 173.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 259' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -65.65 -30.89 71.65 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.548 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 260' ' ' LEU . . . . . 0.71 HD22 ' HG ' ' D' ' 256' ' ' LEU . 52.5 tp -57.91 -45.54 86.32 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.817 0.342 . . . . 0.0 110.115 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -61.51 -45.08 95.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.073 175.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -61.19 -49.98 74.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.213 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 263' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -60.4 -42.66 96.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.125 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 264' ' ' LYS . . . . . 0.566 ' HE2' HE21 ' D' ' 263' ' ' GLN . 3.7 tppp? -62.27 -47.0 86.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.542 -179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 36.9 tp -71.34 -41.91 69.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 266' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -62.34 -41.01 98.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.344 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -62.09 -43.96 97.69 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -60.99 -49.1 78.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.102 175.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -56.3 -51.7 67.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.986 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 270' ' ' ILE . . . . . 0.417 ' O ' HD13 ' C' ' 274' ' ' LEU . 16.0 tt -67.29 -44.44 87.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.608 -175.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 10.4 t -66.81 -34.38 77.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.302 0.572 . . . . 0.0 109.989 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -76.26 -37.36 57.69 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.52 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.6 -40.75 92.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.534 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 274' ' ' LEU . . . . . 0.524 ' O ' HD22 ' C' ' 278' ' ' LEU . 7.9 mp -57.53 -56.8 17.24 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 174.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 275' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' C' ' 279' ' ' LYS . 16.1 t70 -49.26 -47.67 46.48 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.659 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -59.91 -51.77 68.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.217 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -55.98 -40.82 73.84 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -174.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 278' ' ' LEU . . . . . 0.887 HD12 ' HE2' ' C' ' 281' ' ' MET . 0.8 OUTLIER -82.53 -19.34 38.82 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.605 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 279' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' C' ' 275' ' ' ASP . 0.7 OUTLIER -80.72 -27.77 36.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.462 178.132 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -56.31 -18.97 12.32 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.944 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 281' ' ' MET . . . . . 0.887 ' HE2' HD12 ' C' ' 278' ' ' LEU . 23.0 ptt? -128.27 34.7 4.52 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.454 -168.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 2.9 p -57.6 78.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.555 0.693 . . . . 0.0 112.633 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 283' ' ' SER . . . . . 0.41 ' N ' ' O ' ' C' ' 281' ' ' MET . 50.4 m -163.82 -36.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 284' ' ' ILE . . . . . 0.693 HG13 HD22 ' A' ' 11' ' ' LEU . 8.0 tt . . . . . 0 C--O 1.252 1.225 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.331 174.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' GLY . . . . . 0.593 ' HA2' ' CD ' ' D' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 112.258 -0.337 . . . . 0.0 112.258 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp -81.54 73.83 8.56 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 36.2 m-20 -57.61 -32.64 67.41 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.693 -175.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.2 -66.81 0.35 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.515 0.509 . . . . 0.0 111.582 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.488 HG23 ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -79.65 -36.98 17.95 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.493 -178.693 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.85 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -59.02 -48.68 80.71 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.655 0.264 . . . . 0.0 111.447 -177.17 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 0.7 OUTLIER -72.9 -42.77 63.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.384 -178.353 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.491 ' HE2' HG23 ' C' ' 284' ' ' ILE . 32.6 mtmm -70.76 -28.68 64.87 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 119.906 -0.717 . . . . 0.0 110.823 178.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.646 ' HG3' HD12 ' D' ' 284' ' ' ILE . 47.0 ttp -60.01 -44.47 94.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.866 0.365 . . . . 0.0 110.127 173.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.448 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 63.2 tt0 -60.52 -46.8 88.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.181 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -61.02 -46.25 91.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.169 177.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.891 HD21 HD21 ' B' ' 11' ' ' LEU . 15.7 tp -54.55 -53.09 59.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.307 176.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -65.47 -31.89 73.21 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.038 -177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 9' ' ' GLN . 90.3 mt -70.43 -38.77 74.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.975 0.417 . . . . 0.0 110.136 175.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.736 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 27.2 t70 -64.77 -48.86 72.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.825 176.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -35.96 80.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.218 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -64.22 -50.01 69.69 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.736 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 19.4 p80 -67.01 -26.02 66.58 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 119.876 -0.729 . . . . 0.0 110.328 -177.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.632 ' O ' HG23 ' A' ' 22' ' ' VAL . 94.0 mt -69.91 -61.98 1.56 Allowed 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -55.41 -38.96 69.61 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.065 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -64.33 -45.06 89.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.553 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.28 -37.21 86.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.208 0.528 . . . . 0.0 109.592 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 18' ' ' LEU . 47.7 t -65.72 -40.5 87.99 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.286 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.211 175.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . . . -61.68 -41.09 97.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.001 0.429 . . . . 0.0 110.249 176.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -60.61 -46.91 88.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.979 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.472 HD11 HG11 ' B' ' 29' ' ' VAL . 1.4 tm? -67.5 -46.26 73.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.751 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.642 ' HA ' HG12 ' A' ' 29' ' ' VAL . 18.1 ptpt -66.27 -30.06 70.41 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-O 120.685 0.278 . . . . 0.0 111.118 -176.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -73.82 -36.6 64.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.338 0.59 . . . . 0.0 109.658 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.58 -46.07 67.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.183 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.72 HG11 HD11 ' B' ' 25' ' ' LEU . 9.1 p -76.02 -23.4 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.991 0.424 . . . . 0.0 110.694 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.71 -44.04 72.54 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.219 175.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -75.64 -71.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.465 ' HG2' ' HA ' ' A' ' 29' ' ' VAL . 10.6 mmm180 . . . . . 0 C--O 1.248 1.003 0 C-N-CA 123.245 0.618 . . . . 0.0 111.895 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 112.554 -0.219 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 249' ' ' CYS . . . . . 0.412 ' HB2' ' HB ' ' D' ' 253' ' ' ILE . 82.9 m -112.85 9.83 19.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.719 0.295 . . . . 0.0 111.553 -175.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 83.2 -47.99 3.94 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.964 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -123.69 139.58 53.85 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 27.1 t 72.84 -60.71 0.53 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.395 0.678 . . . . 0.0 111.139 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 253' ' ' ILE . . . . . 0.42 ' HA ' HD13 ' D' ' 253' ' ' ILE . 17.9 mm -71.15 -31.26 43.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.851 0.357 . . . . 0.0 110.663 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -63.5 -43.64 96.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.693 0.759 . . . . 0.0 109.296 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -61.14 -37.21 82.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.205 175.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 256' ' ' LEU . . . . . 0.71 ' HG ' HD22 ' C' ' 260' ' ' LEU . 9.2 tt -61.55 -52.48 64.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.939 177.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 257' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -56.75 -44.52 81.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.995 0.426 . . . . 0.0 110.722 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.48 -59.03 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.592 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 259' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.16 -38.11 84.89 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.522 -1.217 . . . . 0.0 111.586 -174.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 260' ' ' LEU . . . . . 0.541 HD13 ' HG ' ' C' ' 256' ' ' LEU . 10.3 tt -60.4 -42.65 96.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.877 0.37 . . . . 0.0 110.115 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 261' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -61.69 -48.42 80.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.69 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 262' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' D' ' 266' ' ' LYS . . . -61.27 -51.82 67.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.04 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 263' ' ' GLN . . . . . 0.566 HE21 ' HE2' ' C' ' 264' ' ' LYS . 19.0 mm-40 -53.98 -46.61 71.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.455 179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -63.22 -38.82 92.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.013 0.435 . . . . 0.0 110.643 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.3 -42.24 72.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.047 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 266' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' D' ' 262' ' ' ALA . 53.0 mtpt -67.65 -30.36 69.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 110.403 178.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -65.71 -39.51 91.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.237 0.542 . . . . 0.0 110.082 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 268' ' ' LYS . . . . . 0.423 ' HA ' ' OG ' ' D' ' 271' ' ' SER . 45.6 tptt -74.16 -33.63 63.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.142 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.48 81.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.0 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 270' ' ' ILE . . . . . 0.48 HD11 HD22 ' C' ' 274' ' ' LEU . 11.9 tt -69.27 -37.71 76.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.798 -0.183 . . . . 0.0 111.361 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 271' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' D' ' 268' ' ' LYS . 11.7 p -69.98 -38.47 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.779 178.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 272' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' D' ' 275' ' ' ASP . 34.5 tp10 -63.94 -40.52 96.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.07 0.462 . . . . 0.0 109.758 172.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 273' ' ' GLU . . . . . 0.593 ' CD ' ' HA2' ' A' ' 0' ' ' GLY . 11.2 tp10 -62.51 -52.27 64.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.089 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 274' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.33 -28.44 70.01 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.803 0.335 . . . . 0.0 110.76 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 275' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' D' ' 279' ' ' LYS . 15.5 t70 -59.64 -53.31 59.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.148 175.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 276' ' ' HIS . . . . . 0.403 ' HD2' ' O ' ' D' ' 272' ' ' GLU . 93.9 m-70 -73.08 -28.1 62.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.104 -177.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -63.83 -47.48 80.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.365 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 278' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' D' ' 278' ' ' LEU . 3.5 mm? -85.94 -21.75 27.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.365 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 279' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' D' ' 275' ' ' ASP . 1.7 mptm? -69.34 -31.36 69.74 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.231 0.539 . . . . 0.0 110.051 173.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -47.69 -64.7 0.72 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.49 -1.232 . . . . 0.0 113.211 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 281' ' ' MET . . . . . 0.626 ' HG2' ' N ' ' D' ' 282' ' ' THR . 0.0 OUTLIER -75.26 -57.63 3.78 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.478 -170.891 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 282' ' ' THR . . . . . 0.626 ' N ' ' HG2' ' D' ' 281' ' ' MET . 1.3 t 49.38 14.19 0.09 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.119 0.968 . . . . 0.0 111.89 -171.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 20.1 m -151.19 69.59 0.95 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.875 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 284' ' ' ILE . . . . . 0.646 HD12 ' HG3' ' A' ' 8' ' ' MET . 10.0 tt . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.05 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.8 mmm -76.94 98.21 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.21 -29.93 70.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.431 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.58 -62.66 1.57 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.823 0.344 . . . . 0.0 111.251 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.472 HG12 HG13 ' A' ' 4' ' ' ILE . 1.5 tp -68.53 -35.5 70.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.734 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.757 ' HA ' ' HE2' ' B' ' 5' ' ' LYS . 0.5 OUTLIER -61.71 -52.33 64.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.454 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' B' ' 9' ' ' GLN . 63.0 tttp -69.93 -42.73 72.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.026 0.441 . . . . 0.0 110.922 -176.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.614 ' HB3' ' OXT' ' D' ' 284' ' ' ILE . 19.4 mtmm -64.02 -40.81 97.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.49 ' HA ' ' HB3' ' B' ' 11' ' ' LEU . 12.9 ttp -58.69 -37.15 75.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.736 0.303 . . . . 0.0 110.777 176.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' B' ' 6' ' ' LYS . 63.0 tt0 -56.75 -53.87 52.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.065 177.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 82.7 mtp -66.8 -35.08 79.24 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.52 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.891 HD21 HD21 ' A' ' 11' ' ' LEU . 27.6 tp -57.07 -55.96 27.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.442 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -63.51 -39.92 95.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.714 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 92.7 mt -59.6 -37.97 79.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.93 0.395 . . . . 0.0 110.331 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.74 ' HA ' ' HD2' ' B' ' 17' ' ' HIS . 22.8 t70 -65.89 -46.46 78.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.101 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.21 -43.48 78.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.066 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -65.46 -43.04 91.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.927 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.74 ' HD2' ' HA ' ' B' ' 14' ' ' ASP . 2.1 p80 -72.97 -29.98 63.48 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.902 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.633 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.0 tm? -60.99 -49.1 78.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 175.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.86 -25.82 68.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.677 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -70.69 -48.38 54.99 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -42.2 93.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.829 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.633 HG23 ' O ' ' B' ' 18' ' ' LEU . 86.3 t -60.38 -49.69 83.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.929 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.93 -45.17 74.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.02 0.438 . . . . 0.0 111.061 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -67.78 -40.57 83.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.559 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.72 HD11 HG11 ' A' ' 29' ' ' VAL . 51.9 tp -67.97 -45.68 73.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.45 -177.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.616 ' HA ' HG12 ' B' ' 29' ' ' VAL . 14.0 ptmm? -71.53 -26.95 62.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.833 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -70.16 -42.19 72.83 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 172.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 tp -60.33 -53.67 54.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.688 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' B' ' 26' ' ' LYS . 10.9 p -64.67 -26.71 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-O 121.013 0.435 . . . . 0.0 110.564 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.72 -25.11 74.83 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.907 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.494 ' HB3' HH11 ' B' ' 32' ' ' ARG . 32.6 tt0 -81.83 -37.28 27.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.392 0.139 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.494 HH11 ' HB3' ' B' ' 31' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.802 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.976 0 CA-C-O 120.005 -0.331 . . . . 0.0 113.291 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 249' ' ' CYS . . . . . 1.05 ' HA ' HG12 ' C' ' 253' ' ' ILE . 10.2 t 63.4 -164.53 0.25 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 117.129 0.464 . . . . 0.0 111.314 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . 89.37 59.09 1.58 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.028 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 87.4 tttt 74.33 -39.32 0.42 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.655 0.782 . . . . 0.0 111.06 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 22.9 t -68.13 -3.75 11.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.568 -178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 253' ' ' ILE . . . . . 1.05 HG12 ' HA ' ' C' ' 249' ' ' CYS . 1.4 mm -65.15 -28.99 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.763 0.316 . . . . 0.0 110.311 175.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.11 -47.42 82.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.314 176.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.82 -30.89 65.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.443 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 8.8 tp -66.14 -48.42 70.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.259 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 257' ' ' GLU . . . . . 0.585 ' HG2' HD11 ' D' ' 256' ' ' LEU . 46.6 mt-10 -65.45 -36.27 83.39 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.032 0.444 . . . . 0.0 110.12 176.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -56.46 -59.52 4.86 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 121.581 0.705 . . . . 0.0 110.388 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 259' ' ' GLU . . . . . 0.468 ' OE1' HD11 ' D' ' 260' ' ' LEU . 7.8 tm-20 -66.12 -33.23 75.31 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.195 -1.366 . . . . 0.0 110.622 -176.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 260' ' ' LEU . . . . . 0.635 HD22 ' HG ' ' D' ' 256' ' ' LEU . 46.7 tp -56.2 -54.26 47.37 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.027 0.442 . . . . 0.0 110.901 174.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 261' ' ' TYR . . . . . 0.546 ' HD1' ' O ' ' C' ' 257' ' ' GLU . 32.5 m-85 -69.66 -38.85 77.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.799 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -61.97 -50.13 73.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.357 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 263' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -65.4 -36.19 83.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -63.91 -43.81 94.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.108 0.48 . . . . 0.0 109.867 176.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.71 -42.55 99.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.515 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 266' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.4 -37.43 80.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.344 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -58.68 -43.16 89.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.457 0.646 . . . . 0.0 109.882 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -66.85 -46.69 74.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.172 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.41 92.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.149 -176.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 270' ' ' ILE . . . . . 0.656 HD13 HD12 ' D' ' 270' ' ' ILE . 12.6 tt -71.33 -38.04 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.713 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 29.4 t -64.05 -37.22 86.63 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.86 -46.89 88.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.906 173.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -62.75 -46.75 86.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.079 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 274' ' ' LEU . . . . . 0.637 ' HG ' ' CE ' ' B' ' 1' ' ' MET . 8.1 mp -65.54 -34.43 78.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.813 -0.176 . . . . 0.0 110.748 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.33 -48.13 77.37 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.166 0.508 . . . . 0.0 109.823 175.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 276' ' ' HIS . . . . . 0.486 ' HA ' ' HB2' ' C' ' 279' ' ' LYS . 12.0 m170 -74.1 -24.38 59.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.552 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -67.07 -40.54 87.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.906 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 278' ' ' LEU . . . . . 0.608 ' CD1' ' HB ' ' A' ' 4' ' ' ILE . 2.6 mm? -86.09 -31.93 21.64 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.731 177.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 279' ' ' LYS . . . . . 0.486 ' HB2' ' HA ' ' C' ' 276' ' ' HIS . 36.1 mttp -65.59 -19.19 65.82 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.896 0.379 . . . . 0.0 110.93 173.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -50.89 -47.52 60.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.569 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 281' ' ' MET . . . . . 0.492 ' SD ' ' N ' ' C' ' 282' ' ' THR . 0.0 OUTLIER -110.04 -57.3 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.102 -174.497 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 282' ' ' THR . . . . . 0.492 ' N ' ' SD ' ' C' ' 281' ' ' MET . 57.1 p 49.37 23.09 0.79 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.6 0.76 . . . . 0.0 112.095 -174.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 78.8 p -126.3 8.29 7.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 284' ' ' ILE . . . . . 0.488 HG13 ' OXT' ' C' ' 284' ' ' ILE . 10.2 pt . . . . . 0 C--O 1.243 0.728 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.741 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 CA-C-O 119.36 -0.689 . . . . 0.0 113.187 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.545 ' HG2' ' HG3' ' D' ' 273' ' ' GLU . 82.8 mmm -49.36 101.18 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 117.533 0.666 . . . . 0.0 110.775 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -66.84 -34.28 77.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.099 -0.955 . . . . 0.0 113.069 -168.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.475 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -52.13 -67.3 0.26 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -176.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.608 ' HB ' ' CD1' ' C' ' 278' ' ' LEU . 0.0 OUTLIER -73.31 -33.56 41.26 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.998 -177.097 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.784 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -60.23 -44.7 94.99 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.89 179.207 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -64.25 -52.19 59.93 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.337 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HE3' ' OXT' ' C' ' 284' ' ' ILE . 26.6 mtpp -65.61 -38.59 89.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.011 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.418 ' HG3' HG13 ' D' ' 284' ' ' ILE . 24.7 ttp -57.12 -40.81 77.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.875 178.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.8 -45.12 79.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.264 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.51 -40.02 95.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.449 0.642 . . . . 0.0 110.064 177.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.72 -51.43 69.38 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.648 175.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.845 ' HA ' ' HE3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -62.18 -37.98 87.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.094 -176.537 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 14' ' ' ASP . 4.5 pp -74.28 -30.34 62.05 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.811 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.479 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 26.5 t0 -67.75 -44.1 78.3 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.554 0.692 . . . . 0.0 109.151 174.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -36.11 82.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.428 176.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -61.1 -49.92 75.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.16 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.479 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 22.0 p80 -69.48 -34.96 75.11 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 119.811 -0.755 . . . . 0.0 110.113 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 22' ' ' VAL . 68.1 mt -63.86 -50.2 69.74 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.735 177.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.24 -31.35 68.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.086 0.47 . . . . 0.0 110.374 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.631 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 2.4 t30 -76.16 -46.06 30.44 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -61.7 -38.93 89.67 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.24 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 18' ' ' LEU . 94.4 t -60.87 -49.03 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.2 97.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.631 ' HG2' ' O ' ' A' ' 20' ' ' ASN . 34.1 mmt180 -63.99 -43.41 95.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.705 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.1 tp -67.5 -39.86 85.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.45 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.27 -34.68 78.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.611 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -36.19 67.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.322 177.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.42 -48.38 75.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.0 p -74.25 -25.11 19.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.451 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.19 -28.56 59.99 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.136 -0.554 . . . . 0.0 111.925 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.57 -26.89 68.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.305 0.574 . . . . 0.0 109.872 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 C--O 1.249 1.037 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.327 -179.567 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 112.105 -0.398 . . . . 0.0 112.105 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 249' ' ' CYS . . . . . 0.536 ' O ' ' HB ' ' D' ' 253' ' ' ILE . 6.2 p -89.62 -16.31 30.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.819 0.342 . . . . 0.0 111.332 -177.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . -86.44 20.45 22.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.992 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -123.28 79.92 1.72 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.708 -0.29 . . . . 0.0 110.551 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 45.4 m 58.13 14.76 2.89 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.468 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 253' ' ' ILE . . . . . 0.536 ' HB ' ' O ' ' D' ' 249' ' ' CYS . 20.2 mm -78.93 -28.93 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.605 0.241 . . . . 0.0 110.815 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -67.23 -40.64 86.38 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.91 -47.57 74.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.556 174.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 256' ' ' LEU . . . . . 0.635 ' HG ' HD22 ' C' ' 260' ' ' LEU . 10.5 tt -57.51 -51.51 69.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.813 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 257' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -70.7 -25.69 63.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.775 0.321 . . . . 0.0 110.261 -177.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.33 -53.89 48.51 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.195 0.522 . . . . 0.0 110.224 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 259' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' D' ' 263' ' ' GLN . 5.3 pt-20 -76.99 -23.01 52.3 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.491 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 260' ' ' LEU . . . . . 0.468 HD11 ' OE1' ' C' ' 259' ' ' GLU . 34.6 tp -66.46 -35.45 80.31 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 261' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -44.11 97.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.284 173.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.84 95.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.75 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 263' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' D' ' 259' ' ' GLU . 15.3 mm100 -53.71 -46.1 70.64 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.204 0.315 . . . . 0.0 111.259 176.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -51.86 -51.47 56.45 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.147 0.499 . . . . 0.0 110.478 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.5 -42.06 92.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.302 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 266' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -63.1 -43.63 97.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.578 0.228 . . . . 0.0 111.482 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -61.61 -44.65 96.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.123 0.487 . . . . 0.0 109.783 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -67.54 -41.69 83.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.519 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -58.66 -46.1 87.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.677 -177.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 270' ' ' ILE . . . . . 0.656 HD12 HD13 ' C' ' 270' ' ' ILE . 0.0 OUTLIER -72.09 -35.04 52.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.419 -178.581 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 39.2 m -64.33 -46.77 82.07 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.177 0.513 . . . . 0.0 110.334 176.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.79 -36.5 84.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.608 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 273' ' ' GLU . . . . . 0.545 ' HG3' ' HG2' ' A' ' 1' ' ' MET . 10.1 tp10 -57.18 -61.47 2.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.384 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 274' ' ' LEU . . . . . 0.573 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 4.2 pp -58.16 -38.26 76.27 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.806 0.336 . . . . 0.0 111.0 -176.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 275' ' ' ASP . . . . . 0.456 ' N ' HD12 ' D' ' 274' ' ' LEU . 19.8 t70 -63.43 -52.25 62.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 178.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -67.16 -38.07 84.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.969 -176.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.95 88.5 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -175.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 278' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' D' ' 278' ' ' LEU . 4.4 mm? -81.79 -27.98 33.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.087 0.47 . . . . 0.0 111.676 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -84.05 -17.9 38.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.979 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -46.0 68.06 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.411 -177.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 281' ' ' MET . . . . . 0.41 ' HG3' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -94.71 -35.65 12.06 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.236 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 282' ' ' THR . . . . . 0.558 ' O ' ' HE2' ' B' ' 7' ' ' LYS . 62.9 m 70.39 -57.74 0.57 Allowed 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.011 0.819 . . . . 0.0 111.525 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 24.1 m -98.15 75.02 2.28 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.303 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 284' ' ' ILE . . . . . 0.446 HD12 HD11 ' A' ' 4' ' ' ILE . 3.7 tt . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.532 -0.747 . . . . 0.0 109.462 170.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.637 ' CE ' ' HG ' ' C' ' 274' ' ' LEU . 75.9 mtm -135.35 98.98 4.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.921 0.391 . . . . 0.0 110.553 176.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -85.48 -19.63 30.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.313 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -45.03 -58.29 3.28 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.658 0.599 . . . . 0.0 111.914 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.427 HG23 ' HE3' ' B' ' 5' ' ' LYS . 0.1 OUTLIER -63.72 -49.35 82.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.3 -179.49 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.434 ' HA ' ' HB3' ' B' ' 8' ' ' MET . 0.0 OUTLIER -67.98 -33.07 73.93 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -173.485 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -71.86 -48.38 46.37 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.558 ' HE2' ' O ' ' D' ' 282' ' ' THR . 17.4 mtpp -69.33 -32.75 72.06 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.434 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 2.6 ttt -55.61 -42.35 74.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.864 172.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -63.14 -43.7 97.61 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 44.7 mtt -62.49 -47.15 85.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.509 0.671 . . . . 0.0 109.747 174.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' B' ' 8' ' ' MET . 10.2 tp -52.78 -57.72 9.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.218 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -64.31 -40.91 96.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.812 -175.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.79 -38.69 89.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.965 0.412 . . . . 0.0 110.332 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.71 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 17.9 t70 -64.81 -47.02 79.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.997 176.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -38.11 85.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.124 178.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -70.89 -32.16 69.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.71 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 6.8 p80 -77.85 -24.78 48.48 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.408 174.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.565 ' O ' HG23 ' B' ' 22' ' ' VAL . 55.6 mt -69.59 -51.53 34.39 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.592 175.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -30.59 71.69 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.743 0.306 . . . . 0.0 110.585 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -63.26 -46.98 84.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.277 0.56 . . . . 0.0 109.671 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -62.51 -43.98 97.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.647 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.572 HG12 ' HE3' ' B' ' 26' ' ' LYS . 87.1 t -56.85 -44.62 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.944 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.89 -45.47 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.7 -27.53 61.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.79 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 44.8 tp -68.88 -49.58 57.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.463 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.572 ' HE3' HG12 ' B' ' 22' ' ' VAL . 18.8 ptpt -70.62 -19.72 62.8 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.944 0.402 . . . . 0.0 110.286 178.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -67.41 -47.67 69.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.467 172.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' B' ' 31' ' ' GLU . 7.6 tt -65.89 -47.4 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.168 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.3 -32.2 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.68 -33.3 86.88 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.569 175.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' B' ' 28' ' ' LEU . 45.5 mm-40 -65.9 -19.49 65.89 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.733 0.413 . . . . 0.0 110.789 174.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' B' ' 28' ' ' LEU . 15.9 mmt180 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.3 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.13 -0.388 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 249' ' ' CYS . . . . . 0.477 ' HA ' ' CG1' ' C' ' 253' ' ' ILE . 7.8 p -90.18 85.3 6.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.184 0.516 . . . . 0.0 110.664 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . -154.88 -47.85 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.231 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -131.19 -47.36 1.0 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 252' ' ' SER . . . . . 0.527 ' O ' ' HB2' ' C' ' 256' ' ' LEU . 15.8 m -67.44 -20.21 65.47 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -175.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 253' ' ' ILE . . . . . 0.477 ' CG1' ' HA ' ' C' ' 249' ' ' CYS . 13.5 mm -81.0 -25.0 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.607 -175.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -61.62 -50.75 71.32 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.43 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -78.84 -19.37 52.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.447 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 256' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' C' ' 252' ' ' SER . 1.4 tt -67.74 -49.18 63.92 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 257' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.78 -39.12 87.69 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -52.71 -52.83 54.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.893 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 259' ' ' GLU . . . . . 0.451 ' OE2' ' HE2' ' D' ' 264' ' ' LYS . 29.1 tt0 -70.49 -32.27 69.71 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.176 -177.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 260' ' ' LEU . . . . . 0.851 ' HA ' HD13 ' D' ' 260' ' ' LEU . 26.2 tp -54.74 -54.09 46.56 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.002 0.429 . . . . 0.0 110.002 175.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 261' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' C' ' 265' ' ' LEU . 53.0 t80 -60.01 -48.38 81.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.759 178.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 262' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' C' ' 266' ' ' LYS . . . -59.49 -42.17 91.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.077 -177.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 263' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -67.41 -54.11 23.28 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 264' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' C' ' 260' ' ' LEU . 17.6 ptpt -68.78 -30.87 69.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.942 -176.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 265' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' C' ' 265' ' ' LEU . 3.7 mm? -72.53 -39.87 67.21 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.295 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 266' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' C' ' 262' ' ' ALA . 4.9 ptpp? -73.03 -19.78 61.12 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.003 177.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -65.46 -44.75 86.23 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 171.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -64.41 -41.8 96.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.163 0.506 . . . . 0.0 109.647 174.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 269' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' C' ' 266' ' ' LYS . . . -64.96 -40.34 94.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.946 -178.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 270' ' ' ILE . . . . . 0.72 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 8.5 tt -73.36 -33.15 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 110.718 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 42.4 t -64.49 -46.4 83.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.203 0.525 . . . . 0.0 109.632 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -59.98 -42.76 94.88 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.562 172.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 273' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' C' ' 270' ' ' ILE . 11.4 tp10 -55.11 -57.72 10.59 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.01 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 274' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 54.1 mt -55.92 -42.08 75.52 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 123.278 0.361 . . . . 0.0 111.237 -175.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 275' ' ' ASP . . . . . 0.616 ' O ' ' HB2' ' C' ' 279' ' ' LYS . 32.8 t70 -58.36 -58.78 6.97 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 276' ' ' HIS . . . . . 0.421 ' HA ' ' HB2' ' C' ' 279' ' ' LYS . 34.8 m80 -71.69 -19.28 62.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.391 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 277' ' ' ALA . . . . . 0.401 ' HA ' ' HA2' ' B' ' 0' ' ' GLY . . . -63.71 -47.48 80.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.825 0.345 . . . . 0.0 110.496 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 278' ' ' LEU . . . . . 0.562 ' CD1' ' HB ' ' A' ' 4' ' ' ILE . 3.8 mm? -87.68 -25.49 23.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.139 0.495 . . . . 0.0 111.178 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 279' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' C' ' 275' ' ' ASP . 1.2 tmtm? -66.69 -20.09 65.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.438 0.637 . . . . 0.0 109.533 172.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.72 -39.12 61.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.868 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 281' ' ' MET . . . . . 0.569 ' SD ' ' HE2' ' B' ' 5' ' ' LYS . 0.6 OUTLIER -111.35 -67.05 1.02 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.182 -165.509 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 282' ' ' THR . . . . . 0.525 ' H ' ' HG2' ' C' ' 281' ' ' MET . 40.2 m 71.43 -37.23 0.39 Allowed 'General case' 0 CA--C 1.536 0.411 0 O-C-N 123.362 0.414 . . . . 0.0 111.089 -170.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 283' ' ' SER . . . . . 0.495 ' H ' ' C ' ' C' ' 281' ' ' MET . 7.9 m -89.9 79.67 6.59 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.398 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 284' ' ' ILE . . . . . 0.664 HD11 HD11 ' D' ' 284' ' ' ILE . 4.9 tt . . . . . 0 C--N 1.32 -0.681 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 171.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.7 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.675 ' HG3' HG22 ' A' ' 4' ' ' ILE . 40.4 tpp -140.95 50.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.632 0.729 . . . . 0.0 109.277 175.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.64 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 59.2 m-20 -57.45 -18.4 18.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.168 -177.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.53 -70.28 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.579 172.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.675 HG22 ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -70.84 -33.38 52.11 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.545 178.183 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.64 ' HB2' ' HA ' ' A' ' 2' ' ' ASP . 10.5 mmmm -59.92 -45.1 93.67 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.828 -177.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 9' ' ' GLN . 61.3 tttp -79.66 -32.01 41.49 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.952 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.547 ' HB3' ' O ' ' C' ' 284' ' ' ILE . 20.6 mtpp -65.74 -39.56 91.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 174.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 ttp -59.65 -38.3 81.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.363 174.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.567 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 54.6 tt0 -55.27 -54.81 38.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.192 176.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.463 ' HA ' HD12 ' A' ' 13' ' ' LEU . 87.0 mtp -65.02 -36.48 84.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.844 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD21 HD21 ' B' ' 11' ' ' LEU . 55.8 tp -57.93 -49.08 77.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.651 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -67.53 -32.66 73.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.978 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 9' ' ' GLN . 92.0 mt -59.63 -40.7 88.48 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.243 0.544 . . . . 0.0 110.366 176.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.536 ' HA ' ' HD2' ' A' ' 17' ' ' HIS . 2.4 t70 -65.06 -41.72 94.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.621 177.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -34.99 79.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.976 177.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.415 ' HD2' ' HA ' ' A' ' 13' ' ' LEU . 13.7 m-85 -61.1 -49.48 77.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.26 178.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.536 ' HD2' ' HA ' ' A' ' 14' ' ' ASP . 13.8 p80 -70.36 -25.25 63.19 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.3 -178.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.1 mt -71.69 -49.22 41.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.326 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.474 ' HA ' HG12 ' A' ' 22' ' ' VAL . 32.2 tt0 -62.49 -46.49 88.23 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.504 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.77 -40.74 84.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.448 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.18 -46.3 67.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.315 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.532 ' HB ' HG22 ' B' ' 22' ' ' VAL . 12.1 p -66.68 -34.85 72.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.28 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.51 98.53 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.391 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -57.59 -45.82 84.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.5 tp -72.46 -39.61 67.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.536 ' HE2' HD22 ' B' ' 25' ' ' LEU . 71.7 mmtt -58.43 -42.66 87.79 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.19 0.519 . . . . 0.0 109.884 173.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -43.62 95.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.887 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -63.55 -51.19 66.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.979 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.515 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 11.5 p -70.82 -22.76 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.939 0.399 . . . . 0.0 111.177 -177.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.76 -19.62 57.65 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.06 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.1 -39.83 65.47 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.601 0.36 . . . . 0.0 111.132 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.903 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.555 177.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.204 -0.358 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 249' ' ' CYS . . . . . . . . . . . . . 51.0 t -158.38 -41.7 0.06 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.944 0.402 . . . . 0.0 110.717 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 105.53 33.89 3.48 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.581 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -157.79 -93.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 43.4 m -122.73 -17.43 6.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.713 -175.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 253' ' ' ILE . . . . . 0.433 HD13 HD13 ' D' ' 256' ' ' LEU . 1.7 mm -63.26 -33.28 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.385 0.612 . . . . 0.0 110.218 175.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.1 -40.3 90.65 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.449 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 255' ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' D' ' 258' ' ' ASP . 7.1 t70 -66.77 -34.72 78.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.334 175.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 256' ' ' LEU . . . . . 0.52 HD21 HD22 ' C' ' 260' ' ' LEU . 7.3 tt -60.6 -46.05 91.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.025 178.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 257' ' ' GLU . . . . . 0.461 ' HA ' ' HB3' ' D' ' 260' ' ' LEU . 0.7 OUTLIER -70.7 -27.26 63.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.308 179.265 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 258' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' D' ' 255' ' ' ASP . 30.1 t70 -56.25 -53.9 51.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.06 0.457 . . . . 0.0 110.248 175.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 259' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' D' ' 263' ' ' GLN . 9.8 pt-20 -76.99 -30.32 55.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.998 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 260' ' ' LEU . . . . . 1.047 ' HG ' ' HE3' ' D' ' 264' ' ' LYS . 37.9 tp -61.37 -46.74 88.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 261' ' ' TYR . . . . . 0.794 ' HA ' ' HD2' ' D' ' 264' ' ' LYS . 63.2 t80 -63.97 -36.33 83.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.948 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.79 91.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.168 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 263' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' D' ' 259' ' ' GLU . 27.3 mm-40 -58.2 -43.65 87.69 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.518 175.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 264' ' ' LYS . . . . . 1.047 ' HE3' ' HG ' ' D' ' 260' ' ' LEU . 90.4 mttt -58.69 -46.46 87.21 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.792 177.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.98 -48.15 83.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.185 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 266' ' ' LYS . . . . . 0.792 ' HE2' ' HA ' ' D' ' 266' ' ' LYS . 10.4 mmpt? -63.18 -40.86 98.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.929 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -63.8 -39.18 93.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.612 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -67.18 -38.76 85.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.079 0.466 . . . . 0.0 110.123 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -68.07 -42.72 80.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.79 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 270' ' ' ILE . . . . . 0.489 HD13 HD13 ' C' ' 270' ' ' ILE . 9.4 tt -73.54 -37.69 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.223 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 20.8 p -66.92 -41.52 86.94 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.049 178.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -56.43 -45.65 80.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.012 171.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.9 -47.31 85.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.484 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 274' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' D' ' 270' ' ' ILE . 62.6 mt -67.41 -44.86 77.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.767 0.318 . . . . 0.0 110.541 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -57.85 -48.77 78.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.125 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.78 -37.07 86.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.548 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 277' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' D' ' 280' ' ' ASP . . . -76.13 -35.17 59.36 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 278' ' ' LEU . . . . . 0.605 HD12 ' HB ' ' B' ' 4' ' ' ILE . 3.7 mm? -86.81 -30.27 21.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -80.56 -18.29 48.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.982 0.42 . . . . 0.0 110.027 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 280' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' D' ' 277' ' ' ALA . 20.3 t70 -37.56 -67.2 0.2 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.696 -1.138 . . . . 0.0 113.443 175.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 281' ' ' MET . . . . . 0.613 ' HE1' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -80.73 -42.15 22.37 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -169.376 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 282' ' ' THR . . . . . . . . . . . . . 46.3 p 59.27 -28.1 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.343 1.057 . . . . 0.0 113.188 -170.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 283' ' ' SER . . . . . 0.529 ' H ' ' C ' ' D' ' 281' ' ' MET . 49.6 m -92.78 85.68 5.28 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.165 0.507 . . . . 0.0 110.772 175.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 284' ' ' ILE . . . . . 0.664 HD11 HD11 ' C' ' 284' ' ' ILE . 4.3 tt . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 0' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' C' ' 277' ' ' ALA . . . . . . . . 0 N--CA 1.482 1.705 0 CA-C-O 119.789 -0.451 . . . . 0.0 112.579 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.7 mtp 58.5 90.54 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.143 0.577 . . . . 0.0 110.559 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.12 -31.93 65.81 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.45 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -47.03 -75.38 0.03 OUTLIER 'General case' 0 C--O 1.238 0.488 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.605 ' HB ' HD12 ' D' ' 278' ' ' LEU . 0.0 OUTLIER -69.04 -25.21 29.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.217 -176.225 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.569 ' HE2' ' SD ' ' C' ' 281' ' ' MET . 0.0 OUTLIER -78.02 -39.34 42.39 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.239 -0.585 . . . . 0.0 112.125 -173.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -66.28 -44.11 84.49 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.455 ' HE3' ' CG2' ' D' ' 284' ' ' ILE . 22.1 mtpp -66.18 -41.96 89.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.726 177.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.4 ttt -49.71 -46.65 50.41 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.349 0.406 . . . . 0.0 111.466 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -64.3 -42.8 96.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.975 0.416 . . . . 0.0 110.275 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 77.0 mtp -63.56 -37.42 87.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.363 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.433 HD21 HD21 ' A' ' 11' ' ' LEU . 37.5 tp -67.9 -40.39 83.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.248 178.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -60.46 -45.78 92.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.816 0.341 . . . . 0.0 110.133 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.45 -34.47 78.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.251 176.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.639 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 8.0 t70 -63.82 -52.06 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.289 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -59.08 -34.45 71.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.046 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -59.23 -50.85 72.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.05 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.639 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 21.3 p80 -73.59 -24.43 60.06 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.526 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 22' ' ' VAL . 95.3 mt -67.32 -48.19 68.31 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 174.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.0 -44.13 97.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.354 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.53 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 95.4 m-20 -59.76 -44.2 93.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.702 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -55.53 -54.9 38.17 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.297 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 22' ' ' VAL . 58.5 t -59.38 -43.14 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.821 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.81 -46.83 86.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.551 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' B' ' 20' ' ' ASN . 11.3 mmp_? -65.12 -35.28 80.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.536 HD22 ' HE2' ' A' ' 26' ' ' LYS . 47.9 tp -69.31 -41.9 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.455 ' HE3' ' CG1' ' B' ' 22' ' ' VAL . 96.7 mttt -66.55 -28.68 68.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.477 177.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.469 ' O ' ' HD2' ' B' ' 27' ' ' LYS . 0.4 OUTLIER -71.28 -45.71 62.52 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.807 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 tp -54.21 -53.3 55.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.337 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.06 -33.77 16.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.171 -177.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.77 -19.63 79.83 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.889 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -63.41 -22.43 66.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.973 0.416 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.43 177.295 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 248' ' ' GLY . . . . . 0.475 ' HA2' ' SG ' ' D' ' 249' ' ' CYS . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 249' ' ' CYS . . . . . 0.504 ' SG ' HG21 ' C' ' 253' ' ' ILE . 50.3 m -98.64 5.22 47.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.87 0.366 . . . . 0.0 110.449 178.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . 142.03 -104.93 0.39 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.746 -175.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -108.07 148.04 30.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 28.8 m 71.54 -55.79 0.65 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.724 0.64 . . . . 0.0 111.795 178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 253' ' ' ILE . . . . . 0.527 HD13 HD12 ' C' ' 256' ' ' LEU . 26.5 mm -55.38 -31.27 27.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 122.833 0.453 . . . . 0.0 112.016 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.69 -50.62 49.51 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.868 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.7 -38.16 80.83 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.041 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 256' ' ' LEU . . . . . 0.527 HD12 HD13 ' C' ' 253' ' ' ILE . 82.5 mt -62.92 -56.49 16.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.932 177.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 257' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -53.44 -44.69 69.04 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.15 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.36 -48.18 80.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 259' ' ' GLU . . . . . 0.588 ' O ' ' HG2' ' C' ' 263' ' ' GLN . 3.2 pt-20 -73.63 -26.28 60.7 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.631 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 260' ' ' LEU . . . . . 0.549 ' HB2' HD12 ' D' ' 260' ' ' LEU . 65.9 tp -57.05 -47.93 79.75 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -61.08 -47.03 88.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.908 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.29 82.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.61 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 263' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' C' ' 259' ' ' GLU . 63.6 mm-40 -54.53 -60.2 3.67 Favored 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.438 0.461 . . . . 0.0 111.669 -178.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 264' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' C' ' 260' ' ' LEU . 0.7 OUTLIER -64.93 -29.19 70.12 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -172.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.54 -42.33 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.552 0.215 . . . . 0.0 111.322 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 266' ' ' LYS . . . . . 0.444 ' HE2' ' CZ ' ' D' ' 267' ' ' TYR . 19.9 ptmt -80.74 -26.6 37.26 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.566 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -66.49 -37.64 85.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.351 0.596 . . . . 0.0 109.422 173.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -69.36 -38.3 78.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.712 173.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.33 74.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.687 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 270' ' ' ILE . . . . . 0.665 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 2.6 tt -63.06 -42.45 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.705 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 41.1 m -63.51 -38.64 91.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.612 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -58.86 -46.97 86.52 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.151 0.501 . . . . 0.0 110.002 174.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -57.68 -49.37 76.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.646 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 274' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 47.4 mt -65.33 -44.04 89.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.977 -177.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.0 -48.76 72.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.657 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -67.42 -44.54 78.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.014 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.22 96.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.387 -177.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 278' ' ' LEU . . . . . 0.474 ' HG ' ' SD ' ' A' ' 1' ' ' MET . 4.6 mm? -85.51 -19.66 30.84 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.973 -176.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -76.37 -27.73 56.5 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -44.23 -57.51 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.4 -1.273 . . . . 0.0 113.654 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 281' ' ' MET . . . . . 0.711 ' HG3' HG23 ' C' ' 284' ' ' ILE . 0.0 OUTLIER -81.26 -47.82 12.86 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.463 -172.123 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 282' ' ' THR . . . . . 0.689 ' H ' ' HG2' ' C' ' 281' ' ' MET . 7.3 m 71.8 -45.33 0.62 Allowed 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.847 -1.07 . . . . 0.0 112.449 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 39.8 m -119.09 71.61 0.86 Allowed 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 120.844 0.354 . . . . 0.0 111.604 -176.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 284' ' ' ILE . . . . . 0.711 HG23 ' HG3' ' C' ' 281' ' ' MET . 29.9 pt . . . . . 0 C--O 1.252 1.198 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.901 168.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 112.744 -0.142 . . . . 0.0 112.744 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.519 ' HB3' ' NZ ' ' A' ' 5' ' ' LYS . 51.7 tpp -92.04 75.71 5.49 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 117.333 0.567 . . . . 0.0 109.59 176.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 4.8 p-10 -78.94 -21.56 47.05 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.55 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.456 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -53.24 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.229 -176.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.611 HD12 ' HB ' ' B' ' 4' ' ' ILE . 0.6 OUTLIER -69.58 -36.48 71.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.625 -178.022 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.519 ' NZ ' ' HB3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -62.16 -45.34 93.85 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.349 -0.54 . . . . 0.0 112.08 -176.7 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 12.4 mptt -71.79 -34.95 69.83 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.545 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -63.76 -42.0 97.89 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.692 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.627 ' SD ' ' HE3' ' D' ' 281' ' ' MET . 19.0 ttp -55.71 -46.43 77.72 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 120.719 0.295 . . . . 0.0 110.99 177.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.4 ' O ' HD23 ' A' ' 13' ' ' LEU . 24.3 tt0 -58.72 -52.63 64.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.955 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.1 ttm -59.77 -40.32 87.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.235 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.405 HD12 ' C ' ' C' ' 284' ' ' ILE . 8.1 tt -59.6 -57.51 12.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.812 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 12' ' ' LYS . 13.4 mmmm -66.9 -36.21 81.75 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.179 -176.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 9' ' ' GLN . 3.8 mm? -60.54 -43.0 97.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.015 0.436 . . . . 0.0 109.862 173.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.755 ' HA ' ' ND1' ' A' ' 17' ' ' HIS . 28.1 t0 -65.57 -42.28 91.98 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.098 177.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -39.1 84.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.395 177.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -61.28 -39.24 89.68 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.755 ' ND1' ' HA ' ' A' ' 14' ' ' ASP . 7.1 m80 -62.89 -56.65 15.39 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -52.28 -48.6 65.23 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.378 -1.283 . . . . 0.0 111.197 -179.267 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -54.96 -54.48 42.3 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 122.923 0.489 . . . . 0.0 110.779 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.22 -33.77 76.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.855 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.74 -46.03 87.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.337 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.706 HG22 ' HB ' ' B' ' 22' ' ' VAL . 80.5 t -60.46 -43.53 94.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.49 -48.84 80.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.924 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -58.47 -47.34 84.38 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.873 HD11 HG11 ' B' ' 29' ' ' VAL . 19.3 tp -65.9 -42.35 90.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.149 -175.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -59.03 -41.27 87.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.893 0.378 . . . . 0.0 111.047 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -69.25 -44.96 70.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.056 0.455 . . . . 0.0 110.107 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.37 -49.0 78.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.78 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.68 HG11 HD11 ' B' ' 25' ' ' LEU . 11.5 p -64.08 -36.09 75.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.937 -177.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.25 -19.48 76.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.986 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -76.69 -23.42 53.17 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HB2' ' NH2' ' B' ' 32' ' ' ARG . 5.4 mpt_? . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.505 -0.759 . . . . 0.0 109.975 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.843 -0.503 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 249' ' ' CYS . . . . . 0.475 ' SG ' ' HA2' ' C' ' 248' ' ' GLY . 76.7 m 65.62 8.34 5.07 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.956 0.502 . . . . 0.0 111.782 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 104.41 -86.31 0.51 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.071 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -174.66 172.16 3.1 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 252' ' ' SER . . . . . 0.401 ' O ' ' HG ' ' D' ' 256' ' ' LEU . 25.1 m 58.66 29.87 19.15 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.791 0.682 . . . . 0.0 110.783 178.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 253' ' ' ILE . . . . . 0.48 ' HA ' HD12 ' D' ' 256' ' ' LEU . 10.1 tp -65.09 -26.82 40.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.624 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.76 -40.76 84.03 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.185 0.517 . . . . 0.0 110.183 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.18 -34.98 73.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.812 175.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 256' ' ' LEU . . . . . 0.502 ' O ' ' HB2' ' D' ' 260' ' ' LEU . 71.9 mt -60.31 -43.38 96.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.599 176.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 257' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' D' ' 253' ' ' ILE . 47.0 mt-10 -59.59 -46.17 89.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.955 0.407 . . . . 0.0 110.301 175.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -57.17 -56.01 27.33 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.095 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 259' ' ' GLU . . . . . 0.751 ' O ' ' HG2' ' D' ' 263' ' ' GLN . 7.1 pt-20 -67.2 -31.41 71.78 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.743 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 260' ' ' LEU . . . . . 0.549 HD12 ' HB2' ' C' ' 260' ' ' LEU . 8.5 tt -55.55 -55.48 31.41 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.038 0.447 . . . . 0.0 110.412 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 261' ' ' TYR . . . . . 0.458 ' O ' ' HG ' ' D' ' 265' ' ' LEU . 54.7 m-85 -55.66 -46.23 77.57 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.693 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -57.98 -42.1 84.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.377 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 263' ' ' GLN . . . . . 0.751 ' HG2' ' O ' ' D' ' 259' ' ' GLU . 28.5 mm-40 -49.13 -62.32 1.59 Allowed 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.222 0.326 . . . . 0.0 111.206 178.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 264' ' ' LYS . . . . . 0.46 ' HE2' HD23 ' D' ' 260' ' ' LEU . 0.1 OUTLIER -77.38 -20.81 54.17 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 119.666 -0.814 . . . . 0.0 111.701 -174.383 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 265' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' D' ' 261' ' ' TYR . 50.0 mt -66.82 -46.23 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.099 173.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 266' ' ' LYS . . . . . 0.474 ' HE2' ' HA ' ' D' ' 266' ' ' LYS . 11.1 mmpt? -69.09 -35.94 77.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.054 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 267' ' ' TYR . . . . . 0.444 ' CZ ' ' HE2' ' C' ' 266' ' ' LYS . 72.0 t80 -60.93 -46.09 92.07 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.168 0.509 . . . . 0.0 110.339 177.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.77 -45.19 93.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.25 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.76 97.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.112 -177.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 270' ' ' ILE . . . . . 0.653 ' O ' ' HG ' ' D' ' 274' ' ' LEU . 14.0 tt -69.37 -38.42 77.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.04 -177.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 46.6 t -66.07 -38.02 87.27 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.45 -42.24 98.45 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.94 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 273' ' ' GLU . . . . . 0.554 ' HG3' ' N ' ' D' ' 274' ' ' LEU . 0.0 OUTLIER -68.36 -37.49 80.5 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.6 -179.371 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 274' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' D' ' 270' ' ' ILE . 77.5 mt -54.53 -49.94 69.04 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.409 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 275' ' ' ASP . . . . . 0.483 ' O ' ' HD3' ' D' ' 279' ' ' LYS . 20.4 t70 -70.37 -50.04 42.92 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.398 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -55.48 -52.24 64.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.356 -177.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 277' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' D' ' 281' ' ' MET . . . -70.48 -45.97 64.66 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -173.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 278' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' D' ' 278' ' ' LEU . 4.6 mm? -67.57 -23.54 65.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.022 0.439 . . . . 0.0 110.646 -178.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 279' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' D' ' 275' ' ' ASP . 1.6 mptm? -85.67 -24.22 27.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.882 174.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -63.81 -51.1 66.27 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 121.827 0.822 . . . . 0.0 109.567 171.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 281' ' ' MET . . . . . 0.627 ' HE3' ' SD ' ' A' ' 8' ' ' MET . 12.9 ptm -86.09 47.87 1.52 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.242 -1.344 . . . . 0.0 111.708 -172.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 282' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.93 31.18 0.05 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.131 0.491 . . . . 0.0 111.383 174.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 283' ' ' SER . . . . . 0.505 ' H ' ' C ' ' D' ' 281' ' ' MET . 7.1 p -130.25 10.94 5.39 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.687 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 284' ' ' ILE . . . . . 0.868 HG13 HD22 ' B' ' 11' ' ' LEU . 5.5 tt . . . . . 0 C--O 1.242 0.707 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 171.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.42 ' SD ' HD22 ' C' ' 274' ' ' LEU . 63.5 mtp -124.94 91.59 3.47 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -62.23 -31.7 72.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.019 -174.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -44.95 -68.97 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.921 0.763 . . . . 0.0 111.476 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.611 ' HB ' HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -58.86 -33.51 49.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.928 -178.408 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -70.35 -52.76 20.27 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -171.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 36.5 tttp -73.46 -30.87 63.45 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.139 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.741 ' HE3' HG23 ' D' ' 284' ' ' ILE . 26.6 mtpp -68.02 -39.01 83.22 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 174.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.528 ' SD ' ' HE3' ' C' ' 281' ' ' MET . 1.4 ttt -55.73 -45.79 77.91 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.587 172.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -56.38 -50.1 72.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.464 -176.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 36.2 ttm -69.67 -35.13 74.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.537 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.868 HD22 HG13 ' D' ' 284' ' ' ILE . 61.1 tp -61.97 -50.7 71.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.188 176.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.848 ' HE2' ' HA ' ' B' ' 12' ' ' LYS . 10.0 mmpt? -66.53 -37.24 84.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.778 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.88 -39.67 86.09 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.06 0.457 . . . . 0.0 110.086 173.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.782 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 20.5 t70 -65.6 -45.84 81.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.318 176.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.94 -44.15 97.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.95 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -70.17 -35.66 74.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.782 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 8.2 p80 -70.26 -29.83 66.72 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.774 178.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 53.8 tp -73.06 -40.69 64.86 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.886 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.36 -42.76 99.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.08 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -61.41 -41.44 97.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.036 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -55.52 -55.41 32.23 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.978 176.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.706 ' HB ' HG22 ' A' ' 22' ' ' VAL . 11.5 p -71.11 -29.13 35.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.186 -176.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.97 -48.46 73.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.719 0.295 . . . . 0.0 110.754 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -65.76 -37.14 85.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.038 0.447 . . . . 0.0 110.557 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.68 HD11 HG11 ' A' ' 29' ' ' VAL . 21.3 tp -67.4 -43.76 80.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.31 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.443 ' HA ' HG12 ' B' ' 29' ' ' VAL . 85.7 mttt -63.38 -29.22 70.56 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.095 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -69.47 -46.37 66.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.213 0.53 . . . . 0.0 109.853 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -66.06 -52.71 46.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.073 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.873 HG11 HD11 ' A' ' 25' ' ' LEU . 7.3 p -73.58 -24.04 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.001 0.429 . . . . 0.0 110.641 -178.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.67 -24.8 71.52 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.027 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.79 -37.54 79.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.07 0.462 . . . . 0.0 109.921 174.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.524 ' NH2' ' HB2' ' A' ' 32' ' ' ARG . 4.4 ptm180 . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.695 178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.366 -0.294 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 249' ' ' CYS . . . . . 0.729 ' HA ' HG13 ' C' ' 253' ' ' ILE . 5.1 p -155.61 150.85 26.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.644 0.259 . . . . 0.0 110.963 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . 159.05 -135.81 4.38 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.679 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -103.43 -25.52 13.23 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 25.3 p -69.23 -13.39 62.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.634 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 253' ' ' ILE . . . . . 0.729 HG13 ' HA ' ' C' ' 249' ' ' CYS . 13.0 mm -72.86 -29.89 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.376 175.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.54 -48.47 81.64 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 171.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.78 -38.21 87.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.97 177.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 256' ' ' LEU . . . . . 0.749 HD12 HD22 ' D' ' 260' ' ' LEU . 37.8 tp -49.73 -56.21 11.04 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.458 177.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 257' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.49 -49.67 72.66 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.177 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.49 -53.15 60.87 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.632 0.729 . . . . 0.0 110.66 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 259' ' ' GLU . . . . . 0.538 ' HG3' HD11 ' D' ' 260' ' ' LEU . 3.6 tp10 -65.96 -39.21 90.23 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.31 -177.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 260' ' ' LEU . . . . . 0.458 ' CD2' ' HG ' ' D' ' 256' ' ' LEU . 48.4 tp -59.24 -48.73 80.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.482 0.182 . . . . 0.0 110.79 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -62.4 -45.36 93.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.652 0.263 . . . . 0.0 110.512 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -62.14 -50.52 71.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.623 -178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 263' ' ' GLN . . . . . 0.406 ' HG3' ' HE2' ' D' ' 264' ' ' LYS . 81.7 mm-40 -69.64 -38.04 77.0 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -66.46 -35.36 80.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.842 0.353 . . . . 0.0 110.407 -178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.51 -43.87 88.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.301 174.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 266' ' ' LYS . . . . . 0.469 ' O ' HG22 ' C' ' 270' ' ' ILE . 63.6 mttp -62.99 -39.81 95.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.69 177.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.56 -45.08 89.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.607 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -71.49 -38.67 71.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.321 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -56.28 -52.22 65.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.56 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 270' ' ' ILE . . . . . 0.496 ' O ' HD13 ' C' ' 274' ' ' LEU . 2.9 tt -66.94 -43.49 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.051 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 56.8 m -61.24 -45.3 95.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.674 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -55.06 -44.99 75.28 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 273' ' ' GLU . . . . . 0.454 ' HG3' ' HA2' ' B' ' 0' ' ' GLY . 13.7 tp10 -66.84 -37.2 84.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.569 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 274' ' ' LEU . . . . . 0.522 ' HG ' ' HE1' ' A' ' 1' ' ' MET . 0.5 OUTLIER -65.97 -48.5 71.04 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 176.114 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 275' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' C' ' 279' ' ' LYS . 76.2 m-20 -52.81 -51.15 61.92 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -52.7 -58.13 7.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.016 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 277' ' ' ALA . . . . . 0.498 ' HB2' ' HA3' ' B' ' 0' ' ' GLY . . . -58.04 -37.93 75.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.246 -174.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 278' ' ' LEU . . . . . 0.571 ' CD1' ' HB ' ' A' ' 4' ' ' ILE . 3.5 mm? -81.38 -22.68 38.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -177.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 279' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' C' ' 275' ' ' ASP . 29.7 mtpp -84.7 -19.5 32.68 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.727 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -61.94 -30.63 71.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.591 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 281' ' ' MET . . . . . 0.502 ' SD ' ' HA ' ' C' ' 278' ' ' LEU . 0.8 OUTLIER -67.41 -78.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -174.239 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 69.2 p 63.33 -26.47 0.07 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.852 1.261 . . . . 0.0 113.143 -176.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 283' ' ' SER . . . . . 0.474 ' H ' ' C ' ' C' ' 281' ' ' MET . 31.9 m -77.39 -8.85 58.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.626 0.726 . . . . 0.0 109.055 170.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 284' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' C' ' 281' ' ' MET . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.151 0 CA-C-N 113.941 -1.482 . . . . 0.0 107.211 170.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.967 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.522 ' HE1' ' HG ' ' C' ' 274' ' ' LEU . 72.8 mmm -71.47 88.84 0.92 Allowed 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 171.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -53.61 -38.6 64.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.532 -170.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -45.41 -62.1 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.596 0.56 . . . . 0.0 111.717 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' C' ' 278' ' ' LEU . 0.5 OUTLIER -71.51 -34.78 54.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.069 -177.326 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.697 ' HE2' ' SD ' ' D' ' 281' ' ' MET . 20.5 mmtp -76.59 -32.76 58.32 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.288 -174.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -66.94 -43.72 82.46 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -60.49 -50.67 72.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.33 173.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.8 ttp -54.72 -39.8 68.58 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.743 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.512 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 35.0 tt0 -58.82 -57.15 14.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.431 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 62.8 mtt -63.92 -33.39 75.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.789 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.915 HD21 HD21 ' B' ' 11' ' ' LEU . 32.6 tp -59.04 -55.04 40.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.068 177.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -63.67 -35.46 80.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.055 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 9' ' ' GLN . 92.5 mt -63.67 -42.69 98.02 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.893 0.378 . . . . 0.0 110.268 176.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.717 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 22.2 t70 -66.81 -46.16 76.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.471 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -41.64 91.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.674 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -67.27 -44.04 80.35 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.399 -175.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.717 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 16.2 p80 -69.42 -31.38 69.69 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.241 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.0 tp -70.91 -42.92 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.059 0.457 . . . . 0.0 110.16 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.66 -33.74 76.6 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.351 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -72.78 -40.88 65.59 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -60.75 -51.08 70.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.852 176.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.773 ' HB ' HG22 ' B' ' 22' ' ' VAL . 15.0 p -64.69 -40.82 90.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.576 -175.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.82 81.74 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.321 0.581 . . . . 0.0 110.316 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -66.23 -43.86 85.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.444 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 tp -68.82 -41.39 78.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.731 -176.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.687 ' HA ' HG12 ' A' ' 29' ' ' VAL . 16.9 ptpt -71.91 -24.51 61.65 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.703 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 4.5 ttmp? -69.03 -43.46 74.68 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 171.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 tp -59.6 -48.88 79.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.273 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 26' ' ' LYS . 10.1 p -71.84 -19.76 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 110.58 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.98 -19.88 74.26 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.863 174.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -71.82 -19.14 62.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 119.067 -0.492 . . . . 0.0 110.978 -179.112 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.833 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 249' ' ' CYS . . . . . 0.616 ' HB3' HG13 ' D' ' 253' ' ' ILE . 35.1 t -110.2 90.86 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 78.74 -86.74 1.15 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.822 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -170.25 156.55 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 40.0 m 76.79 -29.75 0.17 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.497 0.719 . . . . 0.0 112.039 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 253' ' ' ILE . . . . . 0.616 HG13 ' HB3' ' D' ' 249' ' ' CYS . 13.0 mm -56.03 -41.48 68.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -69.93 -31.53 69.33 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.862 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.73 -48.55 68.81 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 256' ' ' LEU . . . . . 0.494 ' HA ' ' HG2' ' D' ' 259' ' ' GLU . 10.1 mp -60.28 -41.22 92.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.117 177.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 257' ' ' GLU . . . . . 0.479 ' HA ' ' CD1' ' C' ' 256' ' ' LEU . 33.9 tt0 -61.94 -50.52 71.83 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.57 178.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.47 -46.79 80.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.957 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 259' ' ' GLU . . . . . 0.635 ' O ' ' HG2' ' D' ' 263' ' ' GLN . 2.5 pt-20 -75.18 -25.36 58.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -175.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 260' ' ' LEU . . . . . 0.749 HD22 HD12 ' C' ' 256' ' ' LEU . 61.3 tp -61.48 -49.36 77.09 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.011 0.434 . . . . 0.0 109.94 176.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 261' ' ' TYR . . . . . 0.585 ' O ' ' HG ' ' D' ' 265' ' ' LEU . 66.8 m-85 -63.43 -34.69 78.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.11 176.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.54 88.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.928 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 263' ' ' GLN . . . . . 0.635 ' HG2' ' O ' ' D' ' 259' ' ' GLU . 79.6 mm-40 -51.38 -52.18 48.07 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.667 175.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 264' ' ' LYS . . . . . 0.406 ' HE2' ' HG3' ' C' ' 263' ' ' GLN . 2.0 mptm? -58.97 -45.75 89.77 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.276 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 265' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' D' ' 261' ' ' TYR . 78.3 mt -59.75 -47.07 87.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.988 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 266' ' ' LYS . . . . . 0.851 ' HE2' ' HA ' ' D' ' 266' ' ' LYS . 10.4 mmpt? -72.52 -37.93 68.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.339 -178.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -59.9 -44.86 94.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.779 0.323 . . . . 0.0 110.372 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -66.88 -44.93 79.6 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -57.5 -49.52 76.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.521 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 270' ' ' ILE . . . . . 0.547 ' O ' HD13 ' D' ' 270' ' ' ILE . 0.0 OUTLIER -68.69 -36.6 75.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 120.559 0.219 . . . . 0.0 110.517 -177.462 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 60.5 m -65.06 -45.07 86.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.989 0.423 . . . . 0.0 110.368 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.4 -36.38 83.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.384 0.611 . . . . 0.0 109.749 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.18 -55.81 21.97 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.073 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 274' ' ' LEU . . . . . 0.554 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 4.6 pp -63.68 -31.5 72.69 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.04 -176.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 275' ' ' ASP . . . . . 0.48 ' N ' HD12 ' D' ' 274' ' ' LEU . 12.4 t70 -61.63 -55.0 35.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.149 174.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -67.28 -40.44 86.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 -177.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -64.46 -47.35 79.35 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -175.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 278' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.1 -25.66 39.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.726 0.298 . . . . 0.0 111.358 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -85.29 -19.6 31.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.263 0.554 . . . . 0.0 110.194 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -38.47 88.73 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 122.093 0.949 . . . . 0.0 110.61 174.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 281' ' ' MET . . . . . 0.697 ' SD ' ' HE2' ' A' ' 5' ' ' LYS . 5.9 ptm -100.76 44.38 1.02 Allowed 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.169 -1.378 . . . . 0.0 112.246 -165.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 282' ' ' THR . . . . . . . . . . . . . 25.2 p -69.83 31.32 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.818 173.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 283' ' ' SER . . . . . 0.488 ' H ' ' C ' ' D' ' 281' ' ' MET . 50.9 m -145.11 17.52 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.751 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 284' ' ' ILE . . . . . 0.528 ' OXT' ' HB3' ' B' ' 7' ' ' LYS . 11.7 tt . . . . . 0 C--O 1.242 0.675 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 0' ' ' GLY . . . . . 0.498 ' HA3' ' HB2' ' C' ' 277' ' ' ALA . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.554 ' SD ' ' HB2' ' D' ' 274' ' ' LEU . 76.0 mtm -88.95 96.68 10.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.149 0.499 . . . . 0.0 109.924 177.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.653 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 4.4 p-10 -65.92 -18.49 65.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.483 -174.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.12 -63.75 0.91 Allowed 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.381 0.426 . . . . 0.0 111.923 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.534 HG13 ' CD1' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -74.62 -28.36 21.96 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.351 179.246 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.653 ' HB2' ' HA ' ' B' ' 2' ' ' ASP . 0.2 OUTLIER -57.77 -49.3 77.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.893 0.378 . . . . 0.0 110.795 178.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -65.83 -49.17 69.17 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.977 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.528 ' HB3' ' OXT' ' D' ' 284' ' ' ILE . 31.5 mtmm -65.07 -37.39 87.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.205 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.1 ttt -57.13 -41.51 79.22 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 122.495 0.318 . . . . 0.0 110.869 174.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 51.2 tt0 -60.23 -49.46 77.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.0 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 65.2 mtt -64.32 -43.31 95.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.318 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.915 HD21 HD21 ' A' ' 11' ' ' LEU . 21.0 tp -53.93 -58.28 7.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.822 177.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.461 ' HE2' ' HB3' ' C' ' 283' ' ' SER . 0.8 OUTLIER -66.82 -30.43 70.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.167 -175.146 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 78.1 mt -69.96 -36.55 75.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.891 0.377 . . . . 0.0 110.443 175.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.636 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 27.9 t70 -67.34 -43.3 81.89 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 175.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.63 -36.85 84.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.585 177.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -63.24 -47.86 80.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.913 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.636 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 14.6 p80 -76.06 -21.3 56.93 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.026 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' B' ' 21' ' ' GLU . 7.5 tp -75.34 -37.77 60.52 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -55.97 -46.93 78.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.681 172.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -63.91 -39.95 95.36 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.208 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.556 ' HG3' HG21 ' A' ' 22' ' ' VAL . 6.2 tp10 -53.03 -52.75 57.46 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.469 174.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.773 HG22 ' HB ' ' A' ' 22' ' ' VAL . 47.2 t -65.52 -45.0 93.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.672 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.88 74.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.617 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -61.67 -42.48 98.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.042 0.449 . . . . 0.0 111.095 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.45 HD21 ' N ' ' A' ' 26' ' ' LYS . 64.6 tp -64.5 -52.86 55.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.216 -177.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.453 ' HD2' HG12 ' B' ' 22' ' ' VAL . 11.4 ptmm? -69.16 -24.72 64.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.071 0.462 . . . . 0.0 109.995 -177.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' B' ' 27' ' ' LYS . 35.7 ttmt -65.67 -46.05 80.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.849 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 46.4 tp -64.48 -44.96 89.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.404 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 63.0 t -68.54 -41.66 83.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.402 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.22 -25.2 75.08 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.899 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -70.87 -19.54 62.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.358 . . . . 0.0 111.187 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.481 -0.771 . . . . 0.0 111.149 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 249' ' ' CYS . . . . . 0.723 ' HA ' HG13 ' C' ' 253' ' ' ILE . 76.5 m 65.73 -168.61 0.21 Allowed 'General case' 0 C--O 1.232 0.182 0 C-N-CA 122.607 0.363 . . . . 0.0 110.7 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . 90.61 -44.99 2.9 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.094 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 251' ' ' LYS . . . . . 0.506 ' O ' ' HD3' ' C' ' 251' ' ' LYS . 0.0 OUTLIER -73.78 79.0 1.57 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.539 0.685 . . . . 0.0 111.896 -178.822 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 68.4 m 61.43 19.19 10.04 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.036 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 253' ' ' ILE . . . . . 0.723 HG13 ' HA ' ' C' ' 249' ' ' CYS . 34.4 mm -68.05 -39.7 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.01 0.433 . . . . 0.0 109.901 176.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.88 -48.51 79.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.602 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.15 -53.27 45.02 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.749 174.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 256' ' ' LEU . . . . . 0.439 ' O ' HD11 ' D' ' 260' ' ' LEU . 5.7 mp -57.97 -56.15 25.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.848 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 257' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -63.89 -37.61 88.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.736 0.303 . . . . 0.0 111.104 -174.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.61 -54.46 46.84 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.938 0.875 . . . . 0.0 109.672 175.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 259' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' C' ' 263' ' ' GLN . 3.6 tp10 -59.16 -38.26 79.32 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 113.893 -1.503 . . . . 0.0 110.344 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 260' ' ' LEU . . . . . 0.485 ' HA ' ' HG2' ' C' ' 263' ' ' GLN . 21.9 tp -54.16 -48.84 70.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.425 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -61.5 -43.99 97.88 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.903 0.382 . . . . 0.0 110.66 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -65.47 -48.18 73.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.229 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 263' ' ' GLN . . . . . 0.504 ' HA ' ' HG2' ' C' ' 266' ' ' LYS . 3.9 pt20 -69.07 -36.58 77.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.558 -176.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -66.88 -35.9 81.08 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.047 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.76 -46.14 76.29 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.64 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 266' ' ' LYS . . . . . 0.504 ' HG2' ' HA ' ' C' ' 263' ' ' GLN . 17.4 ptpt -73.56 -31.83 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.186 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -66.72 -37.56 84.93 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.957 0.408 . . . . 0.0 110.038 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 268' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' C' ' 272' ' ' GLU . 54.5 tttm -67.51 -44.47 78.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.052 173.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.06 91.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.757 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 270' ' ' ILE . . . . . 0.607 HD11 HD11 ' D' ' 274' ' ' LEU . 12.7 tt -75.36 -34.93 31.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 25.7 p -71.75 -39.03 70.3 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.753 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 272' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' C' ' 268' ' ' LYS . 12.4 pt-20 -74.73 -26.73 60.0 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 273' ' ' GLU . . . . . 0.451 ' HB3' ' O ' ' C' ' 270' ' ' ILE . 9.0 tp10 -57.7 -50.38 73.41 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 172.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 274' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 73.7 mt -59.91 -46.22 90.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.748 176.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.11 -55.62 32.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.029 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -65.41 -28.61 69.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 277' ' ' ALA . . . . . 0.489 ' HB2' ' HA2' ' B' ' 0' ' ' GLY . . . -65.15 -44.47 88.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.529 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 278' ' ' LEU . . . . . 0.431 ' HG ' ' HB3' ' A' ' 3' ' ' ALA . 4.3 mm? -86.01 -26.73 25.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.426 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -75.87 -20.75 57.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.615 0.245 . . . . 0.0 110.726 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -47.78 -56.42 7.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.585 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 281' ' ' MET . . . . . 0.414 ' HG2' ' SD ' ' B' ' 8' ' ' MET . 0.0 OUTLIER -103.87 -53.23 2.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.688 -175.286 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 4.6 t 46.05 23.63 0.2 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.023 0.929 . . . . 0.0 111.688 -175.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 14.7 m -121.6 63.76 0.9 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 284' ' ' ILE . . . . . 0.561 HG23 ' HE2' ' A' ' 7' ' ' LYS . 4.1 tt . . . . . 0 C--O 1.248 0.983 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.15 -175.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' GLY . . . . . 0.403 ' O ' ' HD3' ' A' ' 5' ' ' LYS . . . . . . . . 0 N--CA 1.485 1.964 0 CA-C-O 119.984 -0.342 . . . . 0.0 112.611 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.485 ' HB3' HG22 ' A' ' 4' ' ' ILE . 3.3 mpp? 54.38 88.4 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.869 0.868 . . . . 0.0 112.53 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -68.59 -23.82 64.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.117 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.431 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -56.02 -63.44 1.18 Allowed 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.334 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.591 HD12 ' HB ' ' B' ' 4' ' ' ILE . 0.7 OUTLIER -69.11 -41.12 81.35 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.525 -177.729 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.595 ' HE2' ' SD ' ' D' ' 281' ' ' MET . 0.7 OUTLIER -66.72 -40.37 88.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -174.701 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -61.96 -51.63 67.31 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.25 0.547 . . . . 0.0 110.162 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.561 ' HE2' HG23 ' C' ' 284' ' ' ILE . 37.0 mtmm -75.01 -22.6 58.4 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.248 -177.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.469 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 35.6 ttp -60.87 -48.63 80.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 0.0 110.491 173.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.404 ' O ' HD23 ' A' ' 13' ' ' LEU . 30.0 tt0 -61.61 -43.46 98.81 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.6 ttp -57.8 -49.62 76.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.218 174.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.25 -55.66 30.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.685 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 8' ' ' MET . 14.1 mmmm -63.45 -36.03 82.4 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.131 -0.227 . . . . 0.0 110.792 -175.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 9' ' ' GLN . 3.2 mm? -62.42 -38.02 88.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.055 0.455 . . . . 0.0 110.299 175.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.758 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 35.7 t70 -65.87 -41.4 91.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.919 175.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -63.56 -46.18 87.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.426 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -58.66 -47.93 82.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.854 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.758 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 3.7 p80 -70.2 -19.83 63.14 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.295 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.8 tp -78.09 -44.65 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 175.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.14 -49.33 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.369 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -66.54 -37.94 86.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.107 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.647 ' HB2' ' O ' ' A' ' 17' ' ' HIS . 22.6 tt0 -63.96 -47.64 79.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.779 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.56 ' HB ' HG22 ' B' ' 22' ' ' VAL . 12.9 p -66.59 -33.28 62.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.74 0.305 . . . . 0.0 110.563 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.72 -46.65 74.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.118 0.485 . . . . 0.0 110.482 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -70.47 -29.94 66.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.93 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 tp -66.57 -45.84 77.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.691 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HB3' HD21 ' B' ' 25' ' ' LEU . 17.1 ptpt -72.9 -21.49 60.9 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.781 0.324 . . . . 0.0 110.506 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 62.9 tttp -74.1 -37.81 64.03 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 172.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.6 -47.34 81.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.323 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.762 ' HB ' HG22 ' B' ' 29' ' ' VAL . 14.9 p -73.5 -35.94 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.711 0.291 . . . . 0.0 110.646 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.88 -19.42 79.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.344 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.556 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 5.1 tp10 -69.67 -19.46 63.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 110.348 179.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.211 -177.875 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 112.67 -0.172 . . . . 0.0 112.67 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 249' ' ' CYS . . . . . . . . . . . . . 52.0 t -153.61 -31.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.203 0.525 . . . . 0.0 110.696 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 164.14 -58.51 0.27 Allowed Glycine 0 N--CA 1.441 -0.975 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -177.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -153.82 162.41 41.25 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 22.2 t 76.09 -67.52 0.23 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.508 0.723 . . . . 0.0 110.126 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 253' ' ' ILE . . . . . 0.5 ' O ' ' HG3' ' D' ' 257' ' ' GLU . 14.2 mm -64.67 -42.09 94.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.769 0.318 . . . . 0.0 110.573 178.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.46 -44.03 95.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.279 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -54.76 -44.36 73.58 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.751 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 256' ' ' LEU . . . . . 0.444 ' HA ' HD13 ' D' ' 256' ' ' LEU . 1.8 mm? -66.97 -40.79 87.52 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.007 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 257' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' D' ' 253' ' ' ILE . 59.9 mt-10 -54.84 -51.66 65.2 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.132 0.492 . . . . 0.0 111.056 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -59.8 -49.81 76.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.684 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 259' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' D' ' 263' ' ' GLN . 11.6 tp10 -76.65 -30.99 57.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.724 -173.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 260' ' ' LEU . . . . . 0.439 HD11 ' O ' ' C' ' 256' ' ' LEU . 6.8 tt -65.19 -42.65 93.39 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 261' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -63.05 -39.51 94.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.692 174.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -63.83 -47.9 78.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.812 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 263' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' D' ' 259' ' ' GLU . 35.8 mm-40 -55.69 -47.56 76.58 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.91 0.386 . . . . 0.0 110.895 175.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -63.58 -39.29 94.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.618 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 27.8 tp -68.39 -34.93 76.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.197 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 266' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.64 -30.3 62.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.771 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 267' ' ' TYR . . . . . 0.47 ' HA ' HG22 ' D' ' 270' ' ' ILE . 89.3 t80 -66.45 -40.61 89.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.129 0.49 . . . . 0.0 109.891 175.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -64.1 -46.66 83.26 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.21 96.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.599 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 270' ' ' ILE . . . . . 0.714 ' O ' ' HG ' ' D' ' 274' ' ' LEU . 12.4 tt -68.51 -40.28 81.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 121.332 -0.147 . . . . 0.0 111.277 -176.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 27.2 t -62.68 -48.04 81.02 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -56.78 -44.37 81.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.709 173.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.58 -53.33 57.78 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.263 -176.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 274' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' D' ' 270' ' ' ILE . 16.8 mt -55.97 -52.19 65.06 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.992 0.425 . . . . 0.0 110.758 -177.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 275' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' D' ' 279' ' ' LYS . 14.5 t70 -62.66 -51.54 66.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.685 -176.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -71.87 -34.51 69.26 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.323 -175.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 277' ' ' ALA . . . . . 0.552 ' HA ' ' OD2' ' D' ' 280' ' ' ASP . . . -60.75 -48.02 83.68 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.013 0.435 . . . . 0.0 111.157 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 278' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' D' ' 278' ' ' LEU . 4.1 mm? -75.7 -19.56 59.02 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.17 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 279' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' D' ' 275' ' ' ASP . 1.9 tppp? -77.99 -32.7 51.36 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 176.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 280' ' ' ASP . . . . . 0.552 ' OD2' ' HA ' ' D' ' 277' ' ' ALA . 71.6 m-20 -51.37 -57.89 7.71 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.816 0.817 . . . . 0.0 110.865 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 281' ' ' MET . . . . . 0.669 ' HG3' ' H ' ' D' ' 282' ' ' THR . 9.6 ptm -70.05 -75.47 0.12 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.944 -1.48 . . . . 0.0 112.784 -171.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 282' ' ' THR . . . . . 0.669 ' H ' ' HG3' ' D' ' 281' ' ' MET . 16.5 p 47.1 23.1 0.26 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.201 0.6 . . . . 0.0 112.142 -171.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 38.1 t -131.21 71.81 1.48 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.586 0.708 . . . . 0.0 109.577 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 284' ' ' ILE . . . . . 0.581 HG23 ' HB3' ' B' ' 7' ' ' LYS . 6.6 tt . . . . . 0 C--O 1.246 0.909 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.398 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 0' ' ' GLY . . . . . 0.489 ' HA2' ' HB2' ' C' ' 277' ' ' ALA . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.569 ' H ' ' HD3' ' B' ' 5' ' ' LYS . 94.3 mmm -119.56 108.76 14.9 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -41.71 -54.44 3.3 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.131 0.972 . . . . 0.0 113.293 -172.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.55 -61.88 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -173.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.591 ' HB ' HD12 ' A' ' 4' ' ' ILE . 0.8 OUTLIER -68.69 -37.72 77.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.511 -176.267 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.569 ' HD3' ' H ' ' B' ' 1' ' ' MET . 0.2 OUTLIER -56.91 -56.91 15.63 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.072 0.463 . . . . 0.0 111.227 -178.164 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -65.53 -45.89 81.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.473 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.581 ' HB3' HG23 ' D' ' 284' ' ' ILE . 21.0 mtmm -69.09 -34.31 74.91 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.414 ' SD ' ' HG2' ' C' ' 281' ' ' MET . 16.7 ttt -59.86 -44.14 94.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.5 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -64.34 -42.2 96.37 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.293 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 66.8 mtt -61.72 -46.71 88.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.952 0.406 . . . . 0.0 109.996 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 tp -51.43 -59.08 4.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.747 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -62.13 -41.05 97.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.979 -173.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.69 -39.26 77.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.992 0.425 . . . . 0.0 110.868 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.774 ' HA ' ' CE1' ' B' ' 17' ' ' HIS . 30.0 t0 -67.41 -44.3 79.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.943 0.402 . . . . 0.0 110.228 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ASN . . . . . 0.429 HD22 ' N ' ' B' ' 15' ' ' ASN . 0.9 OUTLIER -64.72 -23.94 67.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.264 176.33 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.07 -41.71 85.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.757 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.774 ' CE1' ' HA ' ' B' ' 14' ' ' ASP . 4.6 m80 -62.85 -48.67 78.05 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 174.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.496 ' O ' HG23 ' B' ' 22' ' ' VAL . 9.2 mp -49.5 -59.4 3.78 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.874 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -69.1 -26.02 64.71 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.108 -177.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.414 ' HB3' ' O ' ' B' ' 17' ' ' HIS . 9.3 t30 -55.51 -43.57 75.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 175.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.73 -43.8 71.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.26 176.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.56 HG22 ' HB ' ' A' ' 22' ' ' VAL . 46.2 t -56.28 -46.3 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.029 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.43 89.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.367 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.6 mtp85 -71.44 -29.5 64.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.869 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.554 ' O ' HG23 ' B' ' 29' ' ' VAL . 46.9 tp -73.61 -48.35 33.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.673 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -61.24 -32.99 72.79 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.973 0.416 . . . . 0.0 109.952 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -69.16 -42.4 75.97 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.166 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 tp -63.6 -41.61 98.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.955 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.762 HG22 ' HB ' ' A' ' 29' ' ' VAL . 50.5 t -65.1 -46.69 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.699 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.41 -19.86 79.75 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.527 -178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -62.11 -44.09 97.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.157 0.503 . . . . 0.0 110.541 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.03 -175.618 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 112.087 -0.405 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 249' ' ' CYS . . . . . . . . . . . . . 25.8 p -165.62 -177.24 4.28 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . -85.25 34.44 3.26 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.092 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp 72.44 -67.18 0.27 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.86 0.864 . . . . 0.0 110.596 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 16.0 m -76.26 79.51 3.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.127 0.489 . . . . 0.0 109.864 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 253' ' ' ILE . . . . . 0.592 HD11 HD12 ' D' ' 253' ' ' ILE . 10.8 tp -84.99 -27.61 6.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.149 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 254' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' C' ' 257' ' ' GLU . 17.7 m-20 -68.16 -38.88 82.56 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -74.03 -19.78 60.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.095 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 256' ' ' LEU . . . . . 0.435 ' HG ' HD22 ' D' ' 260' ' ' LEU . 7.8 tp -75.96 -42.47 48.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.95 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 257' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' C' ' 254' ' ' ASP . 1.9 pt-20 -68.55 -31.36 70.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.403 174.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -57.83 -53.67 55.58 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 171.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 259' ' ' GLU . . . . . 0.434 ' HG2' HD11 ' D' ' 260' ' ' LEU . 3.8 tp10 -56.01 -42.91 77.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.171 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 260' ' ' LEU . . . . . 0.728 HD22 ' HG ' ' D' ' 256' ' ' LEU . 58.3 tp -56.1 -55.09 37.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.892 0.377 . . . . 0.0 111.261 -178.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -70.25 -35.18 73.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.083 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 262' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' C' ' 265' ' ' LEU . . . -60.71 -54.02 50.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.6 178.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 263' ' ' GLN . . . . . 0.516 ' HA ' ' OE1' ' C' ' 263' ' ' GLN . 11.6 mm-40 -66.48 -24.35 66.4 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -178.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -71.66 -46.46 58.9 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.154 174.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 265' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' C' ' 262' ' ' ALA . 4.5 pp -72.63 -31.29 65.03 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.254 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 266' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -69.34 -40.15 77.73 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.595 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -64.65 -44.04 91.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.795 0.331 . . . . 0.0 110.11 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -60.77 -50.81 71.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.423 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.9 94.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.499 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 270' ' ' ILE . . . . . 0.494 HD13 ' O ' ' C' ' 270' ' ' ILE . 0.2 OUTLIER -72.93 -33.86 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-O 120.728 0.299 . . . . 0.0 110.329 -177.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 271' ' ' SER . . . . . 0.558 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 58.7 m -68.96 -47.91 64.47 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.921 0.391 . . . . 0.0 110.464 177.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -72.99 -19.31 61.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.981 0.42 . . . . 0.0 110.166 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -64.67 -58.27 6.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.206 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 274' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' C' ' 271' ' ' SER . 4.6 pp -61.04 -30.3 70.23 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.516 -178.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -57.7 -62.22 1.95 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.371 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -67.84 -32.43 72.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.244 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 277' ' ' ALA . . . . . 0.512 ' HB1' ' HD3' ' B' ' 5' ' ' LYS . . . -64.44 -46.79 81.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.9 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 278' ' ' LEU . . . . . 0.641 HD13 ' HB3' ' A' ' 3' ' ' ALA . 23.2 mt -86.45 -24.54 25.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.401 -176.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -79.95 -19.85 47.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.931 0.396 . . . . 0.0 110.428 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -55.99 -40.04 72.72 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.795 0.807 . . . . 0.0 109.553 169.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 281' ' ' MET . . . . . 0.638 ' HE1' HG13 ' B' ' 4' ' ' ILE . 5.5 ptp -98.13 64.09 1.64 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.975 -178.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 14.0 t -82.38 6.06 18.33 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.501 172.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 11.7 m -125.91 12.37 7.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.967 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 284' ' ' ILE . . . . . 0.591 ' HB ' ' HB2' ' C' ' 281' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.946 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 0' ' ' GLY . . . . . 0.469 ' HA3' ' HG2' ' D' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.84 0 N-CA-C 112.205 -0.358 . . . . 0.0 112.205 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.507 ' SD ' HD21 ' D' ' 278' ' ' LEU . 23.1 mtt -75.64 83.55 2.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.247 0.546 . . . . 0.0 110.596 178.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -70.17 -33.51 71.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.506 -175.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.641 ' HB3' HD13 ' C' ' 278' ' ' LEU . . . -57.69 -62.51 1.75 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.794 -175.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.65 HD12 ' HB ' ' B' ' 4' ' ' ILE . 1.3 tt -65.61 -39.43 84.97 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.0 -176.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -59.7 -51.86 67.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.733 0.302 . . . . 0.0 111.04 -176.63 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -67.95 -44.38 76.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.704 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HB3' HG23 ' C' ' 284' ' ' ILE . 22.4 mtmm -67.7 -32.33 72.89 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.054 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.2 ttp -54.7 -48.47 72.41 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.015 0.436 . . . . 0.0 110.08 172.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -58.58 -53.12 61.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.438 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 90.6 mtp -60.34 -47.33 86.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.163 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.656 HD21 HD21 ' B' ' 11' ' ' LEU . 57.5 tp -60.38 -49.96 75.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.373 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -63.81 -39.01 93.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.001 -175.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 13' ' ' LEU . 4.4 mm? -73.34 -36.87 66.24 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.011 0.434 . . . . 0.0 110.868 177.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.456 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 37.3 t70 -65.33 -49.5 69.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.216 0.531 . . . . 0.0 110.005 178.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.487 ' HA ' ' HB2' ' A' ' 18' ' ' LEU . 5.5 m-20 -67.08 -24.86 66.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.448 177.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.59 -45.74 91.5 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.491 176.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.456 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 25.4 p80 -75.08 -19.83 59.78 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.163 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HB2' ' HA ' ' A' ' 15' ' ' ASN . 5.2 mp -69.16 -55.32 10.99 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.762 0.315 . . . . 0.0 110.557 172.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.552 ' HA ' HG12 ' A' ' 22' ' ' VAL . 16.8 pt-20 -70.56 -26.47 63.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.018 -177.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.631 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 28.1 t-20 -72.73 -41.28 65.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.42 -44.11 97.7 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.532 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 19' ' ' GLU . 12.5 p -72.51 -26.62 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.526 178.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.498 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . . . -66.84 -41.41 87.46 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.161 0.505 . . . . 0.0 110.312 175.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.631 ' HG2' ' O ' ' A' ' 20' ' ' ASN . 25.0 mmm180 -64.08 -39.81 94.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.612 176.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.712 HD11 HG21 ' B' ' 29' ' ' VAL . 2.9 tm? -72.63 -43.31 63.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.009 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.498 ' HG2' ' HA ' ' A' ' 23' ' ' ALA . 14.1 ptmm? -65.97 -30.13 70.64 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.254 -0.178 . . . . 0.0 111.048 -177.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -76.08 -39.54 55.15 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.932 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.68 -52.05 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.453 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG11 HD11 ' B' ' 25' ' ' LEU . 11.7 p -74.95 -27.77 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 111.072 -178.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.79 -34.86 55.67 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.865 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -85.32 -57.88 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.74 0.305 . . . . 0.0 110.259 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.791 -175.616 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 112.031 -0.428 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 249' ' ' CYS . . . . . . . . . . . . . 38.2 t -137.42 -26.23 1.0 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.811 0.339 . . . . 0.0 111.033 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 157.34 -53.61 0.4 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.665 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -157.45 159.62 37.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 22.9 m 70.77 -63.62 0.41 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.928 0.768 . . . . 0.0 111.587 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 253' ' ' ILE . . . . . 0.592 HD12 HD11 ' C' ' 253' ' ' ILE . 11.9 mm -64.43 -33.02 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 110.72 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.83 -42.85 99.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.187 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.83 -44.03 86.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.072 176.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 256' ' ' LEU . . . . . 0.728 ' HG ' HD22 ' C' ' 260' ' ' LEU . 5.5 mp -57.04 -52.59 64.66 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.769 175.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 257' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -59.81 -38.71 82.74 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.132 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 258' ' ' ASP . . . . . 0.608 ' HA ' ' CE2' ' D' ' 261' ' ' TYR . 22.6 t70 -63.55 -57.56 9.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.702 0.763 . . . . 0.0 110.428 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 259' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.39 -25.33 67.97 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.507 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 260' ' ' LEU . . . . . 0.435 HD22 ' HG ' ' C' ' 256' ' ' LEU . 32.2 tp -60.45 -58.26 9.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.162 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 261' ' ' TYR . . . . . 0.608 ' CE2' ' HA ' ' D' ' 258' ' ' ASP . 19.1 p90 -68.23 -26.96 65.96 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.802 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 262' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' D' ' 266' ' ' LYS . . . -60.78 -58.78 7.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.132 175.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 263' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -56.34 -45.09 80.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.186 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -63.75 -39.76 95.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.463 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.8 -36.79 65.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.152 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 266' ' ' LYS . . . . . 0.649 ' HE2' ' HA ' ' D' ' 266' ' ' LYS . 10.4 mmpt? -64.16 -41.21 97.25 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.45 -39.66 95.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.244 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -61.51 -49.3 77.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.29 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.15 82.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.315 -177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 270' ' ' ILE . . . . . 0.419 HD13 HG23 ' C' ' 270' ' ' ILE . 15.1 tt -70.33 -37.5 71.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.358 -176.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 9.8 t -68.93 -43.47 75.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.69 -49.87 71.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.264 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 273' ' ' GLU . . . . . 0.469 ' HG2' ' HA3' ' A' ' 0' ' ' GLY . 29.2 tp10 -57.17 -53.23 60.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.605 -177.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 274' ' ' LEU . . . . . 0.419 ' O ' HD23 ' D' ' 278' ' ' LEU . 8.7 mp -61.55 -45.93 92.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.539 -175.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -65.07 -44.35 89.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.022 0.439 . . . . 0.0 110.471 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -62.87 -50.3 71.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.69 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -61.61 -30.15 70.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.38 -177.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 278' ' ' LEU . . . . . 0.507 HD21 ' SD ' ' A' ' 1' ' ' MET . 4.3 mm? -85.14 -20.43 30.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.769 0.318 . . . . 0.0 111.212 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 279' ' ' LYS . . . . . 0.499 ' O ' HG23 ' D' ' 282' ' ' THR . 8.5 tppt? -82.21 -38.32 24.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.119 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -49.25 -48.77 45.5 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.199 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 281' ' ' MET . . . . . 0.435 ' HB3' ' HE2' ' D' ' 281' ' ' MET . 26.4 mtp -55.15 -67.06 0.3 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.596 -168.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 282' ' ' THR . . . . . 0.499 HG23 ' O ' ' D' ' 279' ' ' LYS . 20.7 p 46.81 26.13 0.53 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.17 0.588 . . . . 0.0 112.544 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 40.2 m -155.69 68.45 0.65 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.138 0.494 . . . . 0.0 109.758 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 284' ' ' ILE . . . . . . . . . . . . . 9.0 tt . . . . . 0 C--O 1.253 1.287 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.319 178.249 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.892 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.429 ' HG3' HG22 ' B' ' 4' ' ' ILE . 35.7 tpp -62.83 105.18 0.63 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.014 0.435 . . . . 0.0 110.166 174.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -47.37 -54.44 11.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.71 -173.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.42 -58.62 5.75 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -172.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.65 ' HB ' HD12 ' A' ' 4' ' ' ILE . 1.8 tp -78.07 -31.34 16.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.546 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.473 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.884 ' HA ' ' HE2' ' B' ' 5' ' ' LYS . 0.1 OUTLIER -65.06 -47.97 75.45 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.921 -0.487 . . . . 0.0 111.139 -178.325 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -72.29 -40.4 67.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.361 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -66.7 -30.85 71.2 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.768 175.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 41.0 ttp -61.33 -43.53 98.72 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.555 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 57.0 tt0 -59.85 -46.52 89.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.217 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 91.8 mtp -68.62 -36.95 79.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.067 0.46 . . . . 0.0 110.73 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 11' ' ' LEU . 44.8 tp -60.68 -51.27 70.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.63 176.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -61.1 -34.43 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.714 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 93.6 mt -60.38 -47.14 87.37 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.007 0.432 . . . . 0.0 110.348 173.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.733 ' HA ' ' HD2' ' B' ' 17' ' ' HIS . 37.9 t70 -63.22 -50.27 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.474 178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -56.84 -44.78 82.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.725 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.46 -44.06 83.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.733 ' HD2' ' HA ' ' B' ' 14' ' ' ASP . 3.1 p80 -70.43 -29.06 65.55 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.863 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.531 ' O ' HG23 ' B' ' 22' ' ' VAL . 62.0 mt -67.01 -50.97 60.5 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 173.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -56.64 -36.97 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.946 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.576 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 24.0 t-20 -70.58 -48.13 56.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.97 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.11 -49.25 66.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.645 176.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 18' ' ' LEU . 57.6 t -60.4 -46.11 95.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.434 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.19 99.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.395 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' B' ' 20' ' ' ASN . 36.5 mmt180 -63.39 -44.68 93.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.031 0.443 . . . . 0.0 110.445 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.429 HD11 HG11 ' A' ' 29' ' ' VAL . 38.7 tp -65.54 -45.44 83.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.421 -179.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -68.86 -24.69 64.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.087 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.746 ' HE2' ' HA ' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -67.89 -51.33 49.3 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 174.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.57 -47.88 80.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.517 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.712 HG21 HD11 ' A' ' 25' ' ' LEU . 95.8 t -65.91 -38.13 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.862 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.58 -38.12 94.48 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.797 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -19.65 63.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.018 -0.992 . . . . 0.0 111.111 -176.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 270' ' ' ILE . . . . . 0.526 HD13 ' O ' ' C' ' 270' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 22.6 t -64.12 -46.76 82.72 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.36 -37.42 80.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.843 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 273' ' ' GLU . . . . . 0.576 ' CD ' ' HA2' ' B' ' 0' ' ' GLY . 17.0 tp10 -62.42 -63.33 1.26 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.065 -178.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 274' ' ' LEU . . . . . 0.471 HD12 ' N ' ' C' ' 275' ' ' ASP . 4.4 pp -55.07 -36.32 65.48 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.139 0.274 . . . . 0.0 111.149 -175.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 275' ' ' ASP . . . . . 0.471 ' N ' HD12 ' C' ' 274' ' ' LEU . 24.8 t70 -60.07 -59.43 5.43 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.808 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -74.75 -30.94 61.65 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.002 -176.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -57.94 -43.29 86.25 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.965 0.412 . . . . 0.0 111.193 -177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 278' ' ' LEU . . . . . 0.568 HD21 ' SD ' ' A' ' 1' ' ' MET . 4.1 mm? -83.62 -31.53 26.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.77 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -68.65 -38.03 80.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.178 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.83 -38.54 72.78 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.243 0.544 . . . . 0.0 110.674 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 281' ' ' MET . . . . . 0.656 ' O ' HG22 ' C' ' 284' ' ' ILE . 13.8 mtm -94.35 49.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.153 -175.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 9.7 t -62.1 -3.4 1.25 Allowed 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.15 0.5 . . . . 0.0 110.885 172.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 20.0 m -116.75 24.1 11.5 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.738 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 284' ' ' ILE . . . . . 0.656 HG22 ' O ' ' C' ' 281' ' ' MET . 6.1 tt . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.258 -0.877 . . . . 0.0 109.709 172.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.568 ' SD ' HD21 ' C' ' 278' ' ' LEU . 50.8 ttm -136.91 99.47 4.03 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -57.06 -47.46 80.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.74 -170.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.518 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -49.67 -64.16 0.89 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.262 -174.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.643 HG13 ' HE3' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -65.07 -42.46 94.56 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.522 -177.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.643 ' HE3' HG13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -60.81 -51.74 68.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.219 0.533 . . . . 0.0 111.616 -177.095 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -71.79 -40.13 69.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.211 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.601 ' HD3' HG23 ' C' ' 284' ' ' ILE . 32.9 tttm -76.02 -28.09 57.6 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.613 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.644 ' SD ' ' HG2' ' D' ' 281' ' ' MET . 7.0 ptt? -68.24 -28.54 67.31 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.498 ' O ' HD23 ' A' ' 13' ' ' LEU . 61.3 tt0 -62.85 -46.45 87.86 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.3 ttt -58.33 -47.88 82.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.298 0.57 . . . . 0.0 109.942 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.575 ' HB3' ' HA ' ' A' ' 8' ' ' MET . 25.7 tp -53.09 -54.77 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.639 177.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' A' ' 12' ' ' LYS . 45.1 mmtt -57.64 -38.92 75.84 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -177.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 9' ' ' GLN . 4.2 mm? -64.04 -35.44 80.73 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.773 178.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.592 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 28.2 t70 -69.03 -45.64 69.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.073 0.463 . . . . 0.0 109.917 174.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -59.82 -41.0 90.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.24 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -60.5 -48.42 81.85 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.675 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.592 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 12.0 p80 -65.47 -27.87 68.81 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.005 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.77 -57.74 4.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.904 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.592 ' HA ' HG12 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -68.46 -30.8 69.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.201 -175.14 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -69.23 -42.39 75.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.917 0.389 . . . . 0.0 109.982 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 42.8 tt0 -64.19 -52.3 59.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.374 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.7 HG22 ' HE3' ' A' ' 26' ' ' LYS . 9.1 p -63.31 -34.89 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.394 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.8 -53.29 49.28 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.774 0.321 . . . . 0.0 110.795 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.1 mtm105 -65.42 -36.14 83.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.202 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.649 HD11 HG21 ' B' ' 29' ' ' VAL . 15.1 tp -63.46 -53.3 54.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.866 -177.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.7 ' HE3' HG22 ' A' ' 22' ' ' VAL . 18.0 ptpt -69.93 -26.18 64.02 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.873 -176.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.16 -41.04 77.78 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 174.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.602 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 45.2 tp -71.71 -40.85 69.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.217 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.648 ' CG2' HG22 ' B' ' 29' ' ' VAL . 21.3 t -70.87 -27.58 30.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 122.002 -0.436 . . . . 0.0 110.001 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.36 -29.84 59.48 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.648 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 12.3 pt-20 . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.441 . . . . 0.0 110.226 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 270' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' C' ' 270' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.443 0.163 . . . . 0.0 110.69 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 65.5 p -70.3 -40.38 74.28 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.523 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -64.46 -41.13 96.69 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.05 0.453 . . . . 0.0 110.248 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.31 -53.6 54.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.773 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 274' ' ' LEU . . . . . 0.511 ' HG ' ' HE2' ' A' ' 1' ' ' MET . 10.9 mp -70.4 -33.72 71.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.462 -177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 275' ' ' ASP . . . . . 0.554 ' O ' ' HB2' ' D' ' 279' ' ' LYS . 27.4 t70 -58.98 -49.65 77.06 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 174.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -64.99 -32.63 74.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.51 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.68 92.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.388 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 278' ' ' LEU . . . . . 0.655 HD11 ' HB ' ' B' ' 4' ' ' ILE . 3.8 mm? -85.74 -28.43 24.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.726 0.298 . . . . 0.0 110.86 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 279' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' D' ' 275' ' ' ASP . 2.1 tptm -63.0 -31.82 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.632 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -47.1 -62.95 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.783 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 281' ' ' MET . . . . . 0.644 ' HG2' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -92.02 -49.74 6.06 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.319 -177.108 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 282' ' ' THR . . . . . 0.531 HG22 ' O ' ' D' ' 281' ' ' MET . 0.7 OUTLIER 58.64 -8.46 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.031 1.333 . . . . 0.0 113.592 -178.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 283' ' ' SER . . . . . 0.463 ' H ' ' C ' ' D' ' 281' ' ' MET . 46.2 m -135.17 76.0 1.6 Allowed 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.991 -0.443 . . . . 0.0 110.653 176.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 284' ' ' ILE . . . . . 0.876 HG12 ' HD2' ' B' ' 7' ' ' LYS . 31.5 pt . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.734 171.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . 0.576 ' HA2' ' CD ' ' C' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.456 ' O ' ' HD2' ' B' ' 5' ' ' LYS . 46.9 tpp -74.79 88.1 2.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -48.33 -41.28 27.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.347 -171.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.519 ' HB3' ' HG ' ' D' ' 278' ' ' LEU . . . -52.76 -71.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -176.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.655 ' HB ' HD11 ' D' ' 278' ' ' LEU . 0.6 OUTLIER -72.27 -30.91 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -175.298 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.456 ' HD2' ' O ' ' B' ' 1' ' ' MET . 0.2 OUTLIER -54.99 -58.34 8.02 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.469 0.652 . . . . 0.0 110.433 177.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -71.38 -32.6 68.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.624 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.876 ' HD2' HG12 ' D' ' 284' ' ' ILE . 19.4 ttmm -70.95 -34.55 71.57 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.509 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.427 ' O ' ' HB3' ' B' ' 11' ' ' LEU . 32.3 ttp -66.51 -38.71 87.81 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.954 0.407 . . . . 0.0 110.019 176.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.542 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 62.0 tt0 -59.83 -51.53 69.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 48.4 ttm -57.83 -42.24 83.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.623 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.427 ' HB3' ' O ' ' B' ' 8' ' ' MET . 8.0 tp -52.49 -63.36 1.17 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.389 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' B' ' 16' ' ' TYR . 24.5 mtmt -72.58 -25.72 61.45 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -173.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 72.2 mt -61.5 -43.28 99.14 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.783 173.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.585 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 35.4 t70 -68.71 -49.18 60.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.604 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -67.21 -29.35 68.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.471 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.692 ' HA ' ' HG2' ' B' ' 19' ' ' GLU . 2.4 m-85 -69.44 -40.06 77.43 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.421 177.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.585 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 7.3 p80 -70.7 -24.99 62.76 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.57 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tt -73.63 -49.14 27.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.988 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.692 ' HG2' ' HA ' ' B' ' 16' ' ' TYR . 7.9 pt-20 -66.56 -33.39 75.57 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-O 120.725 0.298 . . . . 0.0 110.593 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -65.43 -43.88 89.1 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.245 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.25 -53.79 47.42 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.317 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.67 HG12 ' HA ' ' B' ' 19' ' ' GLU . 9.8 p -62.24 -32.35 54.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -175.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.9 -47.11 69.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.972 0.415 . . . . 0.0 110.698 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -72.34 -29.63 63.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.658 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.594 ' O ' HG23 ' B' ' 29' ' ' VAL . 61.8 tp -69.28 -48.03 62.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.015 177.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.533 ' HA ' HG23 ' B' ' 29' ' ' VAL . 17.2 ptpt -66.29 -26.18 67.21 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.93 0.395 . . . . 0.0 110.317 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -64.48 -44.3 91.42 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 2.4 mm? -64.31 -29.73 70.8 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.015 176.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 25' ' ' LEU . 17.4 t -65.63 -33.55 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 175.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.75 -26.09 72.3 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.541 173.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' B' ' 28' ' ' LEU . 0.4 OUTLIER -73.57 -34.87 65.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.627 0.251 . . . . 0.0 111.15 176.736 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' B' ' 28' ' ' LEU . 12.0 ptm180 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.42 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 270' ' ' ILE . . . . . . . . . . . . . 10.0 tt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.813 0.34 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 47.1 t -65.46 -47.36 76.4 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -50.89 -45.67 60.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.99 0.424 . . . . 0.0 110.214 175.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.87 -58.33 7.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.363 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 274' ' ' LEU . . . . . 0.562 HD22 ' HE1' ' A' ' 1' ' ' MET . 92.7 mt -67.73 -45.97 73.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.791 -174.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.53 -54.61 44.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.81 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -59.78 -41.13 90.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.677 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 277' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' C' ' 280' ' ' ASP . . . -62.66 -50.16 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.768 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 278' ' ' LEU . . . . . 0.705 HD12 ' HB ' ' A' ' 4' ' ' ILE . 3.8 mm? -77.21 -18.32 57.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.629 0.252 . . . . 0.0 111.625 -175.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -86.05 -19.0 30.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.002 173.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 280' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' C' ' 277' ' ' ALA . 0.3 OUTLIER -53.06 -63.54 1.11 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -175.656 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 281' ' ' MET . . . . . 0.406 ' SD ' ' HE2' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -70.08 -25.51 63.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.749 -172.634 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 17.9 p 54.99 -69.73 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.144 0.978 . . . . 0.0 112.879 -173.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 24.7 t -74.4 81.76 1.91 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.514 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 284' ' ' ILE . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.556 -0.735 . . . . 0.0 109.596 173.491 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.94 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.623 ' HG3' HG22 ' A' ' 4' ' ' ILE . 30.9 tpp -96.76 29.6 2.95 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.445 0.641 . . . . 0.0 109.709 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.06 -19.85 14.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.098 -0.956 . . . . 0.0 112.751 -171.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.47 -58.57 6.95 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.157 0.503 . . . . 0.0 110.984 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.705 ' HB ' HD12 ' C' ' 278' ' ' LEU . 0.7 OUTLIER -78.44 -38.52 22.77 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.698 178.652 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.893 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 7.5 mmpt? -60.52 -43.26 97.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.849 0.357 . . . . 0.0 111.113 -175.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -69.78 -47.66 62.09 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.904 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -63.96 -29.08 70.28 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.735 178.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.528 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 48.7 ttp -61.41 -45.5 94.05 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.666 176.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -56.44 -47.3 79.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.494 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -67.66 -33.12 74.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.589 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.478 HD21 HD21 ' B' ' 11' ' ' LEU . 28.9 tp -61.75 -45.94 91.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.942 175.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 8' ' ' MET . 29.9 mtpp -63.37 -40.96 98.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.942 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.37 -39.96 84.95 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.163 0.506 . . . . 0.0 110.171 174.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.962 ' HA ' ' HD2' ' A' ' 17' ' ' HIS . 29.6 t70 -67.43 -50.22 60.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.885 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.39 -33.77 75.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.272 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -83.59 -27.89 28.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.324 0.491 . . . . 0.0 112.324 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.962 ' HD2' ' HA ' ' A' ' 14' ' ' ASP . 1.4 p80 -73.44 -28.72 62.12 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 119.376 -0.93 . . . . 0.0 108.85 173.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.4 tp -75.04 -38.25 61.5 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 174.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -59.09 -49.18 78.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.14 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -69.86 -33.87 72.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.364 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -58.24 -58.51 8.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.331 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.45 ' HB ' HG22 ' B' ' 22' ' ' VAL . 11.0 p -64.8 -30.8 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.451 -177.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.43 71.65 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.896 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -65.44 -41.48 93.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.075 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.66 -48.51 79.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.324 -176.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -67.85 -30.2 69.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.829 0.347 . . . . 0.0 110.373 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.585 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 23.1 ttpp -79.68 -21.29 44.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.186 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.0 tp -76.92 -36.98 56.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 110.314 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.448 ' HB ' HG22 ' B' ' 29' ' ' VAL . 8.5 p -83.1 -29.61 8.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.027 175.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.29 -18.88 78.94 Favored Glycine 0 CA--C 1.519 0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.009 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.585 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 4.1 tp10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.333 0.587 . . . . 0.0 110.124 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 270' ' ' ILE . . . . . 0.499 HD13 HD23 ' D' ' 274' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 271' ' ' SER . . . . . 0.528 ' O ' ' HG ' ' D' ' 274' ' ' LEU . 50.6 m -65.21 -49.69 68.75 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.148 0.499 . . . . 0.0 110.482 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.35 -42.57 99.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.003 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -65.7 -44.95 84.61 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.22 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 274' ' ' LEU . . . . . 0.786 ' HB2' ' HE3' ' B' ' 1' ' ' MET . 3.8 pp -61.86 -42.48 99.11 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.809 -174.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -68.1 -45.47 73.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.232 0.539 . . . . 0.0 110.206 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -66.68 -50.88 61.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.098 -176.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 277' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' D' ' 281' ' ' MET . . . -64.01 -35.17 79.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.607 -174.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 278' ' ' LEU . . . . . 0.575 HD13 ' SD ' ' D' ' 281' ' ' MET . 4.1 mm? -74.99 -29.08 60.79 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.883 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -75.16 -35.35 61.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.236 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -56.51 -51.78 67.23 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.864 0.84 . . . . 0.0 110.171 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 281' ' ' MET . . . . . 0.612 ' O ' HG22 ' D' ' 284' ' ' ILE . 14.5 ptm -82.89 41.95 0.77 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.945 -172.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 282' ' ' THR . . . . . 0.455 ' HA ' ' NZ ' ' B' ' 7' ' ' LYS . 14.2 t -60.54 -12.12 8.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.847 0.356 . . . . 0.0 110.704 175.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 24.6 m -89.94 13.08 15.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.076 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 284' ' ' ILE . . . . . 0.612 HG22 ' O ' ' D' ' 281' ' ' MET . 7.2 tt . . . . . 0 C--O 1.246 0.908 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 173.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.873 0 N-CA-C 111.852 -0.499 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.786 ' HE3' ' HB2' ' D' ' 274' ' ' LEU . 50.5 tpp -120.16 90.17 3.27 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -77.1 -23.78 51.82 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.606 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.66 -65.54 0.54 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.912 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.69 ' HB ' HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -62.04 -46.87 95.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.616 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.595 178.152 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.536 ' HD3' HG13 ' B' ' 4' ' ' ILE . 20.7 mmtp -60.29 -45.78 92.16 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -172.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.88 -43.36 68.54 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.184 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.455 ' NZ ' ' HA ' ' D' ' 282' ' ' THR . 38.1 mtpt -72.94 -34.33 66.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.966 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.555 ' HA ' ' HB3' ' B' ' 11' ' ' LEU . 1.1 tmt? -65.21 -34.47 78.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.511 175.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.452 ' O ' HD23 ' B' ' 13' ' ' LEU . 53.2 tt0 -62.2 -46.81 87.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 26.6 ttt -62.38 -41.69 98.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.134 0.493 . . . . 0.0 109.887 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.555 ' HB3' ' HA ' ' B' ' 8' ' ' MET . 15.8 tp -54.13 -48.66 70.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.078 175.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.98 ' HE2' ' HA ' ' B' ' 12' ' ' LYS . 9.2 mmpt? -66.61 -33.05 74.8 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.36 -177.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.452 HD23 ' O ' ' B' ' 9' ' ' GLN . 4.0 mm? -64.9 -40.87 95.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.953 0.406 . . . . 0.0 110.223 175.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.703 ' HA ' ' HD2' ' B' ' 17' ' ' HIS . 1.2 t70 -70.45 -44.24 68.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.458 0.646 . . . . 0.0 109.789 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -40.57 89.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.732 177.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -66.21 -45.41 80.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.46 -177.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.703 ' HD2' ' HA ' ' B' ' 14' ' ' ASP . 12.2 p80 -66.99 -28.19 68.05 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 119.832 -0.747 . . . . 0.0 109.948 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.516 ' O ' HG23 ' B' ' 22' ' ' VAL . 96.9 mt -70.39 -52.62 21.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.334 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.36 -41.3 88.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.56 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -57.39 -47.76 80.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.603 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -62.35 -44.52 96.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.232 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 18' ' ' LEU . 83.9 t -61.24 -48.68 87.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.888 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.24 91.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.948 0.404 . . . . 0.0 111.315 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.425 ' HD3' ' HA ' ' B' ' 24' ' ' ARG . 80.8 mmt-85 -63.98 -40.59 96.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 tp -73.19 -35.71 66.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.827 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -56.91 -49.76 74.63 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.948 0.404 . . . . 0.0 110.788 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -69.8 -30.89 68.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.739 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.28 -46.51 70.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.053 0.454 . . . . 0.0 110.636 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.448 HG22 ' HB ' ' A' ' 29' ' ' VAL . 87.7 t -70.37 -35.04 60.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.726 178.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.86 -32.28 77.26 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.052 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.89 -42.96 99.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.368 0.604 . . . . 0.0 111.475 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.809 -171.919 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 270' ' ' ILE . . . . . 0.75 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 10.4 tt . . . . . 0 C--O 1.224 -0.281 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 23.0 t -60.5 -46.98 88.14 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.781 0.324 . . . . 0.0 110.325 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.03 -39.29 89.22 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.433 176.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 273' ' ' GLU . . . . . 0.462 ' O ' ' HB3' ' C' ' 276' ' ' HIS . 28.7 tt0 -66.95 -34.98 78.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.721 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 274' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 31.6 mt -69.56 -41.96 75.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.787 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -58.52 -45.88 87.92 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 276' ' ' HIS . . . . . 0.462 ' HB3' ' O ' ' C' ' 273' ' ' GLU . 22.7 t-80 -50.78 -55.48 16.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.177 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 277' ' ' ALA . . . . . 0.488 ' HB1' ' HD2' ' B' ' 5' ' ' LYS . . . -51.06 -52.78 39.87 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.448 -0.796 . . . . 0.0 113.118 -174.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 278' ' ' LEU . . . . . 0.558 ' HG ' ' HB3' ' A' ' 3' ' ' ALA . 2.4 mm? -75.75 -37.09 59.62 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.125 -175.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -68.98 -19.85 64.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.649 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -60.71 -28.62 68.79 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.649 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 281' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' C' ' 282' ' ' THR . 0.0 OUTLIER -109.43 -78.4 0.59 Allowed 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.191 -173.701 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 282' ' ' THR . . . . . 0.457 ' N ' ' SD ' ' C' ' 281' ' ' MET . 23.5 m 66.75 -0.98 1.45 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.832 0.825 . . . . 0.0 110.436 -173.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 283' ' ' SER . . . . . 0.4 ' H ' ' C ' ' C' ' 281' ' ' MET . 22.8 t -151.1 60.48 0.91 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.082 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 284' ' ' ILE . . . . . 0.639 HG22 ' HG3' ' B' ' 8' ' ' MET . 13.8 pt . . . . . 0 C--O 1.251 1.153 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.179 170.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.549 ' CE ' HD13 ' C' ' 274' ' ' LEU . 23.5 mmt -92.75 82.53 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.208 0.528 . . . . 0.0 109.945 -178.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.682 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 8.6 p-10 -67.51 -19.86 65.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.481 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.558 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -54.51 -64.63 0.77 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.384 175.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.981 HD12 ' HB ' ' B' ' 4' ' ' ILE . 0.2 OUTLIER -64.5 -37.92 81.27 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.723 176.396 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.682 ' HB2' ' HA ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -57.23 -52.62 64.57 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -176.158 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -78.62 -29.92 46.23 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.042 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -37.25 86.46 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 173.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.8 ttp -62.54 -38.94 91.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.297 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -57.5 -52.24 66.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.103 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.1 ttt -65.15 -39.09 92.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.607 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.851 HD11 HD21 ' B' ' 11' ' ' LEU . 9.4 tt -57.36 -54.33 48.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.733 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -65.2 -34.52 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.909 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.81 -46.79 81.4 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.98 -37.27 83.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.756 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -49.62 71.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -62.9 -37.83 88.51 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.232 0.539 . . . . 0.0 109.861 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -57.52 -53.8 54.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.842 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.15 -57.36 8.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.246 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -48.99 -50.7 34.58 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.448 0.467 . . . . 0.0 111.644 -175.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 45.1 t30 -68.15 -46.45 70.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.49 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -65.49 -41.77 92.89 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.198 0.523 . . . . 0.0 110.512 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.644 HG11 HG12 ' B' ' 22' ' ' VAL . 74.2 t -66.16 -34.86 73.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.594 178.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.9 83.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.199 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 60.9 mtp180 -69.7 -34.93 74.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.612 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.31 -49.08 68.25 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.577 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.542 ' HE3' HG12 ' A' ' 22' ' ' VAL . 17.1 ptpt -73.03 -19.09 61.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.51 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 46.6 tttp -71.13 -39.45 71.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.173 171.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.32 -52.92 63.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.034 0.445 . . . . 0.0 110.76 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 p -77.53 -25.39 14.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.012 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.0 -17.74 66.73 Favored Glycine 0 C--O 1.229 -0.206 0 CA-C-N 115.913 -0.585 . . . . 0.0 113.129 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 6.1 tp10 . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 121.091 0.472 . . . . 0.0 110.534 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 270' ' ' ILE . . . . . 0.402 ' O ' HD13 ' D' ' 274' ' ' LEU . 11.8 tt . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 120.703 0.287 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 28.8 t -70.11 -35.81 74.4 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -66.18 -47.37 74.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.087 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -59.3 -58.46 8.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.204 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 274' ' ' LEU . . . . . 0.402 HD13 ' O ' ' D' ' 270' ' ' ILE . 6.3 mp -62.92 -46.81 86.05 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -174.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.03 -51.61 68.59 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.911 0.386 . . . . 0.0 110.05 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 276' ' ' HIS . . . . . 0.465 ' O ' ' HB2' ' D' ' 280' ' ' ASP . 2.0 t-80 -65.53 -40.37 92.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.855 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -69.65 -37.72 76.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -174.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 278' ' ' LEU . . . . . 0.546 ' HG ' ' SD ' ' B' ' 1' ' ' MET . 4.3 mm? -85.29 -24.07 27.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.878 0.37 . . . . 0.0 111.294 -177.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 279' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' D' ' 279' ' ' LYS . 29.2 ttmt -85.55 -19.07 31.67 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.571 0.701 . . . . 0.0 109.7 176.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 280' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' D' ' 276' ' ' HIS . 5.9 t70 -54.63 -46.51 73.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.938 -173.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 281' ' ' MET . . . . . 0.546 ' HG2' ' N ' ' D' ' 282' ' ' THR . 0.0 OUTLIER -89.8 -56.87 3.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.507 -0.477 . . . . 0.0 112.063 -173.632 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 282' ' ' THR . . . . . 0.546 ' N ' ' HG2' ' D' ' 281' ' ' MET . 0.4 OUTLIER 69.63 -32.6 0.23 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.51 0.724 . . . . 0.0 112.17 -174.551 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 283' ' ' SER . . . . . 0.453 ' H ' ' C ' ' D' ' 281' ' ' MET . 14.2 m -88.79 81.8 6.91 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.067 0.46 . . . . 0.0 111.336 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 284' ' ' ILE . . . . . 0.629 HG23 ' NZ ' ' B' ' 7' ' ' LYS . 1.7 tt . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.008 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.546 ' SD ' ' HG ' ' D' ' 278' ' ' LEU . 43.4 tpp -86.42 89.21 7.81 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -60.39 -25.75 66.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.051 -172.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.02 -69.09 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.917 0.389 . . . . 0.0 111.655 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.981 ' HB ' HD12 ' A' ' 4' ' ' ILE . 1.6 tp -72.81 -37.26 54.5 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.483 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.965 ' HA ' ' HE2' ' B' ' 5' ' ' LYS . 10.0 mmpt? -70.59 -47.21 61.31 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -172.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -68.69 -45.13 72.45 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.404 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.629 ' NZ ' HG23 ' D' ' 284' ' ' ILE . 8.0 mtmp? -66.63 -32.1 73.2 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.569 178.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.639 ' HG3' HG22 ' C' ' 284' ' ' ILE . 12.4 ttt -53.23 -47.87 68.65 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.91 0.386 . . . . 0.0 110.77 174.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.431 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 35.2 tt0 -59.4 -50.61 73.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.507 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 23.7 ttt -59.62 -46.88 87.67 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.198 0.523 . . . . 0.0 110.61 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.851 HD21 HD11 ' A' ' 11' ' ' LEU . 7.2 tp -50.96 -59.16 4.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.946 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -68.25 -28.7 67.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.551 -174.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 83.4 mt -67.92 -41.2 82.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.042 0.449 . . . . 0.0 110.044 174.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.651 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 34.6 t70 -63.93 -50.79 67.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.351 176.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.99 -32.74 74.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.57 -48.94 77.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.044 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.651 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 20.9 p80 -73.34 -23.64 60.26 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.187 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.622 ' O ' HG13 ' B' ' 22' ' ' VAL . 87.2 mt -67.53 -48.92 65.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.549 ' HA ' HG22 ' B' ' 22' ' ' VAL . 34.5 tt0 -61.6 -35.9 79.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.993 0.425 . . . . 0.0 110.008 177.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.654 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 44.6 t-20 -59.64 -48.77 80.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 175.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.35 -53.46 57.08 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.134 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.644 HG12 HG11 ' A' ' 22' ' ' VAL . 3.4 m -66.05 -27.84 42.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.241 -174.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.78 -41.39 83.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.061 0.458 . . . . 0.0 110.226 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' B' ' 20' ' ' ASN . 24.7 mmt180 -70.41 -36.84 74.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.594 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.471 ' O ' HG23 ' B' ' 29' ' ' VAL . 61.1 tp -62.62 -53.74 50.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.208 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -63.06 -34.63 78.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.914 0.388 . . . . 0.0 110.584 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -64.33 -40.48 95.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.624 177.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.7 -44.34 77.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.459 178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 25' ' ' LEU . 88.0 t -62.4 -38.1 80.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.21 -22.81 72.79 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.272 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -71.4 -48.04 52.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.436 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.072 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 270' ' ' ILE . . . . . 0.417 ' O ' HD13 ' C' ' 274' ' ' LEU . 16.0 tt . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 10.4 t -66.81 -34.38 77.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.302 0.572 . . . . 0.0 109.989 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -76.26 -37.36 57.69 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.52 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.6 -40.75 92.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.534 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 274' ' ' LEU . . . . . 0.524 ' O ' HD22 ' C' ' 278' ' ' LEU . 7.9 mp -57.53 -56.8 17.24 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 174.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 275' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' C' ' 279' ' ' LYS . 16.1 t70 -49.26 -47.67 46.48 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.659 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -59.91 -51.77 68.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.217 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -55.98 -40.82 73.84 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -174.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 278' ' ' LEU . . . . . 0.887 HD12 ' HE2' ' C' ' 281' ' ' MET . 0.8 OUTLIER -82.53 -19.34 38.82 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.605 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 279' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' C' ' 275' ' ' ASP . 0.7 OUTLIER -80.72 -27.77 36.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.462 178.132 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -56.31 -18.97 12.32 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.944 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 281' ' ' MET . . . . . 0.887 ' HE2' HD12 ' C' ' 278' ' ' LEU . 23.0 ptt? -128.27 34.7 4.52 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.454 -168.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 2.9 p -57.6 78.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.555 0.693 . . . . 0.0 112.633 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 283' ' ' SER . . . . . 0.41 ' N ' ' O ' ' C' ' 281' ' ' MET . 50.4 m -163.82 -36.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 284' ' ' ILE . . . . . 0.693 HG13 HD22 ' A' ' 11' ' ' LEU . 8.0 tt . . . . . 0 C--O 1.252 1.225 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.331 174.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . 0.593 ' HA2' ' CD ' ' D' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 112.258 -0.337 . . . . 0.0 112.258 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp -81.54 73.83 8.56 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 36.2 m-20 -57.61 -32.64 67.41 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.693 -175.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.2 -66.81 0.35 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.515 0.509 . . . . 0.0 111.582 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.488 HG23 ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -79.65 -36.98 17.95 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.493 -178.693 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.85 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -59.02 -48.68 80.71 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.655 0.264 . . . . 0.0 111.447 -177.17 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 0.7 OUTLIER -72.9 -42.77 63.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.384 -178.353 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.491 ' HE2' HG23 ' C' ' 284' ' ' ILE . 32.6 mtmm -70.76 -28.68 64.87 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 119.906 -0.717 . . . . 0.0 110.823 178.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.646 ' HG3' HD12 ' D' ' 284' ' ' ILE . 47.0 ttp -60.01 -44.47 94.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.866 0.365 . . . . 0.0 110.127 173.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.448 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 63.2 tt0 -60.52 -46.8 88.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.181 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -61.02 -46.25 91.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.169 177.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.891 HD21 HD21 ' B' ' 11' ' ' LEU . 15.7 tp -54.55 -53.09 59.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.307 176.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -65.47 -31.89 73.21 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.038 -177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 9' ' ' GLN . 90.3 mt -70.43 -38.77 74.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.975 0.417 . . . . 0.0 110.136 175.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.736 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 27.2 t70 -64.77 -48.86 72.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.825 176.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -35.96 80.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.218 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -64.22 -50.01 69.69 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.736 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 19.4 p80 -67.01 -26.02 66.58 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 119.876 -0.729 . . . . 0.0 110.328 -177.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.632 ' O ' HG23 ' A' ' 22' ' ' VAL . 94.0 mt -69.91 -61.98 1.56 Allowed 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -55.41 -38.96 69.61 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.065 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -64.33 -45.06 89.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.553 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.28 -37.21 86.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.208 0.528 . . . . 0.0 109.592 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 18' ' ' LEU . 47.7 t -65.72 -40.5 87.99 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.286 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.211 175.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . . . -61.68 -41.09 97.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.001 0.429 . . . . 0.0 110.249 176.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -60.61 -46.91 88.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.979 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.472 HD11 HG11 ' B' ' 29' ' ' VAL . 1.4 tm? -67.5 -46.26 73.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.751 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.642 ' HA ' HG12 ' A' ' 29' ' ' VAL . 18.1 ptpt -66.27 -30.06 70.41 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-O 120.685 0.278 . . . . 0.0 111.118 -176.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -73.82 -36.6 64.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.338 0.59 . . . . 0.0 109.658 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.58 -46.07 67.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.183 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.72 HG11 HD11 ' B' ' 25' ' ' LEU . 9.1 p -76.02 -23.4 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.991 0.424 . . . . 0.0 110.694 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.71 -44.04 72.54 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.219 175.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.218 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 270' ' ' ILE . . . . . 0.48 HD11 HD22 ' C' ' 274' ' ' LEU . 11.9 tt . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 120.402 0.144 . . . . 0.0 111.361 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 11.7 p -69.98 -38.47 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.779 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 272' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' D' ' 275' ' ' ASP . 34.5 tp10 -63.94 -40.52 96.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.07 0.462 . . . . 0.0 109.758 172.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 273' ' ' GLU . . . . . 0.593 ' CD ' ' HA2' ' A' ' 0' ' ' GLY . 11.2 tp10 -62.51 -52.27 64.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.089 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 274' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.33 -28.44 70.01 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.803 0.335 . . . . 0.0 110.76 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 275' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' D' ' 279' ' ' LYS . 15.5 t70 -59.64 -53.31 59.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.148 175.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 276' ' ' HIS . . . . . 0.403 ' HD2' ' O ' ' D' ' 272' ' ' GLU . 93.9 m-70 -73.08 -28.1 62.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.104 -177.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -63.83 -47.48 80.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.365 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 278' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' D' ' 278' ' ' LEU . 3.5 mm? -85.94 -21.75 27.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.365 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 279' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' D' ' 275' ' ' ASP . 1.7 mptm? -69.34 -31.36 69.74 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.231 0.539 . . . . 0.0 110.051 173.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -47.69 -64.7 0.72 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.49 -1.232 . . . . 0.0 113.211 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 281' ' ' MET . . . . . 0.626 ' HG2' ' N ' ' D' ' 282' ' ' THR . 0.0 OUTLIER -75.26 -57.63 3.78 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.478 -170.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 282' ' ' THR . . . . . 0.626 ' N ' ' HG2' ' D' ' 281' ' ' MET . 1.3 t 49.38 14.19 0.09 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.119 0.968 . . . . 0.0 111.89 -171.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 20.1 m -151.19 69.59 0.95 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.875 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 284' ' ' ILE . . . . . 0.646 HD12 ' HG3' ' A' ' 8' ' ' MET . 10.0 tt . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.05 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.8 mmm -76.94 98.21 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.21 -29.93 70.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.431 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.58 -62.66 1.57 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.823 0.344 . . . . 0.0 111.251 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.472 HG12 HG13 ' A' ' 4' ' ' ILE . 1.5 tp -68.53 -35.5 70.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.734 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.757 ' HA ' ' HE2' ' B' ' 5' ' ' LYS . 0.5 OUTLIER -61.71 -52.33 64.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.454 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' B' ' 9' ' ' GLN . 63.0 tttp -69.93 -42.73 72.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.026 0.441 . . . . 0.0 110.922 -176.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.614 ' HB3' ' OXT' ' D' ' 284' ' ' ILE . 19.4 mtmm -64.02 -40.81 97.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.49 ' HA ' ' HB3' ' B' ' 11' ' ' LEU . 12.9 ttp -58.69 -37.15 75.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.736 0.303 . . . . 0.0 110.777 176.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' B' ' 6' ' ' LYS . 63.0 tt0 -56.75 -53.87 52.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.065 177.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 82.7 mtp -66.8 -35.08 79.24 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.52 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.891 HD21 HD21 ' A' ' 11' ' ' LEU . 27.6 tp -57.07 -55.96 27.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.442 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -63.51 -39.92 95.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.714 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 92.7 mt -59.6 -37.97 79.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.93 0.395 . . . . 0.0 110.331 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.74 ' HA ' ' HD2' ' B' ' 17' ' ' HIS . 22.8 t70 -65.89 -46.46 78.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.101 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.21 -43.48 78.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.066 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -65.46 -43.04 91.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.927 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.74 ' HD2' ' HA ' ' B' ' 14' ' ' ASP . 2.1 p80 -72.97 -29.98 63.48 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.902 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.633 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.0 tm? -60.99 -49.1 78.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 175.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.86 -25.82 68.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.677 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -70.69 -48.38 54.99 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -42.2 93.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.829 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.633 HG23 ' O ' ' B' ' 18' ' ' LEU . 86.3 t -60.38 -49.69 83.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.929 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.93 -45.17 74.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.02 0.438 . . . . 0.0 111.061 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -67.78 -40.57 83.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.559 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.72 HD11 HG11 ' A' ' 29' ' ' VAL . 51.9 tp -67.97 -45.68 73.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.45 -177.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.616 ' HA ' HG12 ' B' ' 29' ' ' VAL . 14.0 ptmm? -71.53 -26.95 62.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.833 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -70.16 -42.19 72.83 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 172.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 tp -60.33 -53.67 54.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.688 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' B' ' 26' ' ' LYS . 10.9 p -64.67 -26.71 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-O 121.013 0.435 . . . . 0.0 110.564 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.72 -25.11 74.83 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.907 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.494 ' HB3' HH11 ' B' ' 32' ' ' ARG . 32.6 tt0 -81.83 -37.28 27.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.392 0.139 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.494 HH11 ' HB3' ' B' ' 31' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.802 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 270' ' ' ILE . . . . . 0.656 HD13 HD12 ' D' ' 270' ' ' ILE . 12.6 tt . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.457 0.17 . . . . 0.0 110.713 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 29.4 t -64.05 -37.22 86.63 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.86 -46.89 88.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.906 173.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -62.75 -46.75 86.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.079 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 274' ' ' LEU . . . . . 0.637 ' HG ' ' CE ' ' B' ' 1' ' ' MET . 8.1 mp -65.54 -34.43 78.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.813 -0.176 . . . . 0.0 110.748 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.33 -48.13 77.37 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.166 0.508 . . . . 0.0 109.823 175.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 276' ' ' HIS . . . . . 0.486 ' HA ' ' HB2' ' C' ' 279' ' ' LYS . 12.0 m170 -74.1 -24.38 59.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.552 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -67.07 -40.54 87.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.906 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 278' ' ' LEU . . . . . 0.608 ' CD1' ' HB ' ' A' ' 4' ' ' ILE . 2.6 mm? -86.09 -31.93 21.64 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.731 177.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 279' ' ' LYS . . . . . 0.486 ' HB2' ' HA ' ' C' ' 276' ' ' HIS . 36.1 mttp -65.59 -19.19 65.82 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.896 0.379 . . . . 0.0 110.93 173.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -50.89 -47.52 60.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.569 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 281' ' ' MET . . . . . 0.492 ' SD ' ' N ' ' C' ' 282' ' ' THR . 0.0 OUTLIER -110.04 -57.3 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.102 -174.497 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 282' ' ' THR . . . . . 0.492 ' N ' ' SD ' ' C' ' 281' ' ' MET . 57.1 p 49.37 23.09 0.79 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.6 0.76 . . . . 0.0 112.095 -174.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 78.8 p -126.3 8.29 7.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 284' ' ' ILE . . . . . 0.488 HG13 ' OXT' ' C' ' 284' ' ' ILE . 10.2 pt . . . . . 0 C--O 1.243 0.728 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.741 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 CA-C-O 119.36 -0.689 . . . . 0.0 113.187 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.545 ' HG2' ' HG3' ' D' ' 273' ' ' GLU . 82.8 mmm -49.36 101.18 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 117.533 0.666 . . . . 0.0 110.775 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -66.84 -34.28 77.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.099 -0.955 . . . . 0.0 113.069 -168.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.475 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -52.13 -67.3 0.26 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -176.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.608 ' HB ' ' CD1' ' C' ' 278' ' ' LEU . 0.0 OUTLIER -73.31 -33.56 41.26 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.998 -177.097 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.784 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -60.23 -44.7 94.99 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.89 179.207 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -64.25 -52.19 59.93 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.337 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HE3' ' OXT' ' C' ' 284' ' ' ILE . 26.6 mtpp -65.61 -38.59 89.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.011 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.418 ' HG3' HG13 ' D' ' 284' ' ' ILE . 24.7 ttp -57.12 -40.81 77.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.875 178.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.8 -45.12 79.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.264 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.51 -40.02 95.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.449 0.642 . . . . 0.0 110.064 177.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.72 -51.43 69.38 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.648 175.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.845 ' HA ' ' HE3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -62.18 -37.98 87.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.094 -176.537 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 14' ' ' ASP . 4.5 pp -74.28 -30.34 62.05 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.811 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.479 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 26.5 t0 -67.75 -44.1 78.3 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.554 0.692 . . . . 0.0 109.151 174.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -36.11 82.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.428 176.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -61.1 -49.92 75.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.16 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.479 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 22.0 p80 -69.48 -34.96 75.11 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 119.811 -0.755 . . . . 0.0 110.113 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 22' ' ' VAL . 68.1 mt -63.86 -50.2 69.74 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.735 177.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.24 -31.35 68.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.086 0.47 . . . . 0.0 110.374 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.631 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 2.4 t30 -76.16 -46.06 30.44 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -61.7 -38.93 89.67 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.24 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 18' ' ' LEU . 94.4 t -60.87 -49.03 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.2 97.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.631 ' HG2' ' O ' ' A' ' 20' ' ' ASN . 34.1 mmt180 -63.99 -43.41 95.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.705 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.1 tp -67.5 -39.86 85.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.45 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.27 -34.68 78.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.611 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -36.19 67.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.322 177.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.42 -48.38 75.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.0 p -74.25 -25.11 19.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.451 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.19 -28.56 59.99 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.136 -0.554 . . . . 0.0 111.925 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 121.305 0.574 . . . . 0.0 109.872 176.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 270' ' ' ILE . . . . . 0.656 HD12 HD13 ' C' ' 270' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.396 0 CA-C-O 120.576 0.227 . . . . 0.0 110.419 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 39.2 m -64.33 -46.77 82.07 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.177 0.513 . . . . 0.0 110.334 176.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.79 -36.5 84.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.608 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 273' ' ' GLU . . . . . 0.545 ' HG3' ' HG2' ' A' ' 1' ' ' MET . 10.1 tp10 -57.18 -61.47 2.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.384 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 274' ' ' LEU . . . . . 0.573 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 4.2 pp -58.16 -38.26 76.27 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.806 0.336 . . . . 0.0 111.0 -176.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 275' ' ' ASP . . . . . 0.456 ' N ' HD12 ' D' ' 274' ' ' LEU . 19.8 t70 -63.43 -52.25 62.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 178.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -67.16 -38.07 84.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.969 -176.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.95 88.5 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -175.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 278' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' D' ' 278' ' ' LEU . 4.4 mm? -81.79 -27.98 33.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.087 0.47 . . . . 0.0 111.676 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -84.05 -17.9 38.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.979 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -46.0 68.06 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.411 -177.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 281' ' ' MET . . . . . 0.41 ' HG3' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -94.71 -35.65 12.06 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.236 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 282' ' ' THR . . . . . 0.558 ' O ' ' HE2' ' B' ' 7' ' ' LYS . 62.9 m 70.39 -57.74 0.57 Allowed 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.011 0.819 . . . . 0.0 111.525 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 24.1 m -98.15 75.02 2.28 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.303 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 284' ' ' ILE . . . . . 0.446 HD12 HD11 ' A' ' 4' ' ' ILE . 3.7 tt . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.532 -0.747 . . . . 0.0 109.462 170.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.637 ' CE ' ' HG ' ' C' ' 274' ' ' LEU . 75.9 mtm -135.35 98.98 4.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.921 0.391 . . . . 0.0 110.553 176.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -85.48 -19.63 30.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.313 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -45.03 -58.29 3.28 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.658 0.599 . . . . 0.0 111.914 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.427 HG23 ' HE3' ' B' ' 5' ' ' LYS . 0.1 OUTLIER -63.72 -49.35 82.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.3 -179.49 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.434 ' HA ' ' HB3' ' B' ' 8' ' ' MET . 0.0 OUTLIER -67.98 -33.07 73.93 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -173.485 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -71.86 -48.38 46.37 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.558 ' HE2' ' O ' ' D' ' 282' ' ' THR . 17.4 mtpp -69.33 -32.75 72.06 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.434 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 2.6 ttt -55.61 -42.35 74.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.864 172.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -63.14 -43.7 97.61 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 44.7 mtt -62.49 -47.15 85.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.509 0.671 . . . . 0.0 109.747 174.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' B' ' 8' ' ' MET . 10.2 tp -52.78 -57.72 9.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.218 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -64.31 -40.91 96.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.812 -175.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.79 -38.69 89.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.965 0.412 . . . . 0.0 110.332 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.71 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 17.9 t70 -64.81 -47.02 79.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.997 176.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -38.11 85.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.124 178.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -70.89 -32.16 69.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.71 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 6.8 p80 -77.85 -24.78 48.48 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.408 174.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.565 ' O ' HG23 ' B' ' 22' ' ' VAL . 55.6 mt -69.59 -51.53 34.39 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.592 175.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -30.59 71.69 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.743 0.306 . . . . 0.0 110.585 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -63.26 -46.98 84.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.277 0.56 . . . . 0.0 109.671 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -62.51 -43.98 97.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.647 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.572 HG12 ' HE3' ' B' ' 26' ' ' LYS . 87.1 t -56.85 -44.62 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.944 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.89 -45.47 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.7 -27.53 61.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.79 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 44.8 tp -68.88 -49.58 57.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.463 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.572 ' HE3' HG12 ' B' ' 22' ' ' VAL . 18.8 ptpt -70.62 -19.72 62.8 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.944 0.402 . . . . 0.0 110.286 178.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -67.41 -47.67 69.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.467 172.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' B' ' 31' ' ' GLU . 7.6 tt -65.89 -47.4 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.168 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.3 -32.2 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.68 -33.3 86.88 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.569 175.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' B' ' 28' ' ' LEU . 45.5 mm-40 -65.9 -19.49 65.89 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.733 0.413 . . . . 0.0 110.789 174.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' B' ' 28' ' ' LEU . 15.9 mmt180 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.3 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 270' ' ' ILE . . . . . 0.72 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 8.5 tt . . . . . 0 C--O 1.225 -0.211 0 CA-C-O 120.788 0.328 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 42.4 t -64.49 -46.4 83.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.203 0.525 . . . . 0.0 109.632 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -59.98 -42.76 94.88 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.562 172.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 273' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' C' ' 270' ' ' ILE . 11.4 tp10 -55.11 -57.72 10.59 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.01 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 274' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 54.1 mt -55.92 -42.08 75.52 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 123.278 0.361 . . . . 0.0 111.237 -175.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 275' ' ' ASP . . . . . 0.616 ' O ' ' HB2' ' C' ' 279' ' ' LYS . 32.8 t70 -58.36 -58.78 6.97 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 276' ' ' HIS . . . . . 0.421 ' HA ' ' HB2' ' C' ' 279' ' ' LYS . 34.8 m80 -71.69 -19.28 62.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.391 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 277' ' ' ALA . . . . . 0.401 ' HA ' ' HA2' ' B' ' 0' ' ' GLY . . . -63.71 -47.48 80.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.825 0.345 . . . . 0.0 110.496 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 278' ' ' LEU . . . . . 0.562 ' CD1' ' HB ' ' A' ' 4' ' ' ILE . 3.8 mm? -87.68 -25.49 23.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.139 0.495 . . . . 0.0 111.178 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 279' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' C' ' 275' ' ' ASP . 1.2 tmtm? -66.69 -20.09 65.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.438 0.637 . . . . 0.0 109.533 172.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.72 -39.12 61.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.868 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 281' ' ' MET . . . . . 0.569 ' SD ' ' HE2' ' B' ' 5' ' ' LYS . 0.6 OUTLIER -111.35 -67.05 1.02 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.182 -165.509 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 282' ' ' THR . . . . . 0.525 ' H ' ' HG2' ' C' ' 281' ' ' MET . 40.2 m 71.43 -37.23 0.39 Allowed 'General case' 0 CA--C 1.536 0.411 0 O-C-N 123.362 0.414 . . . . 0.0 111.089 -170.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 283' ' ' SER . . . . . 0.495 ' H ' ' C ' ' C' ' 281' ' ' MET . 7.9 m -89.9 79.67 6.59 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.398 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 284' ' ' ILE . . . . . 0.664 HD11 HD11 ' D' ' 284' ' ' ILE . 4.9 tt . . . . . 0 C--N 1.32 -0.681 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 171.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.7 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.675 ' HG3' HG22 ' A' ' 4' ' ' ILE . 40.4 tpp -140.95 50.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.632 0.729 . . . . 0.0 109.277 175.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.64 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 59.2 m-20 -57.45 -18.4 18.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.168 -177.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.53 -70.28 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.579 172.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.675 HG22 ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -70.84 -33.38 52.11 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.545 178.183 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.64 ' HB2' ' HA ' ' A' ' 2' ' ' ASP . 10.5 mmmm -59.92 -45.1 93.67 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.828 -177.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 9' ' ' GLN . 61.3 tttp -79.66 -32.01 41.49 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.952 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.547 ' HB3' ' O ' ' C' ' 284' ' ' ILE . 20.6 mtpp -65.74 -39.56 91.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 174.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 ttp -59.65 -38.3 81.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.363 174.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.567 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 54.6 tt0 -55.27 -54.81 38.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.192 176.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.463 ' HA ' HD12 ' A' ' 13' ' ' LEU . 87.0 mtp -65.02 -36.48 84.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.844 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.433 HD21 HD21 ' B' ' 11' ' ' LEU . 55.8 tp -57.93 -49.08 77.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.651 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -67.53 -32.66 73.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.978 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 9' ' ' GLN . 92.0 mt -59.63 -40.7 88.48 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.243 0.544 . . . . 0.0 110.366 176.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.536 ' HA ' ' HD2' ' A' ' 17' ' ' HIS . 2.4 t70 -65.06 -41.72 94.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.621 177.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -34.99 79.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.976 177.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.415 ' HD2' ' HA ' ' A' ' 13' ' ' LEU . 13.7 m-85 -61.1 -49.48 77.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.26 178.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.536 ' HD2' ' HA ' ' A' ' 14' ' ' ASP . 13.8 p80 -70.36 -25.25 63.19 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.3 -178.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.1 mt -71.69 -49.22 41.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.326 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.474 ' HA ' HG12 ' A' ' 22' ' ' VAL . 32.2 tt0 -62.49 -46.49 88.23 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.504 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.77 -40.74 84.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.448 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.18 -46.3 67.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.315 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.532 ' HB ' HG22 ' B' ' 22' ' ' VAL . 12.1 p -66.68 -34.85 72.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.28 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.51 98.53 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.391 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -57.59 -45.82 84.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.5 tp -72.46 -39.61 67.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.536 ' HE2' HD22 ' B' ' 25' ' ' LEU . 71.7 mmtt -58.43 -42.66 87.79 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.19 0.519 . . . . 0.0 109.884 173.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -43.62 95.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.887 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -63.55 -51.19 66.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.979 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.5 p -70.82 -22.76 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.939 0.399 . . . . 0.0 111.177 -177.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.76 -19.62 57.65 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.06 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 C--N 1.325 -0.461 0 C-N-CA 122.601 0.36 . . . . 0.0 111.132 -176.77 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 270' ' ' ILE . . . . . 0.489 HD13 HD13 ' C' ' 270' ' ' ILE . 9.4 tt . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.533 0.206 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 20.8 p -66.92 -41.52 86.94 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.049 178.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -56.43 -45.65 80.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.012 171.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.9 -47.31 85.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.484 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 274' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' D' ' 270' ' ' ILE . 62.6 mt -67.41 -44.86 77.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.767 0.318 . . . . 0.0 110.541 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -57.85 -48.77 78.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.125 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.78 -37.07 86.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.548 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 277' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' D' ' 280' ' ' ASP . . . -76.13 -35.17 59.36 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 278' ' ' LEU . . . . . 0.605 HD12 ' HB ' ' B' ' 4' ' ' ILE . 3.7 mm? -86.81 -30.27 21.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -80.56 -18.29 48.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.982 0.42 . . . . 0.0 110.027 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 280' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' D' ' 277' ' ' ALA . 20.3 t70 -37.56 -67.2 0.2 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.696 -1.138 . . . . 0.0 113.443 175.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 281' ' ' MET . . . . . 0.613 ' HE1' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -80.73 -42.15 22.37 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -169.376 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 282' ' ' THR . . . . . . . . . . . . . 46.3 p 59.27 -28.1 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.343 1.057 . . . . 0.0 113.188 -170.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 283' ' ' SER . . . . . 0.529 ' H ' ' C ' ' D' ' 281' ' ' MET . 49.6 m -92.78 85.68 5.28 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.165 0.507 . . . . 0.0 110.772 175.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 284' ' ' ILE . . . . . 0.664 HD11 HD11 ' C' ' 284' ' ' ILE . 4.3 tt . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' C' ' 277' ' ' ALA . . . . . . . . 0 N--CA 1.482 1.705 0 CA-C-O 119.789 -0.451 . . . . 0.0 112.579 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.7 mtp 58.5 90.54 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.143 0.577 . . . . 0.0 110.559 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.12 -31.93 65.81 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.45 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -47.03 -75.38 0.03 OUTLIER 'General case' 0 C--O 1.238 0.488 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.605 ' HB ' HD12 ' D' ' 278' ' ' LEU . 0.0 OUTLIER -69.04 -25.21 29.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.217 -176.225 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.569 ' HE2' ' SD ' ' C' ' 281' ' ' MET . 0.0 OUTLIER -78.02 -39.34 42.39 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.239 -0.585 . . . . 0.0 112.125 -173.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -66.28 -44.11 84.49 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.455 ' HE3' ' CG2' ' D' ' 284' ' ' ILE . 22.1 mtpp -66.18 -41.96 89.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.726 177.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.4 ttt -49.71 -46.65 50.41 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.349 0.406 . . . . 0.0 111.466 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -64.3 -42.8 96.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.975 0.416 . . . . 0.0 110.275 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 77.0 mtp -63.56 -37.42 87.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.363 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.433 HD21 HD21 ' A' ' 11' ' ' LEU . 37.5 tp -67.9 -40.39 83.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.248 178.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -60.46 -45.78 92.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.816 0.341 . . . . 0.0 110.133 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.45 -34.47 78.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.251 176.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.639 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 8.0 t70 -63.82 -52.06 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.289 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -59.08 -34.45 71.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.046 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -59.23 -50.85 72.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.05 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.639 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 21.3 p80 -73.59 -24.43 60.06 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.526 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 22' ' ' VAL . 95.3 mt -67.32 -48.19 68.31 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 174.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.0 -44.13 97.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.354 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.53 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 95.4 m-20 -59.76 -44.2 93.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.702 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -55.53 -54.9 38.17 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.297 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 22' ' ' VAL . 58.5 t -59.38 -43.14 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.821 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.81 -46.83 86.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.551 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' B' ' 20' ' ' ASN . 11.3 mmp_? -65.12 -35.28 80.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.536 HD22 ' HE2' ' A' ' 26' ' ' LYS . 47.9 tp -69.31 -41.9 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.455 ' HE3' ' CG1' ' B' ' 22' ' ' VAL . 96.7 mttt -66.55 -28.68 68.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.477 177.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.469 ' O ' ' HD2' ' B' ' 27' ' ' LYS . 0.4 OUTLIER -71.28 -45.71 62.52 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.807 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 tp -54.21 -53.3 55.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.337 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.06 -33.77 16.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.171 -177.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.77 -19.63 79.83 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.889 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -63.41 -22.43 66.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.973 0.416 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.43 177.295 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 270' ' ' ILE . . . . . 0.665 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 2.6 tt . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.628 0.251 . . . . 0.0 110.705 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 41.1 m -63.51 -38.64 91.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.612 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -58.86 -46.97 86.52 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.151 0.501 . . . . 0.0 110.002 174.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -57.68 -49.37 76.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.646 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 274' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 47.4 mt -65.33 -44.04 89.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.977 -177.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.0 -48.76 72.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.657 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -67.42 -44.54 78.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.014 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.22 96.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.387 -177.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 278' ' ' LEU . . . . . 0.474 ' HG ' ' SD ' ' A' ' 1' ' ' MET . 4.6 mm? -85.51 -19.66 30.84 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.973 -176.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -76.37 -27.73 56.5 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -44.23 -57.51 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.4 -1.273 . . . . 0.0 113.654 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 281' ' ' MET . . . . . 0.711 ' HG3' HG23 ' C' ' 284' ' ' ILE . 0.0 OUTLIER -81.26 -47.82 12.86 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.463 -172.123 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 282' ' ' THR . . . . . 0.689 ' H ' ' HG2' ' C' ' 281' ' ' MET . 7.3 m 71.8 -45.33 0.62 Allowed 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.847 -1.07 . . . . 0.0 112.449 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 39.8 m -119.09 71.61 0.86 Allowed 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 120.844 0.354 . . . . 0.0 111.604 -176.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 284' ' ' ILE . . . . . 0.711 HG23 ' HG3' ' C' ' 281' ' ' MET . 29.9 pt . . . . . 0 C--O 1.252 1.198 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.901 168.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 112.744 -0.142 . . . . 0.0 112.744 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.519 ' HB3' ' NZ ' ' A' ' 5' ' ' LYS . 51.7 tpp -92.04 75.71 5.49 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 117.333 0.567 . . . . 0.0 109.59 176.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 4.8 p-10 -78.94 -21.56 47.05 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.55 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.456 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -53.24 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.229 -176.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.611 HD12 ' HB ' ' B' ' 4' ' ' ILE . 0.6 OUTLIER -69.58 -36.48 71.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.625 -178.022 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.519 ' NZ ' ' HB3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -62.16 -45.34 93.85 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.349 -0.54 . . . . 0.0 112.08 -176.7 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 12.4 mptt -71.79 -34.95 69.83 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.545 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -63.76 -42.0 97.89 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.692 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.627 ' SD ' ' HE3' ' D' ' 281' ' ' MET . 19.0 ttp -55.71 -46.43 77.72 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 120.719 0.295 . . . . 0.0 110.99 177.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.4 ' O ' HD23 ' A' ' 13' ' ' LEU . 24.3 tt0 -58.72 -52.63 64.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.955 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.1 ttm -59.77 -40.32 87.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.235 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.405 HD12 ' C ' ' C' ' 284' ' ' ILE . 8.1 tt -59.6 -57.51 12.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.812 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 12' ' ' LYS . 13.4 mmmm -66.9 -36.21 81.75 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.179 -176.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 9' ' ' GLN . 3.8 mm? -60.54 -43.0 97.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.015 0.436 . . . . 0.0 109.862 173.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.755 ' HA ' ' ND1' ' A' ' 17' ' ' HIS . 28.1 t0 -65.57 -42.28 91.98 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.098 177.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -39.1 84.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.395 177.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -61.28 -39.24 89.68 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.755 ' ND1' ' HA ' ' A' ' 14' ' ' ASP . 7.1 m80 -62.89 -56.65 15.39 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -52.28 -48.6 65.23 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.378 -1.283 . . . . 0.0 111.197 -179.267 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -54.96 -54.48 42.3 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 122.923 0.489 . . . . 0.0 110.779 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.22 -33.77 76.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.855 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.74 -46.03 87.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.337 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.706 HG22 ' HB ' ' B' ' 22' ' ' VAL . 80.5 t -60.46 -43.53 94.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.49 -48.84 80.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.924 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -58.47 -47.34 84.38 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.873 HD11 HG11 ' B' ' 29' ' ' VAL . 19.3 tp -65.9 -42.35 90.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.149 -175.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -59.03 -41.27 87.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.893 0.378 . . . . 0.0 111.047 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -69.25 -44.96 70.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.056 0.455 . . . . 0.0 110.107 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.37 -49.0 78.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.78 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.68 HG11 HD11 ' B' ' 25' ' ' LEU . 11.5 p -64.08 -36.09 75.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.937 -177.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.25 -19.48 76.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.986 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--N 1.327 -0.399 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.44 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 270' ' ' ILE . . . . . 0.653 ' O ' ' HG ' ' D' ' 274' ' ' LEU . 14.0 tt . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.276 0.084 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 46.6 t -66.07 -38.02 87.27 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.45 -42.24 98.45 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.94 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 273' ' ' GLU . . . . . 0.554 ' HG3' ' N ' ' D' ' 274' ' ' LEU . 0.0 OUTLIER -68.36 -37.49 80.5 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.6 -179.371 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 274' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' D' ' 270' ' ' ILE . 77.5 mt -54.53 -49.94 69.04 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.409 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 275' ' ' ASP . . . . . 0.483 ' O ' ' HD3' ' D' ' 279' ' ' LYS . 20.4 t70 -70.37 -50.04 42.92 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.398 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -55.48 -52.24 64.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.356 -177.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 277' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' D' ' 281' ' ' MET . . . -70.48 -45.97 64.66 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -173.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 278' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' D' ' 278' ' ' LEU . 4.6 mm? -67.57 -23.54 65.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.022 0.439 . . . . 0.0 110.646 -178.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 279' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' D' ' 275' ' ' ASP . 1.6 mptm? -85.67 -24.22 27.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.882 174.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -63.81 -51.1 66.27 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 121.827 0.822 . . . . 0.0 109.567 171.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 281' ' ' MET . . . . . 0.627 ' HE3' ' SD ' ' A' ' 8' ' ' MET . 12.9 ptm -86.09 47.87 1.52 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.242 -1.344 . . . . 0.0 111.708 -172.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 282' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.93 31.18 0.05 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.131 0.491 . . . . 0.0 111.383 174.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 283' ' ' SER . . . . . 0.505 ' H ' ' C ' ' D' ' 281' ' ' MET . 7.1 p -130.25 10.94 5.39 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.687 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 284' ' ' ILE . . . . . 0.868 HG13 HD22 ' B' ' 11' ' ' LEU . 5.5 tt . . . . . 0 C--O 1.242 0.707 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 171.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.42 ' SD ' HD22 ' C' ' 274' ' ' LEU . 63.5 mtp -124.94 91.59 3.47 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -62.23 -31.7 72.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.019 -174.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -44.95 -68.97 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.921 0.763 . . . . 0.0 111.476 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.611 ' HB ' HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -58.86 -33.51 49.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.928 -178.408 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -70.35 -52.76 20.27 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -171.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 36.5 tttp -73.46 -30.87 63.45 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.139 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.741 ' HE3' HG23 ' D' ' 284' ' ' ILE . 26.6 mtpp -68.02 -39.01 83.22 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 174.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.528 ' SD ' ' HE3' ' C' ' 281' ' ' MET . 1.4 ttt -55.73 -45.79 77.91 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.587 172.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -56.38 -50.1 72.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.464 -176.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 36.2 ttm -69.67 -35.13 74.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.537 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.868 HD22 HG13 ' D' ' 284' ' ' ILE . 61.1 tp -61.97 -50.7 71.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.188 176.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.848 ' HE2' ' HA ' ' B' ' 12' ' ' LYS . 10.0 mmpt? -66.53 -37.24 84.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.778 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.88 -39.67 86.09 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.06 0.457 . . . . 0.0 110.086 173.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.782 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 20.5 t70 -65.6 -45.84 81.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.318 176.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.94 -44.15 97.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.95 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -70.17 -35.66 74.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.782 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 8.2 p80 -70.26 -29.83 66.72 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.774 178.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 53.8 tp -73.06 -40.69 64.86 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.886 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.36 -42.76 99.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.08 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -61.41 -41.44 97.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.036 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -55.52 -55.41 32.23 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.978 176.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.706 ' HB ' HG22 ' A' ' 22' ' ' VAL . 11.5 p -71.11 -29.13 35.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.186 -176.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.97 -48.46 73.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.719 0.295 . . . . 0.0 110.754 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -65.76 -37.14 85.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.038 0.447 . . . . 0.0 110.557 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.68 HD11 HG11 ' A' ' 29' ' ' VAL . 21.3 tp -67.4 -43.76 80.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.31 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.443 ' HA ' HG12 ' B' ' 29' ' ' VAL . 85.7 mttt -63.38 -29.22 70.56 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.095 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -69.47 -46.37 66.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.213 0.53 . . . . 0.0 109.853 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -66.06 -52.71 46.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.073 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.873 HG11 HD11 ' A' ' 25' ' ' LEU . 7.3 p -73.58 -24.04 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.001 0.429 . . . . 0.0 110.641 -178.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.67 -24.8 71.52 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.027 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.79 -37.54 79.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.07 0.462 . . . . 0.0 109.921 174.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.5 ' NH2' ' HA ' ' A' ' 29' ' ' VAL . 4.4 ptm180 . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.695 178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 270' ' ' ILE . . . . . 0.496 ' O ' HD13 ' C' ' 274' ' ' LEU . 2.9 tt . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.563 0.221 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 56.8 m -61.24 -45.3 95.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.674 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -55.06 -44.99 75.28 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 273' ' ' GLU . . . . . 0.454 ' HG3' ' HA2' ' B' ' 0' ' ' GLY . 13.7 tp10 -66.84 -37.2 84.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.569 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 274' ' ' LEU . . . . . 0.522 ' HG ' ' HE1' ' A' ' 1' ' ' MET . 0.5 OUTLIER -65.97 -48.5 71.04 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 176.114 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 275' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' C' ' 279' ' ' LYS . 76.2 m-20 -52.81 -51.15 61.92 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -52.7 -58.13 7.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.016 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 277' ' ' ALA . . . . . 0.498 ' HB2' ' HA3' ' B' ' 0' ' ' GLY . . . -58.04 -37.93 75.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.246 -174.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 278' ' ' LEU . . . . . 0.571 ' CD1' ' HB ' ' A' ' 4' ' ' ILE . 3.5 mm? -81.38 -22.68 38.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -177.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 279' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' C' ' 275' ' ' ASP . 29.7 mtpp -84.7 -19.5 32.68 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.727 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -61.94 -30.63 71.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.591 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 281' ' ' MET . . . . . 0.502 ' SD ' ' HA ' ' C' ' 278' ' ' LEU . 0.8 OUTLIER -67.41 -78.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -174.239 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 69.2 p 63.33 -26.47 0.07 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.852 1.261 . . . . 0.0 113.143 -176.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 283' ' ' SER . . . . . 0.474 ' H ' ' C ' ' C' ' 281' ' ' MET . 31.9 m -77.39 -8.85 58.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.626 0.726 . . . . 0.0 109.055 170.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 284' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' C' ' 281' ' ' MET . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.151 0 CA-C-N 113.941 -1.482 . . . . 0.0 107.211 170.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.967 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.522 ' HE1' ' HG ' ' C' ' 274' ' ' LEU . 72.8 mmm -71.47 88.84 0.92 Allowed 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 171.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -53.61 -38.6 64.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.532 -170.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -45.41 -62.1 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.596 0.56 . . . . 0.0 111.717 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' C' ' 278' ' ' LEU . 0.5 OUTLIER -71.51 -34.78 54.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.069 -177.326 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.697 ' HE2' ' SD ' ' D' ' 281' ' ' MET . 20.5 mmtp -76.59 -32.76 58.32 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.288 -174.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -66.94 -43.72 82.46 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -60.49 -50.67 72.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.33 173.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.8 ttp -54.72 -39.8 68.58 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.743 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.512 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 35.0 tt0 -58.82 -57.15 14.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.431 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 62.8 mtt -63.92 -33.39 75.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.789 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.915 HD21 HD21 ' B' ' 11' ' ' LEU . 32.6 tp -59.04 -55.04 40.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.068 177.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -63.67 -35.46 80.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.055 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 9' ' ' GLN . 92.5 mt -63.67 -42.69 98.02 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.893 0.378 . . . . 0.0 110.268 176.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.717 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 22.2 t70 -66.81 -46.16 76.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.471 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -41.64 91.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.674 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -67.27 -44.04 80.35 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.399 -175.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.717 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 16.2 p80 -69.42 -31.38 69.69 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.241 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.0 tp -70.91 -42.92 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.059 0.457 . . . . 0.0 110.16 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.66 -33.74 76.6 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.351 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -72.78 -40.88 65.59 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -60.75 -51.08 70.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.852 176.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.773 ' HB ' HG22 ' B' ' 22' ' ' VAL . 15.0 p -64.69 -40.82 90.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.576 -175.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.82 81.74 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.321 0.581 . . . . 0.0 110.316 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -66.23 -43.86 85.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.444 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 tp -68.82 -41.39 78.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.731 -176.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.687 ' HA ' HG12 ' A' ' 29' ' ' VAL . 16.9 ptpt -71.91 -24.51 61.65 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.703 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 4.5 ttmp? -69.03 -43.46 74.68 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 171.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 tp -59.6 -48.88 79.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.273 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 26' ' ' LYS . 10.1 p -71.84 -19.76 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 110.58 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.98 -19.88 74.26 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.863 174.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 C--N 1.33 -0.267 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 178.811 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 270' ' ' ILE . . . . . 0.547 ' O ' HD13 ' D' ' 270' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.383 0 CA-C-O 120.559 0.219 . . . . 0.0 110.517 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 60.5 m -65.06 -45.07 86.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.989 0.423 . . . . 0.0 110.368 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.4 -36.38 83.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.384 0.611 . . . . 0.0 109.749 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.18 -55.81 21.97 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.073 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 274' ' ' LEU . . . . . 0.554 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 4.6 pp -63.68 -31.5 72.69 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.04 -176.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 275' ' ' ASP . . . . . 0.48 ' N ' HD12 ' D' ' 274' ' ' LEU . 12.4 t70 -61.63 -55.0 35.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.149 174.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -67.28 -40.44 86.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 -177.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -64.46 -47.35 79.35 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -175.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 278' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.1 -25.66 39.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.726 0.298 . . . . 0.0 111.358 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -85.29 -19.6 31.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.263 0.554 . . . . 0.0 110.194 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -38.47 88.73 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 122.093 0.949 . . . . 0.0 110.61 174.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 281' ' ' MET . . . . . 0.697 ' SD ' ' HE2' ' A' ' 5' ' ' LYS . 5.9 ptm -100.76 44.38 1.02 Allowed 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.169 -1.378 . . . . 0.0 112.246 -165.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 282' ' ' THR . . . . . . . . . . . . . 25.2 p -69.83 31.32 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.818 173.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 283' ' ' SER . . . . . 0.488 ' H ' ' C ' ' D' ' 281' ' ' MET . 50.9 m -145.11 17.52 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.751 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 284' ' ' ILE . . . . . 0.528 ' OXT' ' HB3' ' B' ' 7' ' ' LYS . 11.7 tt . . . . . 0 C--O 1.242 0.675 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . 0.498 ' HA3' ' HB2' ' C' ' 277' ' ' ALA . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.554 ' SD ' ' HB2' ' D' ' 274' ' ' LEU . 76.0 mtm -88.95 96.68 10.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.149 0.499 . . . . 0.0 109.924 177.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . 0.653 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 4.4 p-10 -65.92 -18.49 65.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.483 -174.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.12 -63.75 0.91 Allowed 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.381 0.426 . . . . 0.0 111.923 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.534 HG13 ' CD1' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -74.62 -28.36 21.96 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.351 179.246 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.653 ' HB2' ' HA ' ' B' ' 2' ' ' ASP . 0.2 OUTLIER -57.77 -49.3 77.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.893 0.378 . . . . 0.0 110.795 178.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -65.83 -49.17 69.17 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.977 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.528 ' HB3' ' OXT' ' D' ' 284' ' ' ILE . 31.5 mtmm -65.07 -37.39 87.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.205 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.1 ttt -57.13 -41.51 79.22 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 122.495 0.318 . . . . 0.0 110.869 174.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 51.2 tt0 -60.23 -49.46 77.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.0 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 65.2 mtt -64.32 -43.31 95.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.318 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.915 HD21 HD21 ' A' ' 11' ' ' LEU . 21.0 tp -53.93 -58.28 7.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.822 177.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.461 ' HE2' ' HB3' ' C' ' 283' ' ' SER . 0.8 OUTLIER -66.82 -30.43 70.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.167 -175.146 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 78.1 mt -69.96 -36.55 75.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.891 0.377 . . . . 0.0 110.443 175.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.636 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 27.9 t70 -67.34 -43.3 81.89 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 175.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.63 -36.85 84.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.585 177.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -63.24 -47.86 80.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.913 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.636 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 14.6 p80 -76.06 -21.3 56.93 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.026 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' B' ' 21' ' ' GLU . 7.5 tp -75.34 -37.77 60.52 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -55.97 -46.93 78.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.681 172.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -63.91 -39.95 95.36 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.208 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.556 ' HG3' HG21 ' A' ' 22' ' ' VAL . 6.2 tp10 -53.03 -52.75 57.46 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.469 174.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.773 HG22 ' HB ' ' A' ' 22' ' ' VAL . 47.2 t -65.52 -45.0 93.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.672 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.88 74.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.617 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -61.67 -42.48 98.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.042 0.449 . . . . 0.0 111.095 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.45 HD21 ' N ' ' A' ' 26' ' ' LYS . 64.6 tp -64.5 -52.86 55.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.216 -177.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.453 ' HD2' HG12 ' B' ' 22' ' ' VAL . 11.4 ptmm? -69.16 -24.72 64.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.071 0.462 . . . . 0.0 109.995 -177.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' B' ' 27' ' ' LYS . 35.7 ttmt -65.67 -46.05 80.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.849 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 46.4 tp -64.48 -44.96 89.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.404 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 63.0 t -68.54 -41.66 83.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.402 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.22 -25.2 75.08 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.899 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -70.87 -19.54 62.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.358 . . . . 0.0 111.187 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.481 -0.771 . . . . 0.0 111.149 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 270' ' ' ILE . . . . . 0.607 HD11 HD11 ' D' ' 274' ' ' LEU . 12.7 tt . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 25.7 p -71.75 -39.03 70.3 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.753 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -74.73 -26.73 60.0 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 273' ' ' GLU . . . . . 0.451 ' HB3' ' O ' ' C' ' 270' ' ' ILE . 9.0 tp10 -57.7 -50.38 73.41 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 172.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 274' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 73.7 mt -59.91 -46.22 90.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.748 176.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.11 -55.62 32.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.029 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -65.41 -28.61 69.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 277' ' ' ALA . . . . . 0.489 ' HB2' ' HA2' ' B' ' 0' ' ' GLY . . . -65.15 -44.47 88.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.529 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 278' ' ' LEU . . . . . 0.431 ' HG ' ' HB3' ' A' ' 3' ' ' ALA . 4.3 mm? -86.01 -26.73 25.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.426 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -75.87 -20.75 57.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.615 0.245 . . . . 0.0 110.726 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -47.78 -56.42 7.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.585 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 281' ' ' MET . . . . . 0.414 ' HG2' ' SD ' ' B' ' 8' ' ' MET . 0.0 OUTLIER -103.87 -53.23 2.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.688 -175.286 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 4.6 t 46.05 23.63 0.2 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.023 0.929 . . . . 0.0 111.688 -175.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 14.7 m -121.6 63.76 0.9 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 284' ' ' ILE . . . . . 0.561 HG23 ' HE2' ' A' ' 7' ' ' LYS . 4.1 tt . . . . . 0 C--O 1.248 0.983 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.15 -175.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . 0.403 ' O ' ' HD3' ' A' ' 5' ' ' LYS . . . . . . . . 0 N--CA 1.485 1.964 0 CA-C-O 119.984 -0.342 . . . . 0.0 112.611 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.485 ' HB3' HG22 ' A' ' 4' ' ' ILE . 3.3 mpp? 54.38 88.4 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.869 0.868 . . . . 0.0 112.53 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -68.59 -23.82 64.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.117 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.431 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -56.02 -63.44 1.18 Allowed 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.334 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.591 HD12 ' HB ' ' B' ' 4' ' ' ILE . 0.7 OUTLIER -69.11 -41.12 81.35 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.525 -177.729 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.595 ' HE2' ' SD ' ' D' ' 281' ' ' MET . 0.7 OUTLIER -66.72 -40.37 88.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -174.701 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -61.96 -51.63 67.31 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.25 0.547 . . . . 0.0 110.162 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.561 ' HE2' HG23 ' C' ' 284' ' ' ILE . 37.0 mtmm -75.01 -22.6 58.4 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.248 -177.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.469 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 35.6 ttp -60.87 -48.63 80.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 0.0 110.491 173.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.404 ' O ' HD23 ' A' ' 13' ' ' LEU . 30.0 tt0 -61.61 -43.46 98.81 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.6 ttp -57.8 -49.62 76.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.218 174.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.25 -55.66 30.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.685 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 8' ' ' MET . 14.1 mmmm -63.45 -36.03 82.4 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.131 -0.227 . . . . 0.0 110.792 -175.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 9' ' ' GLN . 3.2 mm? -62.42 -38.02 88.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.055 0.455 . . . . 0.0 110.299 175.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.758 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 35.7 t70 -65.87 -41.4 91.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.919 175.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -63.56 -46.18 87.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.426 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -58.66 -47.93 82.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.854 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.758 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 3.7 p80 -70.2 -19.83 63.14 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.295 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.8 tp -78.09 -44.65 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 175.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.14 -49.33 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.369 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -66.54 -37.94 86.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.107 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.647 ' HB2' ' O ' ' A' ' 17' ' ' HIS . 22.6 tt0 -63.96 -47.64 79.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.779 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.56 ' HB ' HG22 ' B' ' 22' ' ' VAL . 12.9 p -66.59 -33.28 62.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.74 0.305 . . . . 0.0 110.563 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.72 -46.65 74.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.118 0.485 . . . . 0.0 110.482 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -70.47 -29.94 66.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.93 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 tp -66.57 -45.84 77.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.691 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HB3' HD21 ' B' ' 25' ' ' LEU . 17.1 ptpt -72.9 -21.49 60.9 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.781 0.324 . . . . 0.0 110.506 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 62.9 tttp -74.1 -37.81 64.03 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 172.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.6 -47.34 81.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.323 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.762 ' HB ' HG22 ' B' ' 29' ' ' VAL . 14.9 p -73.5 -35.94 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.711 0.291 . . . . 0.0 110.646 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.88 -19.42 79.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.344 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.556 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 5.1 tp10 . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 110.348 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 270' ' ' ILE . . . . . 0.714 ' O ' ' HG ' ' D' ' 274' ' ' LEU . 12.4 tt . . . . . 0 C--O 1.225 -0.224 0 N-CA-C 111.277 0.103 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 27.2 t -62.68 -48.04 81.02 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -56.78 -44.37 81.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.709 173.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.58 -53.33 57.78 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.263 -176.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 274' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' D' ' 270' ' ' ILE . 16.8 mt -55.97 -52.19 65.06 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.992 0.425 . . . . 0.0 110.758 -177.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 275' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' D' ' 279' ' ' LYS . 14.5 t70 -62.66 -51.54 66.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.685 -176.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -71.87 -34.51 69.26 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.323 -175.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 277' ' ' ALA . . . . . 0.552 ' HA ' ' OD2' ' D' ' 280' ' ' ASP . . . -60.75 -48.02 83.68 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.013 0.435 . . . . 0.0 111.157 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 278' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' D' ' 278' ' ' LEU . 4.1 mm? -75.7 -19.56 59.02 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.17 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 279' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' D' ' 275' ' ' ASP . 1.9 tppp? -77.99 -32.7 51.36 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 176.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 280' ' ' ASP . . . . . 0.552 ' OD2' ' HA ' ' D' ' 277' ' ' ALA . 71.6 m-20 -51.37 -57.89 7.71 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.816 0.817 . . . . 0.0 110.865 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 281' ' ' MET . . . . . 0.669 ' HG3' ' H ' ' D' ' 282' ' ' THR . 9.6 ptm -70.05 -75.47 0.12 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.944 -1.48 . . . . 0.0 112.784 -171.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 282' ' ' THR . . . . . 0.669 ' H ' ' HG3' ' D' ' 281' ' ' MET . 16.5 p 47.1 23.1 0.26 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.201 0.6 . . . . 0.0 112.142 -171.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 38.1 t -131.21 71.81 1.48 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.586 0.708 . . . . 0.0 109.577 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 284' ' ' ILE . . . . . 0.581 HG23 ' HB3' ' B' ' 7' ' ' LYS . 6.6 tt . . . . . 0 C--O 1.246 0.909 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.398 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . 0.489 ' HA2' ' HB2' ' C' ' 277' ' ' ALA . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.569 ' H ' ' HD3' ' B' ' 5' ' ' LYS . 94.3 mmm -119.56 108.76 14.9 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -41.71 -54.44 3.3 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.131 0.972 . . . . 0.0 113.293 -172.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.55 -61.88 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -173.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.591 ' HB ' HD12 ' A' ' 4' ' ' ILE . 0.8 OUTLIER -68.69 -37.72 77.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.511 -176.267 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.569 ' HD3' ' H ' ' B' ' 1' ' ' MET . 0.2 OUTLIER -56.91 -56.91 15.63 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.072 0.463 . . . . 0.0 111.227 -178.164 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -65.53 -45.89 81.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.473 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.581 ' HB3' HG23 ' D' ' 284' ' ' ILE . 21.0 mtmm -69.09 -34.31 74.91 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.414 ' SD ' ' HG2' ' C' ' 281' ' ' MET . 16.7 ttt -59.86 -44.14 94.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.5 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -64.34 -42.2 96.37 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.293 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 66.8 mtt -61.72 -46.71 88.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.952 0.406 . . . . 0.0 109.996 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 tp -51.43 -59.08 4.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.747 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -62.13 -41.05 97.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.979 -173.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.69 -39.26 77.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.992 0.425 . . . . 0.0 110.868 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.774 ' HA ' ' CE1' ' B' ' 17' ' ' HIS . 30.0 t0 -67.41 -44.3 79.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.943 0.402 . . . . 0.0 110.228 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . 0.429 HD22 ' N ' ' B' ' 15' ' ' ASN . 0.9 OUTLIER -64.72 -23.94 67.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.264 176.33 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.07 -41.71 85.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.757 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.774 ' CE1' ' HA ' ' B' ' 14' ' ' ASP . 4.6 m80 -62.85 -48.67 78.05 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 174.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.496 ' O ' HG23 ' B' ' 22' ' ' VAL . 9.2 mp -49.5 -59.4 3.78 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.874 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -69.1 -26.02 64.71 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.108 -177.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.414 ' HB3' ' O ' ' B' ' 17' ' ' HIS . 9.3 t30 -55.51 -43.57 75.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 175.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.73 -43.8 71.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.26 176.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.56 HG22 ' HB ' ' A' ' 22' ' ' VAL . 46.2 t -56.28 -46.3 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.029 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.43 89.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.367 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.6 mtp85 -71.44 -29.5 64.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.869 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.554 ' O ' HG23 ' B' ' 29' ' ' VAL . 46.9 tp -73.61 -48.35 33.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.673 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -61.24 -32.99 72.79 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.973 0.416 . . . . 0.0 109.952 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -69.16 -42.4 75.97 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.166 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 tp -63.6 -41.61 98.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.955 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.762 HG22 ' HB ' ' A' ' 29' ' ' VAL . 50.5 t -65.1 -46.69 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.699 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.41 -19.86 79.75 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.527 -178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -62.11 -44.09 97.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.157 0.503 . . . . 0.0 110.541 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.03 -175.618 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 270' ' ' ILE . . . . . 0.494 HD13 ' O ' ' C' ' 270' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.414 0 CA-C-O 120.728 0.299 . . . . 0.0 110.329 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 271' ' ' SER . . . . . 0.558 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 58.7 m -68.96 -47.91 64.47 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.921 0.391 . . . . 0.0 110.464 177.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -72.99 -19.31 61.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.981 0.42 . . . . 0.0 110.166 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -64.67 -58.27 6.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.206 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 274' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' C' ' 271' ' ' SER . 4.6 pp -61.04 -30.3 70.23 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.516 -178.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -57.7 -62.22 1.95 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.371 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -67.84 -32.43 72.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.244 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 277' ' ' ALA . . . . . 0.512 ' HB1' ' HD3' ' B' ' 5' ' ' LYS . . . -64.44 -46.79 81.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.9 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 278' ' ' LEU . . . . . 0.641 HD13 ' HB3' ' A' ' 3' ' ' ALA . 23.2 mt -86.45 -24.54 25.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.401 -176.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -79.95 -19.85 47.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.931 0.396 . . . . 0.0 110.428 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -55.99 -40.04 72.72 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.795 0.807 . . . . 0.0 109.553 169.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 281' ' ' MET . . . . . 0.638 ' HE1' HG13 ' B' ' 4' ' ' ILE . 5.5 ptp -98.13 64.09 1.64 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.975 -178.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 14.0 t -82.38 6.06 18.33 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.501 172.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 11.7 m -125.91 12.37 7.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.967 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 284' ' ' ILE . . . . . 0.591 ' HB ' ' HB2' ' C' ' 281' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.946 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 0' ' ' GLY . . . . . 0.469 ' HA3' ' HG2' ' D' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.84 0 N-CA-C 112.205 -0.358 . . . . 0.0 112.205 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.507 ' SD ' HD21 ' D' ' 278' ' ' LEU . 23.1 mtt -75.64 83.55 2.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.247 0.546 . . . . 0.0 110.596 178.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -70.17 -33.51 71.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.506 -175.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.641 ' HB3' HD13 ' C' ' 278' ' ' LEU . . . -57.69 -62.51 1.75 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.794 -175.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.65 HD12 ' HB ' ' B' ' 4' ' ' ILE . 1.3 tt -65.61 -39.43 84.97 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.0 -176.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -59.7 -51.86 67.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.733 0.302 . . . . 0.0 111.04 -176.63 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -67.95 -44.38 76.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.704 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HB3' HG23 ' C' ' 284' ' ' ILE . 22.4 mtmm -67.7 -32.33 72.89 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.054 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.2 ttp -54.7 -48.47 72.41 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.015 0.436 . . . . 0.0 110.08 172.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -58.58 -53.12 61.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.438 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 90.6 mtp -60.34 -47.33 86.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.163 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.656 HD21 HD21 ' B' ' 11' ' ' LEU . 57.5 tp -60.38 -49.96 75.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.373 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -63.81 -39.01 93.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.001 -175.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 13' ' ' LEU . 4.4 mm? -73.34 -36.87 66.24 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.011 0.434 . . . . 0.0 110.868 177.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.456 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 37.3 t70 -65.33 -49.5 69.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.216 0.531 . . . . 0.0 110.005 178.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.487 ' HA ' ' HB2' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -67.08 -24.86 66.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.448 177.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.59 -45.74 91.5 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.491 176.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.456 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 25.4 p80 -75.08 -19.83 59.78 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.163 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HB2' ' HA ' ' A' ' 15' ' ' ASN . 5.2 mp -69.16 -55.32 10.99 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.762 0.315 . . . . 0.0 110.557 172.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.552 ' HA ' HG12 ' A' ' 22' ' ' VAL . 16.8 pt-20 -70.56 -26.47 63.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.018 -177.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.631 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 28.1 t-20 -72.73 -41.28 65.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.42 -44.11 97.7 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.532 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 19' ' ' GLU . 12.5 p -72.51 -26.62 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.526 178.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.498 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . . . -66.84 -41.41 87.46 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.161 0.505 . . . . 0.0 110.312 175.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.631 ' HG2' ' O ' ' A' ' 20' ' ' ASN . 25.0 mmm180 -64.08 -39.81 94.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.612 176.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.712 HD11 HG21 ' B' ' 29' ' ' VAL . 2.9 tm? -72.63 -43.31 63.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.009 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.498 ' HG2' ' HA ' ' A' ' 23' ' ' ALA . 14.1 ptmm? -65.97 -30.13 70.64 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.254 -0.178 . . . . 0.0 111.048 -177.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -76.08 -39.54 55.15 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.932 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.68 -52.05 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.453 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG11 HD11 ' B' ' 25' ' ' LEU . 11.7 p -74.95 -27.77 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 111.072 -178.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.79 -34.86 55.67 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.865 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 C--N 1.325 -0.475 0 CA-C-O 120.74 0.305 . . . . 0.0 110.259 179.079 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 270' ' ' ILE . . . . . 0.419 HD13 HG23 ' C' ' 270' ' ' ILE . 15.1 tt . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 120.619 0.247 . . . . 0.0 111.358 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 9.8 t -68.93 -43.47 75.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.69 -49.87 71.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.264 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 273' ' ' GLU . . . . . 0.469 ' HG2' ' HA3' ' A' ' 0' ' ' GLY . 29.2 tp10 -57.17 -53.23 60.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.605 -177.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 274' ' ' LEU . . . . . 0.419 ' O ' HD23 ' D' ' 278' ' ' LEU . 8.7 mp -61.55 -45.93 92.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.539 -175.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -65.07 -44.35 89.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.022 0.439 . . . . 0.0 110.471 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -62.87 -50.3 71.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.69 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -61.61 -30.15 70.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.38 -177.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 278' ' ' LEU . . . . . 0.507 HD21 ' SD ' ' A' ' 1' ' ' MET . 4.3 mm? -85.14 -20.43 30.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.769 0.318 . . . . 0.0 111.212 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 279' ' ' LYS . . . . . 0.499 ' O ' HG23 ' D' ' 282' ' ' THR . 8.5 tppt? -82.21 -38.32 24.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.119 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -49.25 -48.77 45.5 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.199 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 281' ' ' MET . . . . . 0.435 ' HB3' ' HE2' ' D' ' 281' ' ' MET . 26.4 mtp -55.15 -67.06 0.3 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.596 -168.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 282' ' ' THR . . . . . 0.499 HG23 ' O ' ' D' ' 279' ' ' LYS . 20.7 p 46.81 26.13 0.53 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.17 0.588 . . . . 0.0 112.544 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 40.2 m -155.69 68.45 0.65 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.138 0.494 . . . . 0.0 109.758 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 284' ' ' ILE . . . . . . . . . . . . . 9.0 tt . . . . . 0 C--O 1.253 1.287 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.319 178.249 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.892 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.429 ' HG3' HG22 ' B' ' 4' ' ' ILE . 35.7 tpp -62.83 105.18 0.63 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.014 0.435 . . . . 0.0 110.166 174.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -47.37 -54.44 11.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.71 -173.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.42 -58.62 5.75 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -172.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.65 ' HB ' HD12 ' A' ' 4' ' ' ILE . 1.8 tp -78.07 -31.34 16.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.546 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.473 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.884 ' HA ' ' HE2' ' B' ' 5' ' ' LYS . 0.1 OUTLIER -65.06 -47.97 75.45 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.921 -0.487 . . . . 0.0 111.139 -178.325 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -72.29 -40.4 67.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.361 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -66.7 -30.85 71.2 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.768 175.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 41.0 ttp -61.33 -43.53 98.72 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.555 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 57.0 tt0 -59.85 -46.52 89.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.217 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 91.8 mtp -68.62 -36.95 79.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.067 0.46 . . . . 0.0 110.73 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 11' ' ' LEU . 44.8 tp -60.68 -51.27 70.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.63 176.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -61.1 -34.43 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.714 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 93.6 mt -60.38 -47.14 87.37 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.007 0.432 . . . . 0.0 110.348 173.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.733 ' HA ' ' HD2' ' B' ' 17' ' ' HIS . 37.9 t70 -63.22 -50.27 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.474 178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -56.84 -44.78 82.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.725 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.46 -44.06 83.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' HIS . . . . . 0.733 ' HD2' ' HA ' ' B' ' 14' ' ' ASP . 3.1 p80 -70.43 -29.06 65.55 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.863 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.531 ' O ' HG23 ' B' ' 22' ' ' VAL . 62.0 mt -67.01 -50.97 60.5 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 173.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -56.64 -36.97 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.946 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.576 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 24.0 t-20 -70.58 -48.13 56.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.97 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.11 -49.25 66.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.645 176.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 18' ' ' LEU . 57.6 t -60.4 -46.11 95.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.434 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.19 99.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.395 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' B' ' 20' ' ' ASN . 36.5 mmt180 -63.39 -44.68 93.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.031 0.443 . . . . 0.0 110.445 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.429 HD11 HG11 ' A' ' 29' ' ' VAL . 38.7 tp -65.54 -45.44 83.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.421 -179.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -68.86 -24.69 64.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.087 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.746 ' HE2' ' HA ' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -67.89 -51.33 49.3 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 174.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.57 -47.88 80.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.517 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.712 HG21 HD11 ' A' ' 25' ' ' LEU . 95.8 t -65.91 -38.13 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.862 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.58 -38.12 94.48 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.797 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -19.65 63.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.018 -0.992 . . . . 0.0 111.111 -176.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 248' ' ' GLY . . . . . 0.438 ' HA3' HG21 ' D' ' 253' ' ' ILE . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 249' ' ' CYS . . . . . 0.65 ' HA ' ' HB3' ' D' ' 249' ' ' CYS . 14.4 t -166.26 -170.43 1.68 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 -176.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . -71.09 81.78 0.45 Allowed Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -151.53 -73.85 0.15 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 19.7 m -133.58 36.71 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.072 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 253' ' ' ILE . . . . . 0.571 ' HB ' ' O ' ' C' ' 249' ' ' CYS . 11.3 tp -74.77 -25.55 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.348 -176.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.79 -47.71 83.81 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.245 176.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.4 -41.04 75.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.616 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . 0.435 ' HG ' ' CD2' ' D' ' 260' ' ' LEU . 3.9 mp -65.1 -52.33 56.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.427 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 257' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' C' ' 253' ' ' ILE . 44.0 mt-10 -61.64 -44.43 97.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.943 0.401 . . . . 0.0 110.58 -179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -54.54 -59.93 4.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.576 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 259' ' ' GLU . . . . . 0.451 ' O ' ' HG2' ' C' ' 263' ' ' GLN . 22.8 tt0 -58.59 -42.66 88.59 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.208 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 260' ' ' LEU . . . . . 0.625 HD13 ' HA ' ' D' ' 260' ' ' LEU . 25.3 tp -57.07 -47.76 80.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.822 0.344 . . . . 0.0 111.227 -178.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 261' ' ' TYR . . . . . 0.516 ' HA ' ' HE2' ' C' ' 264' ' ' LYS . 41.0 m-85 -71.33 -37.18 71.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.235 178.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -63.92 -49.33 73.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.739 0.304 . . . . 0.0 111.236 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 263' ' ' GLN . . . . . 0.559 ' OE1' ' HD2' ' C' ' 266' ' ' LYS . 14.2 mm-40 -68.91 -34.62 75.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.781 -175.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 264' ' ' LYS . . . . . 0.516 ' HE2' ' HA ' ' C' ' 261' ' ' TYR . 0.1 OUTLIER -68.25 -35.44 77.91 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.149 178.668 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.81 -45.09 75.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.248 175.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 266' ' ' LYS . . . . . 0.559 ' HD2' ' OE1' ' C' ' 263' ' ' GLN . 98.0 mttt -58.07 -42.28 85.19 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 176.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 267' ' ' TYR . . . . . 0.417 ' O ' HG22 ' C' ' 270' ' ' ILE . 92.7 t80 -58.08 -48.9 78.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -70.71 -38.13 73.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.025 0.44 . . . . 0.0 110.519 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.15 73.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.747 -178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 270' ' ' ILE . . . . . 0.526 HD13 ' O ' ' C' ' 270' ' ' ILE . 0.1 OUTLIER -75.27 -33.97 29.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 22.6 t -64.12 -46.76 82.72 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.36 -37.42 80.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.843 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 273' ' ' GLU . . . . . 0.576 ' CD ' ' HA2' ' B' ' 0' ' ' GLY . 17.0 tp10 -62.42 -63.33 1.26 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.065 -178.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 274' ' ' LEU . . . . . 0.471 HD12 ' N ' ' C' ' 275' ' ' ASP . 4.4 pp -55.07 -36.32 65.48 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.139 0.274 . . . . 0.0 111.149 -175.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 275' ' ' ASP . . . . . 0.471 ' N ' HD12 ' C' ' 274' ' ' LEU . 24.8 t70 -60.07 -59.43 5.43 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.808 178.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -74.75 -30.94 61.65 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.498 -0.481 . . . . 0.0 111.002 -176.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -57.94 -43.29 86.25 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.965 0.412 . . . . 0.0 111.193 -177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 278' ' ' LEU . . . . . 0.568 HD21 ' SD ' ' A' ' 1' ' ' MET . 4.1 mm? -83.62 -31.53 26.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.77 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -68.65 -38.03 80.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.178 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.83 -38.54 72.78 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.243 0.544 . . . . 0.0 110.674 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 281' ' ' MET . . . . . 0.656 ' O ' HG22 ' C' ' 284' ' ' ILE . 13.8 mtm -94.35 49.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.153 -175.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 9.7 t -62.1 -3.4 1.25 Allowed 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.15 0.5 . . . . 0.0 110.885 172.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 20.0 m -116.75 24.1 11.5 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.738 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 284' ' ' ILE . . . . . 0.656 HG22 ' O ' ' C' ' 281' ' ' MET . 6.1 tt . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.258 -0.877 . . . . 0.0 109.709 172.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.568 ' SD ' HD21 ' C' ' 278' ' ' LEU . 50.8 ttm -136.91 99.47 4.03 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -57.06 -47.46 80.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.74 -170.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.518 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -49.67 -64.16 0.89 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.262 -174.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.643 HG13 ' HE3' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -65.07 -42.46 94.56 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.522 -177.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.643 ' HE3' HG13 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -60.81 -51.74 68.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.219 0.533 . . . . 0.0 111.616 -177.095 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -71.79 -40.13 69.43 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.211 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.601 ' HD3' HG23 ' C' ' 284' ' ' ILE . 32.9 tttm -76.02 -28.09 57.6 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.613 -178.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.644 ' SD ' ' HG2' ' D' ' 281' ' ' MET . 7.0 ptt? -68.24 -28.54 67.31 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.498 ' O ' HD23 ' A' ' 13' ' ' LEU . 61.3 tt0 -62.85 -46.45 87.86 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 22.3 ttt -58.33 -47.88 82.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.298 0.57 . . . . 0.0 109.942 172.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.575 ' HB3' ' HA ' ' A' ' 8' ' ' MET . 25.7 tp -53.09 -54.77 30.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.639 177.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' A' ' 12' ' ' LYS . 45.1 mmtt -57.64 -38.92 75.84 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -177.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 9' ' ' GLN . 4.2 mm? -64.04 -35.44 80.73 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.773 178.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.592 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 28.2 t70 -69.03 -45.64 69.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.073 0.463 . . . . 0.0 109.917 174.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -59.82 -41.0 90.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.24 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -60.5 -48.42 81.85 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.675 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.592 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 12.0 p80 -65.47 -27.87 68.81 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 119.559 -0.856 . . . . 0.0 110.005 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.6 mt -69.77 -57.74 4.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.904 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.592 ' HA ' HG12 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -68.46 -30.8 69.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.201 -175.14 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -69.23 -42.39 75.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.917 0.389 . . . . 0.0 109.982 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 42.8 tt0 -64.19 -52.3 59.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.374 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.7 HG22 ' HE3' ' A' ' 26' ' ' LYS . 9.1 p -63.31 -34.89 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.394 -176.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.8 -53.29 49.28 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.774 0.321 . . . . 0.0 110.795 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.1 mtm105 -65.42 -36.14 83.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.202 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.649 HD11 HG21 ' B' ' 29' ' ' VAL . 15.1 tp -63.46 -53.3 54.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.866 -177.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.7 ' HE3' HG22 ' A' ' 22' ' ' VAL . 18.0 ptpt -69.93 -26.18 64.02 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.873 -176.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.16 -41.04 77.78 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 174.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.602 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 45.2 tp -71.71 -40.85 69.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.217 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.648 ' CG2' HG22 ' B' ' 29' ' ' VAL . 21.3 t -70.87 -27.58 30.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 O-C-N 122.002 -0.436 . . . . 0.0 110.001 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.36 -29.84 59.48 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.648 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 12.3 pt-20 -77.79 -19.46 55.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.025 0.441 . . . . 0.0 110.226 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 28' ' ' LEU . 99.6 mtt180 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.063 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 248' ' ' GLY . . . . . 0.427 ' C ' HG12 ' D' ' 253' ' ' ILE . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 112.642 -0.183 . . . . 0.0 112.642 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 249' ' ' CYS . . . . . 0.65 ' HB3' ' HA ' ' C' ' 249' ' ' CYS . 4.6 p -74.22 143.98 44.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.688 0.28 . . . . 0.0 111.16 -176.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 131.97 -47.73 1.0 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.556 -0.618 . . . . 0.0 111.556 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 251' ' ' LYS . . . . . 0.493 ' NZ ' ' HB3' ' D' ' 251' ' ' LYS . 9.2 mtpm? -146.14 -51.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.69 0.281 . . . . 0.0 111.07 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 19.0 m -59.21 -44.0 92.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.918 -176.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 253' ' ' ILE . . . . . 0.461 HD12 HD11 ' C' ' 253' ' ' ILE . 20.7 mm -62.71 -32.05 54.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.746 -177.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -60.76 -44.56 96.59 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.759 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.38 -33.79 76.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.534 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 256' ' ' LEU . . . . . 0.442 ' HG ' HD23 ' C' ' 260' ' ' LEU . 7.8 mp -67.61 -46.6 72.09 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.961 177.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 257' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.13 -39.0 89.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.639 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -53.28 -53.38 51.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.969 0.89 . . . . 0.0 110.085 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 259' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' D' ' 263' ' ' GLN . 26.1 tt0 -70.11 -42.06 73.17 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.011 -1.449 . . . . 0.0 111.17 -178.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 260' ' ' LEU . . . . . 0.625 ' HA ' HD13 ' C' ' 260' ' ' LEU . 52.3 tp -53.92 -50.62 66.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.146 0.498 . . . . 0.0 110.372 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 261' ' ' TYR . . . . . 0.518 ' O ' ' HG ' ' D' ' 265' ' ' LEU . 58.0 t80 -58.5 -47.38 84.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.543 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.97 -49.85 68.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.812 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 263' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' D' ' 259' ' ' GLU . 82.3 mm-40 -61.01 -41.17 96.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.715 -0.22 . . . . 0.0 111.248 -177.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -68.5 -33.04 73.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.669 -0.241 . . . . 0.0 111.216 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 265' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' D' ' 261' ' ' TYR . 86.5 mt -67.46 -43.3 81.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.133 175.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 266' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -65.07 -39.26 92.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.191 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -61.54 -43.13 99.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.138 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -62.71 -46.58 87.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 176.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -60.6 -51.99 67.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.616 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 270' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' C' ' 270' ' ' ILE . 0.0 OUTLIER -64.02 -40.96 90.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.69 -176.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 65.5 p -70.3 -40.38 74.28 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.523 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -64.46 -41.13 96.69 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.05 0.453 . . . . 0.0 110.248 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -61.31 -53.6 54.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.773 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 274' ' ' LEU . . . . . 0.511 ' HG ' ' HE2' ' A' ' 1' ' ' MET . 10.9 mp -70.4 -33.72 71.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.462 -177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 275' ' ' ASP . . . . . 0.554 ' O ' ' HB2' ' D' ' 279' ' ' LYS . 27.4 t70 -58.98 -49.65 77.06 Favored 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 174.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 37.1 t60 -64.99 -32.63 74.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.51 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -59.2 -43.68 92.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.388 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 278' ' ' LEU . . . . . 0.655 HD11 ' HB ' ' B' ' 4' ' ' ILE . 3.8 mm? -85.74 -28.43 24.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.726 0.298 . . . . 0.0 110.86 177.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 279' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' D' ' 275' ' ' ASP . 2.1 tptm -63.0 -31.82 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.632 178.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -47.1 -62.95 1.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.783 -177.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 281' ' ' MET . . . . . 0.644 ' HG2' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -92.02 -49.74 6.06 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.319 -177.108 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 282' ' ' THR . . . . . 0.531 HG22 ' O ' ' D' ' 281' ' ' MET . 0.7 OUTLIER 58.64 -8.46 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.031 1.333 . . . . 0.0 113.592 -178.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 283' ' ' SER . . . . . 0.463 ' H ' ' C ' ' D' ' 281' ' ' MET . 46.2 m -135.17 76.0 1.6 Allowed 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.991 -0.443 . . . . 0.0 110.653 176.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 284' ' ' ILE . . . . . 0.876 HG12 ' HD2' ' B' ' 7' ' ' LYS . 31.5 pt . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.734 171.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . 0.576 ' HA2' ' CD ' ' C' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.456 ' O ' ' HD2' ' B' ' 5' ' ' LYS . 46.9 tpp -74.79 88.1 2.26 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -48.33 -41.28 27.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.347 -171.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.519 ' HB3' ' HG ' ' D' ' 278' ' ' LEU . . . -52.76 -71.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -176.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.655 ' HB ' HD11 ' D' ' 278' ' ' LEU . 0.6 OUTLIER -72.27 -30.91 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -175.298 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.456 ' HD2' ' O ' ' B' ' 1' ' ' MET . 0.2 OUTLIER -54.99 -58.34 8.02 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.469 0.652 . . . . 0.0 110.433 177.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -71.38 -32.6 68.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.624 -178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.876 ' HD2' HG12 ' D' ' 284' ' ' ILE . 19.4 ttmm -70.95 -34.55 71.57 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.509 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.427 ' O ' ' HB3' ' B' ' 11' ' ' LEU . 32.3 ttp -66.51 -38.71 87.81 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 120.954 0.407 . . . . 0.0 110.019 176.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.542 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 62.0 tt0 -59.83 -51.53 69.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 48.4 ttm -57.83 -42.24 83.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.623 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.427 ' HB3' ' O ' ' B' ' 8' ' ' MET . 8.0 tp -52.49 -63.36 1.17 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.389 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.454 ' O ' ' HB2' ' B' ' 16' ' ' TYR . 24.5 mtmt -72.58 -25.72 61.45 Favored 'General case' 0 C--O 1.217 -0.62 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -173.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 72.2 mt -61.5 -43.28 99.14 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.084 -0.647 . . . . 0.0 109.783 173.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.585 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 35.4 t70 -68.71 -49.18 60.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.604 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -67.21 -29.35 68.99 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.471 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.692 ' HA ' ' HG2' ' B' ' 19' ' ' GLU . 2.4 m-85 -69.44 -40.06 77.43 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.421 177.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.585 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 7.3 p80 -70.7 -24.99 62.76 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 119.17 -1.012 . . . . 0.0 109.57 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tt -73.63 -49.14 27.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.988 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.692 ' HG2' ' HA ' ' B' ' 16' ' ' TYR . 7.9 pt-20 -66.56 -33.39 75.57 Favored 'General case' 0 C--N 1.335 -0.063 0 CA-C-O 120.725 0.298 . . . . 0.0 110.593 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -65.43 -43.88 89.1 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.245 175.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.25 -53.79 47.42 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.317 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.67 HG12 ' HA ' ' B' ' 19' ' ' GLU . 9.8 p -62.24 -32.35 54.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 -175.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.9 -47.11 69.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.972 0.415 . . . . 0.0 110.698 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -72.34 -29.63 63.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.658 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.594 ' O ' HG23 ' B' ' 29' ' ' VAL . 61.8 tp -69.28 -48.03 62.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.015 177.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.533 ' HA ' HG23 ' B' ' 29' ' ' VAL . 17.2 ptpt -66.29 -26.18 67.21 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.93 0.395 . . . . 0.0 110.317 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 tttm -64.48 -44.3 91.42 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 2.4 mm? -64.31 -29.73 70.8 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.015 176.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 25' ' ' LEU . 17.4 t -65.63 -33.55 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 175.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.75 -26.09 72.3 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.541 173.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' B' ' 28' ' ' LEU . 0.4 OUTLIER -73.57 -34.87 65.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.627 0.251 . . . . 0.0 111.15 176.736 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' B' ' 28' ' ' LEU . 12.0 ptm180 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.42 -176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 112.029 -0.428 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 249' ' ' CYS . . . . . . . . . . . . . 12.0 p -98.63 160.46 14.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.727 0.299 . . . . 0.0 110.557 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . 94.8 76.41 1.32 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.907 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 251' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' C' ' 252' ' ' SER . 36.0 ttpt 68.5 79.99 0.2 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.934 0.494 . . . . 0.0 110.549 178.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 252' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' C' ' 251' ' ' LYS . 23.1 t 171.78 -28.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.184 177.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 253' ' ' ILE . . . . . . . . . . . . . 20.5 mm -70.54 -38.64 74.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.376 -173.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.01 -47.54 84.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.08 0.467 . . . . 0.0 109.829 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.05 -46.86 76.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.641 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' C' ' 260' ' ' LEU . 3.7 mp -54.98 -52.9 61.65 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.273 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 257' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -58.53 -42.18 87.16 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 120.971 0.415 . . . . 0.0 111.152 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -61.4 -53.91 50.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.221 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 259' ' ' GLU . . . . . 0.642 ' HG3' HE21 ' C' ' 263' ' ' GLN . 31.5 tt0 -64.64 -33.11 75.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.791 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 260' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' C' ' 256' ' ' LEU . 2.9 tt -53.28 -56.87 13.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.953 0.406 . . . . 0.0 110.317 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -69.67 -32.07 70.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 -178.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.41 70.35 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.272 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 263' ' ' GLN . . . . . 0.642 HE21 ' HG3' ' C' ' 259' ' ' GLU . 80.4 mm-40 -64.15 -41.82 97.02 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.94 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -59.47 -39.38 83.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.634 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -67.08 -51.97 47.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.262 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 266' ' ' LYS . . . . . 0.431 ' HB2' ' HE3' ' C' ' 266' ' ' LYS . 20.9 ptmt -71.73 -27.2 62.83 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.348 -176.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -66.78 -40.1 88.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.287 0.565 . . . . 0.0 109.485 174.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -67.04 -39.22 86.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.68 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -63.62 -48.15 78.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.747 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 270' ' ' ILE . . . . . . . . . . . . . 10.0 tt -66.8 -34.74 71.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.813 0.34 . . . . 0.0 110.33 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 47.1 t -65.46 -47.36 76.4 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -50.89 -45.67 60.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.99 0.424 . . . . 0.0 110.214 175.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.87 -58.33 7.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.363 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 274' ' ' LEU . . . . . 0.562 HD22 ' HE1' ' A' ' 1' ' ' MET . 92.7 mt -67.73 -45.97 73.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.791 -174.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.53 -54.61 44.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 110.81 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -59.78 -41.13 90.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.677 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 277' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' C' ' 280' ' ' ASP . . . -62.66 -50.16 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.768 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 278' ' ' LEU . . . . . 0.705 HD12 ' HB ' ' A' ' 4' ' ' ILE . 3.8 mm? -77.21 -18.32 57.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.629 0.252 . . . . 0.0 111.625 -175.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -86.05 -19.0 30.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.002 173.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 280' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' C' ' 277' ' ' ALA . 0.3 OUTLIER -53.06 -63.54 1.11 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -175.656 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 281' ' ' MET . . . . . 0.406 ' SD ' ' HE2' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -70.08 -25.51 63.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.749 -172.634 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 17.9 p 54.99 -69.73 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.144 0.978 . . . . 0.0 112.879 -173.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 24.7 t -74.4 81.76 1.91 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.514 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 284' ' ' ILE . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.556 -0.735 . . . . 0.0 109.596 173.491 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.94 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.623 ' HG3' HG22 ' A' ' 4' ' ' ILE . 30.9 tpp -96.76 29.6 2.95 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.445 0.641 . . . . 0.0 109.709 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.06 -19.85 14.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.098 -0.956 . . . . 0.0 112.751 -171.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.47 -58.57 6.95 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.157 0.503 . . . . 0.0 110.984 177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.705 ' HB ' HD12 ' C' ' 278' ' ' LEU . 0.7 OUTLIER -78.44 -38.52 22.77 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.698 178.652 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.893 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 7.5 mmpt? -60.52 -43.26 97.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.849 0.357 . . . . 0.0 111.113 -175.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -69.78 -47.66 62.09 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.904 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -63.96 -29.08 70.28 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.735 178.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.528 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 48.7 ttp -61.41 -45.5 94.05 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.666 176.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -56.44 -47.3 79.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.494 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -67.66 -33.12 74.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.589 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.478 HD21 HD21 ' B' ' 11' ' ' LEU . 28.9 tp -61.75 -45.94 91.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.942 175.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 8' ' ' MET . 29.9 mtpp -63.37 -40.96 98.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.275 -0.42 . . . . 0.0 109.942 178.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.37 -39.96 84.95 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.163 0.506 . . . . 0.0 110.171 174.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.962 ' HA ' ' HD2' ' A' ' 17' ' ' HIS . 29.6 t70 -67.43 -50.22 60.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.885 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.39 -33.77 75.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.272 -178.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -83.59 -27.89 28.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.324 0.491 . . . . 0.0 112.324 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.962 ' HD2' ' HA ' ' A' ' 14' ' ' ASP . 1.4 p80 -73.44 -28.72 62.12 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 119.376 -0.93 . . . . 0.0 108.85 173.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.4 tp -75.04 -38.25 61.5 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 174.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -59.09 -49.18 78.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.14 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -69.86 -33.87 72.83 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.364 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -58.24 -58.51 8.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.331 176.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.45 ' HB ' HG22 ' B' ' 22' ' ' VAL . 11.0 p -64.8 -30.8 51.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.451 -177.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.32 -50.43 71.65 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.896 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -65.44 -41.48 93.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.075 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.66 -48.51 79.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.324 -176.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -67.85 -30.2 69.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.829 0.347 . . . . 0.0 110.373 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.585 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 23.1 ttpp -79.68 -21.29 44.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.186 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.0 tp -76.92 -36.98 56.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 110.314 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.448 ' HB ' HG22 ' B' ' 29' ' ' VAL . 8.5 p -83.1 -29.61 8.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.027 175.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.29 -18.88 78.94 Favored Glycine 0 CA--C 1.519 0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.009 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.585 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 4.1 tp10 -66.75 -22.06 66.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.333 0.587 . . . . 0.0 110.124 177.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 . . . . . 0 C--O 1.244 0.809 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.638 -173.399 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 112.084 -0.406 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 249' ' ' CYS . . . . . 0.439 ' HB3' ' HB ' ' D' ' 253' ' ' ILE . 45.6 t -150.83 -35.9 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.652 0.263 . . . . 0.0 111.184 -178.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . -178.3 -64.84 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.876 -176.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -149.09 -69.56 0.21 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.734 0.267 . . . . 0.0 111.643 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 48.0 t -57.75 -52.68 64.45 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.971 0.415 . . . . 0.0 111.565 -175.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 253' ' ' ILE . . . . . 0.638 HD13 HD12 ' D' ' 256' ' ' LEU . 26.3 mm -62.1 -29.74 47.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.685 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.55 -44.79 93.14 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.305 -0.158 . . . . 0.0 111.137 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -67.98 -39.35 83.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.347 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 256' ' ' LEU . . . . . 0.638 HD12 HD13 ' D' ' 253' ' ' ILE . 53.1 mt -60.4 -52.08 66.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.986 177.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 257' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.28 -38.79 92.54 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.562 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -60.51 -52.0 67.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.309 177.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 259' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -62.8 -38.16 89.6 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.723 -1.126 . . . . 0.0 110.884 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 260' ' ' LEU . . . . . 0.431 HD13 ' HG ' ' C' ' 256' ' ' LEU . 9.5 tt -55.74 -50.23 70.95 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 261' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -60.01 -44.18 94.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.313 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -62.53 -51.8 65.98 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.423 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 263' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -68.3 -30.58 69.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.12 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -63.74 -45.38 90.17 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.24 -42.85 99.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.62 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 266' ' ' LYS . . . . . 0.871 ' HE2' ' HA ' ' D' ' 266' ' ' LYS . 9.5 mmpt? -60.59 -45.05 95.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.995 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -56.69 -48.86 76.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.969 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -70.51 -37.45 74.17 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.486 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -64.25 -47.76 78.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.19 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 270' ' ' ILE . . . . . 0.499 HD13 HD23 ' D' ' 274' ' ' LEU . 0.0 OUTLIER -66.15 -37.74 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -178.012 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 271' ' ' SER . . . . . 0.528 ' O ' ' HG ' ' D' ' 274' ' ' LEU . 50.6 m -65.21 -49.69 68.75 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 121.148 0.499 . . . . 0.0 110.482 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.35 -42.57 99.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.003 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -65.7 -44.95 84.61 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.22 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 274' ' ' LEU . . . . . 0.786 ' HB2' ' HE3' ' B' ' 1' ' ' MET . 3.8 pp -61.86 -42.48 99.11 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.809 -174.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -68.1 -45.47 73.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.232 0.539 . . . . 0.0 110.206 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -66.68 -50.88 61.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.098 -176.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 277' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' D' ' 281' ' ' MET . . . -64.01 -35.17 79.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.607 -174.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 278' ' ' LEU . . . . . 0.575 HD13 ' SD ' ' D' ' 281' ' ' MET . 4.1 mm? -74.99 -29.08 60.79 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.883 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -75.16 -35.35 61.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.236 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -56.51 -51.78 67.23 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.864 0.84 . . . . 0.0 110.171 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 281' ' ' MET . . . . . 0.612 ' O ' HG22 ' D' ' 284' ' ' ILE . 14.5 ptm -82.89 41.95 0.77 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.945 -172.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 282' ' ' THR . . . . . 0.455 ' HA ' ' NZ ' ' B' ' 7' ' ' LYS . 14.2 t -60.54 -12.12 8.99 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.847 0.356 . . . . 0.0 110.704 175.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 24.6 m -89.94 13.08 15.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.076 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 284' ' ' ILE . . . . . 0.612 HG22 ' O ' ' D' ' 281' ' ' MET . 7.2 tt . . . . . 0 C--O 1.246 0.908 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 173.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.873 0 N-CA-C 111.852 -0.499 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.786 ' HE3' ' HB2' ' D' ' 274' ' ' LEU . 50.5 tpp -120.16 90.17 3.27 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 176.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -77.1 -23.78 51.82 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.606 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.66 -65.54 0.54 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.912 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.69 ' HB ' HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -62.04 -46.87 95.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.616 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.595 178.152 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.536 ' HD3' HG13 ' B' ' 4' ' ' ILE . 20.7 mmtp -60.29 -45.78 92.16 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 -172.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.88 -43.36 68.54 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.184 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.455 ' NZ ' ' HA ' ' D' ' 282' ' ' THR . 38.1 mtpt -72.94 -34.33 66.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.966 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.555 ' HA ' ' HB3' ' B' ' 11' ' ' LEU . 1.1 tmt? -65.21 -34.47 78.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.511 175.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.452 ' O ' HD23 ' B' ' 13' ' ' LEU . 53.2 tt0 -62.2 -46.81 87.25 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 26.6 ttt -62.38 -41.69 98.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.134 0.493 . . . . 0.0 109.887 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.555 ' HB3' ' HA ' ' B' ' 8' ' ' MET . 15.8 tp -54.13 -48.66 70.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.078 175.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.98 ' HE2' ' HA ' ' B' ' 12' ' ' LYS . 9.2 mmpt? -66.61 -33.05 74.8 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.36 -177.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.452 HD23 ' O ' ' B' ' 9' ' ' GLN . 4.0 mm? -64.9 -40.87 95.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.953 0.406 . . . . 0.0 110.223 175.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.703 ' HA ' ' HD2' ' B' ' 17' ' ' HIS . 1.2 t70 -70.45 -44.24 68.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.458 0.646 . . . . 0.0 109.789 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.97 -40.57 89.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.732 177.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -66.21 -45.41 80.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.46 -177.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.703 ' HD2' ' HA ' ' B' ' 14' ' ' ASP . 12.2 p80 -66.99 -28.19 68.05 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 119.832 -0.747 . . . . 0.0 109.948 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.516 ' O ' HG23 ' B' ' 22' ' ' VAL . 96.9 mt -70.39 -52.62 21.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.334 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.36 -41.3 88.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.56 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -57.39 -47.76 80.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.603 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 -62.35 -44.52 96.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.232 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 18' ' ' LEU . 83.9 t -61.24 -48.68 87.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.888 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.24 91.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.948 0.404 . . . . 0.0 111.315 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.425 ' HD3' ' HA ' ' B' ' 24' ' ' ARG . 80.8 mmt-85 -63.98 -40.59 96.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 tp -73.19 -35.71 66.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.827 -178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -56.91 -49.76 74.63 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.948 0.404 . . . . 0.0 110.788 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -69.8 -30.89 68.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.739 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.28 -46.51 70.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.053 0.454 . . . . 0.0 110.636 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.448 HG22 ' HB ' ' A' ' 29' ' ' VAL . 87.7 t -70.37 -35.04 60.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.726 178.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -67.86 -32.28 77.26 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.052 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.89 -42.96 99.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.368 0.604 . . . . 0.0 111.475 177.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.809 -171.919 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.748 -0.141 . . . . 0.0 112.748 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 249' ' ' CYS . . . . . 0.412 ' HB2' ' SG ' ' D' ' 249' ' ' CYS . 48.8 t -159.31 -17.84 0.06 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.958 0.409 . . . . 0.0 110.871 -176.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 250' ' ' GLY . . . . . 0.401 ' H ' ' H ' ' C' ' 249' ' ' CYS . . . 135.25 -41.25 1.46 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.176 -0.535 . . . . 0.0 112.28 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -136.71 150.21 48.32 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 252' ' ' SER . . . . . 0.512 ' O ' ' HG ' ' C' ' 256' ' ' LEU . 34.0 t 68.24 -72.78 0.09 Allowed 'General case' 0 CA--C 1.53 0.185 0 O-C-N 124.019 0.824 . . . . 0.0 111.641 176.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 253' ' ' ILE . . . . . 0.525 ' O ' ' HG3' ' C' ' 257' ' ' GLU . 27.4 mm -56.9 -45.06 83.36 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.841 -175.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.63 -43.75 98.27 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.056 0.455 . . . . 0.0 110.888 -178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.87 -35.42 81.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.772 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' C' ' 252' ' ' SER . 78.3 mt -71.68 -35.61 70.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.704 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 257' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' C' ' 253' ' ' ILE . 53.5 mt-10 -61.2 -44.33 97.46 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.33 0.586 . . . . 0.0 109.733 176.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -64.2 -50.74 66.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.75 176.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 259' ' ' GLU . . . . . 0.436 ' HB3' ' HA ' ' C' ' 256' ' ' LEU . 10.6 tp10 -56.17 -50.0 72.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.623 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 260' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.93 -48.16 80.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.443 -177.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -59.52 -50.11 75.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.722 177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -60.99 -55.07 37.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.566 -177.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 263' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -58.61 -42.95 89.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.59 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -60.19 -47.75 84.64 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.092 0.472 . . . . 0.0 110.345 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 265' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' C' ' 265' ' ' LEU . 1.1 tm? -62.93 -50.91 68.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.15 -177.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 266' ' ' LYS . . . . . 0.537 ' HA ' ' HB3' ' C' ' 269' ' ' ALA . 0.0 OUTLIER -71.87 -20.21 61.84 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.626 -176.047 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -67.33 -44.95 77.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.143 0.497 . . . . 0.0 109.681 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -70.36 -39.01 74.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.917 175.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 269' ' ' ALA . . . . . 0.537 ' HB3' ' HA ' ' C' ' 266' ' ' LYS . . . -58.44 -48.84 79.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.15 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 270' ' ' ILE . . . . . 0.75 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 10.4 tt -65.03 -39.77 86.78 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.281 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.382 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 23.0 t -60.5 -46.98 88.14 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 120.781 0.324 . . . . 0.0 110.325 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -61.03 -39.29 89.22 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.433 176.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 273' ' ' GLU . . . . . 0.462 ' O ' ' HB3' ' C' ' 276' ' ' HIS . 28.7 tt0 -66.95 -34.98 78.96 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.721 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 274' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 31.6 mt -69.56 -41.96 75.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.787 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -58.52 -45.88 87.92 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 276' ' ' HIS . . . . . 0.462 ' HB3' ' O ' ' C' ' 273' ' ' GLU . 22.7 t-80 -50.78 -55.48 16.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.177 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 277' ' ' ALA . . . . . 0.488 ' HB1' ' HD2' ' B' ' 5' ' ' LYS . . . -51.06 -52.78 39.87 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.448 -0.796 . . . . 0.0 113.118 -174.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 278' ' ' LEU . . . . . 0.558 ' HG ' ' HB3' ' A' ' 3' ' ' ALA . 2.4 mm? -75.75 -37.09 59.62 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.125 -175.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -68.98 -19.85 64.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.649 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -60.71 -28.62 68.79 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.649 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 281' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' C' ' 282' ' ' THR . 0.0 OUTLIER -109.43 -78.4 0.59 Allowed 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.191 -173.701 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 282' ' ' THR . . . . . 0.457 ' N ' ' SD ' ' C' ' 281' ' ' MET . 23.5 m 66.75 -0.98 1.45 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.832 0.825 . . . . 0.0 110.436 -173.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 283' ' ' SER . . . . . 0.4 ' H ' ' C ' ' C' ' 281' ' ' MET . 22.8 t -151.1 60.48 0.91 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.082 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 284' ' ' ILE . . . . . 0.639 HG22 ' HG3' ' B' ' 8' ' ' MET . 13.8 pt . . . . . 0 C--O 1.251 1.153 0 CA-C-O 117.951 -1.023 . . . . 0.0 109.179 170.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.549 ' CE ' HD13 ' C' ' 274' ' ' LEU . 23.5 mmt -92.75 82.53 4.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.208 0.528 . . . . 0.0 109.945 -178.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.682 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 8.6 p-10 -67.51 -19.86 65.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.481 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.558 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -54.51 -64.63 0.77 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.384 175.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.981 HD12 ' HB ' ' B' ' 4' ' ' ILE . 0.2 OUTLIER -64.5 -37.92 81.27 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.723 176.396 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.682 ' HB2' ' HA ' ' A' ' 2' ' ' ASP . 0.0 OUTLIER -57.23 -52.62 64.57 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -176.158 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -78.62 -29.92 46.23 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.042 -176.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.36 -37.25 86.46 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 173.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.8 ttp -62.54 -38.94 91.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.297 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -57.5 -52.24 66.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.103 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 24.1 ttt -65.15 -39.09 92.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.607 177.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.851 HD11 HD21 ' B' ' 11' ' ' LEU . 9.4 tt -57.36 -54.33 48.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.733 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -65.2 -34.52 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.909 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 36.8 mt -56.81 -46.79 81.4 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -66.98 -37.27 83.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.756 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.01 -49.62 71.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.009 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -62.9 -37.83 88.51 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.232 0.539 . . . . 0.0 109.861 175.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -57.52 -53.8 54.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.842 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.3 mt -65.15 -57.36 8.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.246 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -48.99 -50.7 34.58 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.448 0.467 . . . . 0.0 111.644 -175.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 45.1 t30 -68.15 -46.45 70.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.49 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -65.49 -41.77 92.89 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.198 0.523 . . . . 0.0 110.512 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.644 HG11 HG12 ' B' ' 22' ' ' VAL . 74.2 t -66.16 -34.86 73.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.594 178.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.9 83.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.199 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 60.9 mtp180 -69.7 -34.93 74.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.612 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.31 -49.08 68.25 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.577 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.542 ' HE3' HG12 ' A' ' 22' ' ' VAL . 17.1 ptpt -73.03 -19.09 61.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.51 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 46.6 tttp -71.13 -39.45 71.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.173 171.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.8 tp -59.32 -52.92 63.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.034 0.445 . . . . 0.0 110.76 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.8 p -77.53 -25.39 14.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.012 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -83.0 -17.74 66.73 Favored Glycine 0 C--O 1.229 -0.206 0 CA-C-N 115.913 -0.585 . . . . 0.0 113.129 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 6.1 tp10 -67.71 -18.74 65.01 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.091 0.472 . . . . 0.0 110.534 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.655 -0.688 . . . . 0.0 110.281 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.789 0 N-CA-C 112.599 -0.201 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 249' ' ' CYS . . . . . 0.681 ' HA ' ' CG1' ' D' ' 253' ' ' ILE . 58.6 m -98.62 156.12 16.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.733 0.302 . . . . 0.0 111.244 -178.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 250' ' ' GLY . . . . . 0.492 ' H ' ' HB ' ' D' ' 253' ' ' ILE . . . 119.29 -99.86 0.78 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.167 175.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 251' ' ' LYS . . . . . 0.735 ' HA ' ' HE3' ' D' ' 251' ' ' LYS . 0.1 OUTLIER -71.92 -52.71 15.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.696 0.284 . . . . 0.0 111.062 -170.075 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 16.6 m -66.45 -34.08 77.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.19 0.519 . . . . 0.0 110.345 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 253' ' ' ILE . . . . . 0.681 ' CG1' ' HA ' ' D' ' 249' ' ' CYS . 15.2 mm -63.98 -35.56 73.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.827 -177.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -55.2 -49.48 71.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.088 0.471 . . . . 0.0 110.35 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.3 -45.72 75.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.097 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 256' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' D' ' 260' ' ' LEU . 82.1 mt -61.59 -45.95 91.92 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.775 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 257' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -65.27 -38.2 89.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.831 0.348 . . . . 0.0 110.206 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.41 -50.68 72.61 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.097 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 259' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -73.67 -31.86 63.68 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.981 -177.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 260' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' D' ' 256' ' ' LEU . 5.2 tt -59.3 -44.75 92.49 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 261' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.39 -42.98 99.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.938 175.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -64.71 -51.01 64.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.852 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 263' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -67.18 -31.07 71.22 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 121.18 -0.208 . . . . 0.0 111.334 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 25.5 ttmt -71.65 -36.47 70.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.144 0.497 . . . . 0.0 109.793 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 23.9 tp -67.68 -36.6 80.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.813 176.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 266' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -66.82 -40.43 88.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.501 175.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 267' ' ' TYR . . . . . 0.546 ' HA ' HG22 ' D' ' 270' ' ' ILE . 51.4 t80 -65.18 -39.12 92.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.807 0.337 . . . . 0.0 110.101 176.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -59.64 -47.91 83.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.961 173.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.56 98.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.711 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 270' ' ' ILE . . . . . 0.546 HG22 ' HA ' ' D' ' 267' ' ' TYR . 11.8 tt -71.42 -35.72 58.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.818 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 28.8 t -70.11 -35.81 74.4 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 178.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -66.18 -47.37 74.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.087 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -59.3 -58.46 8.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.204 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 274' ' ' LEU . . . . . 0.402 HD13 ' O ' ' D' ' 270' ' ' ILE . 6.3 mp -62.92 -46.81 86.05 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -174.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.03 -51.61 68.59 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.911 0.386 . . . . 0.0 110.05 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 276' ' ' HIS . . . . . 0.465 ' O ' ' HB2' ' D' ' 280' ' ' ASP . 2.0 t-80 -65.53 -40.37 92.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.855 -178.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -69.65 -37.72 76.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -174.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 278' ' ' LEU . . . . . 0.546 ' HG ' ' SD ' ' B' ' 1' ' ' MET . 4.3 mm? -85.29 -24.07 27.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.878 0.37 . . . . 0.0 111.294 -177.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 279' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' D' ' 279' ' ' LYS . 29.2 ttmt -85.55 -19.07 31.67 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.571 0.701 . . . . 0.0 109.7 176.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 280' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' D' ' 276' ' ' HIS . 5.9 t70 -54.63 -46.51 73.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.499 -1.228 . . . . 0.0 112.938 -173.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 281' ' ' MET . . . . . 0.546 ' HG2' ' N ' ' D' ' 282' ' ' THR . 0.0 OUTLIER -89.8 -56.87 3.07 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.507 -0.477 . . . . 0.0 112.063 -173.632 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 282' ' ' THR . . . . . 0.546 ' N ' ' HG2' ' D' ' 281' ' ' MET . 0.4 OUTLIER 69.63 -32.6 0.23 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.51 0.724 . . . . 0.0 112.17 -174.551 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 283' ' ' SER . . . . . 0.453 ' H ' ' C ' ' D' ' 281' ' ' MET . 14.2 m -88.79 81.8 6.91 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.067 0.46 . . . . 0.0 111.336 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 284' ' ' ILE . . . . . 0.629 HG23 ' NZ ' ' B' ' 7' ' ' LYS . 1.7 tt . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.008 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.546 ' SD ' ' HG ' ' D' ' 278' ' ' LEU . 43.4 tpp -86.42 89.21 7.81 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -60.39 -25.75 66.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.626 -0.715 . . . . 0.0 112.051 -172.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.02 -69.09 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.917 0.389 . . . . 0.0 111.655 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.981 ' HB ' HD12 ' A' ' 4' ' ' ILE . 1.6 tp -72.81 -37.26 54.5 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.483 -178.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.965 ' HA ' ' HE2' ' B' ' 5' ' ' LYS . 10.0 mmpt? -70.59 -47.21 61.31 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -172.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -68.69 -45.13 72.45 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.404 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.629 ' NZ ' HG23 ' D' ' 284' ' ' ILE . 8.0 mtmp? -66.63 -32.1 73.2 Favored 'General case' 0 C--O 1.217 -0.627 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.569 178.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.639 ' HG3' HG22 ' C' ' 284' ' ' ILE . 12.4 ttt -53.23 -47.87 68.65 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 120.91 0.386 . . . . 0.0 110.77 174.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.431 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 35.2 tt0 -59.4 -50.61 73.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.507 178.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 23.7 ttt -59.62 -46.88 87.67 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.198 0.523 . . . . 0.0 110.61 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.851 HD21 HD11 ' A' ' 11' ' ' LEU . 7.2 tp -50.96 -59.16 4.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.946 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 37.6 mtpt -68.25 -28.7 67.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.551 -174.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 83.4 mt -67.92 -41.2 82.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.042 0.449 . . . . 0.0 110.044 174.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.651 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 34.6 t70 -63.93 -50.79 67.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.351 176.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.99 -32.74 74.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.592 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.57 -48.94 77.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.044 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.651 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 20.9 p80 -73.34 -23.64 60.26 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.187 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.622 ' O ' HG13 ' B' ' 22' ' ' VAL . 87.2 mt -67.53 -48.92 65.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.549 ' HA ' HG22 ' B' ' 22' ' ' VAL . 34.5 tt0 -61.6 -35.9 79.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.993 0.425 . . . . 0.0 110.008 177.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.654 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 44.6 t-20 -59.64 -48.77 80.37 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 175.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -56.35 -53.46 57.08 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.134 176.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.644 HG12 HG11 ' A' ' 22' ' ' VAL . 3.4 m -66.05 -27.84 42.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.241 -174.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.78 -41.39 83.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.061 0.458 . . . . 0.0 110.226 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' B' ' 20' ' ' ASN . 24.7 mmt180 -70.41 -36.84 74.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.594 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.471 ' O ' HG23 ' B' ' 29' ' ' VAL . 61.1 tp -62.62 -53.74 50.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.208 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -63.06 -34.63 78.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.914 0.388 . . . . 0.0 110.584 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -64.33 -40.48 95.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.624 177.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.7 -44.34 77.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.459 178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 25' ' ' LEU . 88.0 t -62.4 -38.1 80.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.21 -22.81 72.79 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.272 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -71.4 -48.04 52.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.436 . . . . 0.0 110.299 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.072 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 N-CA-C 111.799 -0.52 . . . . 0.0 111.799 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 249' ' ' CYS . . . . . 0.584 ' HA ' HG13 ' C' ' 253' ' ' ILE . 42.2 m 60.95 35.97 18.91 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 122.609 0.364 . . . . 0.0 111.88 172.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . -117.53 51.97 0.71 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.246 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -151.7 -75.95 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.965 0.412 . . . . 0.0 110.77 -177.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 18.4 m -136.05 6.8 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.769 -178.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 253' ' ' ILE . . . . . 0.584 HG13 ' HA ' ' C' ' 249' ' ' CYS . 47.9 mm -67.89 -30.0 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.155 -176.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -62.42 -44.49 96.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.299 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -81.86 -20.85 38.07 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.486 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . 0.554 ' HB2' ' HA ' ' C' ' 253' ' ' ILE . 2.7 mp -68.34 -47.33 67.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.524 174.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 257' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.59 -33.71 74.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 109.997 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -58.11 -58.92 6.33 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.495 0.664 . . . . 0.0 109.541 173.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 259' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -65.65 -30.89 71.65 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.548 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 260' ' ' LEU . . . . . 0.71 HD22 ' HG ' ' D' ' 256' ' ' LEU . 52.5 tp -57.91 -45.54 86.32 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.817 0.342 . . . . 0.0 110.115 177.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -61.51 -45.08 95.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.073 175.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -61.19 -49.98 74.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.213 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 263' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -60.4 -42.66 96.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.125 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -62.27 -47.0 86.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.542 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 36.9 tp -71.34 -41.91 69.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.945 -178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 266' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -62.34 -41.01 98.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.344 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -62.09 -43.96 97.69 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -60.99 -49.1 78.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.102 175.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -56.3 -51.7 67.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.986 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 270' ' ' ILE . . . . . 0.417 ' O ' HD13 ' C' ' 274' ' ' LEU . 16.0 tt -67.29 -44.44 87.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.608 -175.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 10.4 t -66.81 -34.38 77.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.302 0.572 . . . . 0.0 109.989 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -76.26 -37.36 57.69 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.52 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.6 -40.75 92.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.534 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 274' ' ' LEU . . . . . 0.524 ' O ' HD22 ' C' ' 278' ' ' LEU . 7.9 mp -57.53 -56.8 17.24 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 174.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 275' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' C' ' 279' ' ' LYS . 16.1 t70 -49.26 -47.67 46.48 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.99 0.424 . . . . 0.0 110.659 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -59.91 -51.77 68.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.217 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -55.98 -40.82 73.84 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -174.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 278' ' ' LEU . . . . . 0.887 HD12 ' HE2' ' C' ' 281' ' ' MET . 0.8 OUTLIER -82.53 -19.34 38.82 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.605 179.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 279' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' C' ' 275' ' ' ASP . 0.7 OUTLIER -80.72 -27.77 36.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.462 178.132 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -56.31 -18.97 12.32 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.944 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 281' ' ' MET . . . . . 0.887 ' HE2' HD12 ' C' ' 278' ' ' LEU . 23.0 ptt? -128.27 34.7 4.52 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.454 -168.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 2.9 p -57.6 78.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.555 0.693 . . . . 0.0 112.633 178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 283' ' ' SER . . . . . 0.41 ' N ' ' O ' ' C' ' 281' ' ' MET . 50.4 m -163.82 -36.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 284' ' ' ILE . . . . . 0.693 HG13 HD22 ' A' ' 11' ' ' LEU . 8.0 tt . . . . . 0 C--O 1.252 1.225 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.331 174.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . 0.593 ' HA2' ' CD ' ' D' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 112.258 -0.337 . . . . 0.0 112.258 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp -81.54 73.83 8.56 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 36.2 m-20 -57.61 -32.64 67.41 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.693 -175.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.2 -66.81 0.35 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.515 0.509 . . . . 0.0 111.582 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.488 HG23 ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -79.65 -36.98 17.95 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.493 -178.693 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.85 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -59.02 -48.68 80.71 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.655 0.264 . . . . 0.0 111.447 -177.17 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 0.7 OUTLIER -72.9 -42.77 63.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.384 -178.353 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.491 ' HE2' HG23 ' C' ' 284' ' ' ILE . 32.6 mtmm -70.76 -28.68 64.87 Favored 'General case' 0 C--O 1.222 -0.375 0 C-N-CA 119.906 -0.717 . . . . 0.0 110.823 178.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.646 ' HG3' HD12 ' D' ' 284' ' ' ILE . 47.0 ttp -60.01 -44.47 94.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.866 0.365 . . . . 0.0 110.127 173.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.448 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 63.2 tt0 -60.52 -46.8 88.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.181 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -61.02 -46.25 91.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.169 177.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.891 HD21 HD21 ' B' ' 11' ' ' LEU . 15.7 tp -54.55 -53.09 59.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.307 176.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -65.47 -31.89 73.21 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.038 -177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 9' ' ' GLN . 90.3 mt -70.43 -38.77 74.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.975 0.417 . . . . 0.0 110.136 175.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.736 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 27.2 t70 -64.77 -48.86 72.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.825 176.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.31 -35.96 80.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.218 177.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -64.22 -50.01 69.69 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.736 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 19.4 p80 -67.01 -26.02 66.58 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 119.876 -0.729 . . . . 0.0 110.328 -177.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.632 ' O ' HG23 ' A' ' 22' ' ' VAL . 94.0 mt -69.91 -61.98 1.56 Allowed 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 173.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -55.41 -38.96 69.61 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.065 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -64.33 -45.06 89.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.553 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -63.28 -37.21 86.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.208 0.528 . . . . 0.0 109.592 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 18' ' ' LEU . 47.7 t -65.72 -40.5 87.99 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.286 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.211 175.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . . . -61.68 -41.09 97.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.001 0.429 . . . . 0.0 110.249 176.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -60.61 -46.91 88.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.979 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.472 HD11 HG11 ' B' ' 29' ' ' VAL . 1.4 tm? -67.5 -46.26 73.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.751 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.642 ' HA ' HG12 ' A' ' 29' ' ' VAL . 18.1 ptpt -66.27 -30.06 70.41 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-O 120.685 0.278 . . . . 0.0 111.118 -176.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -73.82 -36.6 64.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.338 0.59 . . . . 0.0 109.658 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 tt -69.58 -46.07 67.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.183 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.72 HG11 HD11 ' B' ' 25' ' ' LEU . 9.1 p -76.02 -23.4 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.991 0.424 . . . . 0.0 110.694 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -68.71 -44.04 72.54 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.219 175.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -75.64 -71.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.465 ' HG2' ' HA ' ' A' ' 29' ' ' VAL . 10.6 mmm180 . . . . . 0 C--O 1.248 1.003 0 C-N-CA 123.245 0.618 . . . . 0.0 111.895 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 112.554 -0.219 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 249' ' ' CYS . . . . . 0.412 ' HB2' ' HB ' ' D' ' 253' ' ' ILE . 82.9 m -112.85 9.83 19.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.719 0.295 . . . . 0.0 111.553 -175.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 83.2 -47.99 3.94 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.964 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -123.69 139.58 53.85 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 27.1 t 72.84 -60.71 0.53 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.395 0.678 . . . . 0.0 111.139 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 253' ' ' ILE . . . . . 0.42 ' HA ' HD13 ' D' ' 253' ' ' ILE . 17.9 mm -71.15 -31.26 43.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.851 0.357 . . . . 0.0 110.663 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -63.5 -43.64 96.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.693 0.759 . . . . 0.0 109.296 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -61.14 -37.21 82.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.205 175.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 256' ' ' LEU . . . . . 0.71 ' HG ' HD22 ' C' ' 260' ' ' LEU . 9.2 tt -61.55 -52.48 64.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.939 177.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 257' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -56.75 -44.52 81.79 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.995 0.426 . . . . 0.0 110.722 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.48 -59.03 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.592 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 259' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.16 -38.11 84.89 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.522 -1.217 . . . . 0.0 111.586 -174.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 260' ' ' LEU . . . . . 0.541 HD13 ' HG ' ' C' ' 256' ' ' LEU . 10.3 tt -60.4 -42.65 96.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.877 0.37 . . . . 0.0 110.115 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 261' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -61.69 -48.42 80.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.69 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 262' ' ' ALA . . . . . 0.471 ' O ' ' HG3' ' D' ' 266' ' ' LYS . . . -61.27 -51.82 67.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.04 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 263' ' ' GLN . . . . . 0.789 ' HA ' HE21 ' D' ' 263' ' ' GLN . 0.0 OUTLIER -53.98 -46.61 71.74 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.455 179.296 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -63.22 -38.82 92.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.013 0.435 . . . . 0.0 110.643 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.3 -42.24 72.28 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.047 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 266' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' D' ' 262' ' ' ALA . 53.0 mtpt -67.65 -30.36 69.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 110.403 178.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -65.71 -39.51 91.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.237 0.542 . . . . 0.0 110.082 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 268' ' ' LYS . . . . . 0.423 ' HA ' ' OG ' ' D' ' 271' ' ' SER . 45.6 tptt -74.16 -33.63 63.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.142 174.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.48 81.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.0 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 270' ' ' ILE . . . . . 0.48 HD11 HD22 ' C' ' 274' ' ' LEU . 11.9 tt -69.27 -37.71 76.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.798 -0.183 . . . . 0.0 111.361 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 271' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' D' ' 268' ' ' LYS . 11.7 p -69.98 -38.47 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.779 178.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 272' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' D' ' 275' ' ' ASP . 34.5 tp10 -63.94 -40.52 96.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.07 0.462 . . . . 0.0 109.758 172.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 273' ' ' GLU . . . . . 0.593 ' CD ' ' HA2' ' A' ' 0' ' ' GLY . 11.2 tp10 -62.51 -52.27 64.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.089 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 274' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.33 -28.44 70.01 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.803 0.335 . . . . 0.0 110.76 -178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 275' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' D' ' 279' ' ' LYS . 15.5 t70 -59.64 -53.31 59.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.148 175.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 276' ' ' HIS . . . . . 0.403 ' HD2' ' O ' ' D' ' 272' ' ' GLU . 93.9 m-70 -73.08 -28.1 62.1 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.104 -177.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -63.83 -47.48 80.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.365 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 278' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' D' ' 278' ' ' LEU . 3.5 mm? -85.94 -21.75 27.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.365 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 279' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' D' ' 275' ' ' ASP . 1.7 mptm? -69.34 -31.36 69.74 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.231 0.539 . . . . 0.0 110.051 173.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -47.69 -64.7 0.72 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.49 -1.232 . . . . 0.0 113.211 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 281' ' ' MET . . . . . 0.626 ' HG2' ' N ' ' D' ' 282' ' ' THR . 0.0 OUTLIER -75.26 -57.63 3.78 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.478 -170.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 282' ' ' THR . . . . . 0.626 ' N ' ' HG2' ' D' ' 281' ' ' MET . 1.3 t 49.38 14.19 0.09 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.119 0.968 . . . . 0.0 111.89 -171.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 20.1 m -151.19 69.59 0.95 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.875 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 284' ' ' ILE . . . . . 0.646 HD12 ' HG3' ' A' ' 8' ' ' MET . 10.0 tt . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.05 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.8 mmm -76.94 98.21 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -61.21 -29.93 70.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.431 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.58 -62.66 1.57 Allowed 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.823 0.344 . . . . 0.0 111.251 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.472 HG12 HG13 ' A' ' 4' ' ' ILE . 1.5 tp -68.53 -35.5 70.63 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.734 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.757 ' HA ' ' HE2' ' B' ' 5' ' ' LYS . 0.5 OUTLIER -61.71 -52.33 64.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.454 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' B' ' 9' ' ' GLN . 63.0 tttp -69.93 -42.73 72.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.026 0.441 . . . . 0.0 110.922 -176.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.614 ' HB3' ' OXT' ' D' ' 284' ' ' ILE . 19.4 mtmm -64.02 -40.81 97.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.49 ' HA ' ' HB3' ' B' ' 11' ' ' LEU . 12.9 ttp -58.69 -37.15 75.45 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.736 0.303 . . . . 0.0 110.777 176.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' B' ' 6' ' ' LYS . 63.0 tt0 -56.75 -53.87 52.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.065 177.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 82.7 mtp -66.8 -35.08 79.24 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.52 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.891 HD21 HD21 ' A' ' 11' ' ' LEU . 27.6 tp -57.07 -55.96 27.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.442 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -63.51 -39.92 95.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.714 -177.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 92.7 mt -59.6 -37.97 79.98 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.93 0.395 . . . . 0.0 110.331 177.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.74 ' HA ' ' HD2' ' B' ' 17' ' ' HIS . 22.8 t70 -65.89 -46.46 78.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.101 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.21 -43.48 78.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.066 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -65.46 -43.04 91.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.927 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.74 ' HD2' ' HA ' ' B' ' 14' ' ' ASP . 2.1 p80 -72.97 -29.98 63.48 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.902 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.633 ' O ' HG23 ' B' ' 22' ' ' VAL . 3.0 tm? -60.99 -49.1 78.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 175.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.86 -25.82 68.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.677 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -70.69 -48.38 54.99 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -42.2 93.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.829 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.633 HG23 ' O ' ' B' ' 18' ' ' LEU . 86.3 t -60.38 -49.69 83.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.929 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.93 -45.17 74.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.02 0.438 . . . . 0.0 111.061 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -67.78 -40.57 83.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.559 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.72 HD11 HG11 ' A' ' 29' ' ' VAL . 51.9 tp -67.97 -45.68 73.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.45 -177.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.616 ' HA ' HG12 ' B' ' 29' ' ' VAL . 14.0 ptmm? -71.53 -26.95 62.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.833 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -70.16 -42.19 72.83 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 172.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.3 tp -60.33 -53.67 54.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.688 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.616 HG12 ' HA ' ' B' ' 26' ' ' LYS . 10.9 p -64.67 -26.71 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 CA-C-O 121.013 0.435 . . . . 0.0 110.564 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.72 -25.11 74.83 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.907 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.494 ' HB3' HH11 ' B' ' 32' ' ' ARG . 32.6 tt0 -81.83 -37.28 27.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.392 0.139 . . . . 0.0 111.096 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.494 HH11 ' HB3' ' B' ' 31' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.802 176.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.976 0 CA-C-O 120.005 -0.331 . . . . 0.0 113.291 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 249' ' ' CYS . . . . . 1.05 ' HA ' HG12 ' C' ' 253' ' ' ILE . 10.2 t 63.4 -164.53 0.25 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 117.129 0.464 . . . . 0.0 111.314 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . 89.37 59.09 1.58 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.028 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 87.4 tttt 74.33 -39.32 0.42 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.655 0.782 . . . . 0.0 111.06 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 22.9 t -68.13 -3.75 11.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.568 -178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 253' ' ' ILE . . . . . 1.05 HG12 ' HA ' ' C' ' 249' ' ' CYS . 1.4 mm -65.15 -28.99 45.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.763 0.316 . . . . 0.0 110.311 175.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.11 -47.42 82.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.314 176.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.82 -30.89 65.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.443 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 8.8 tp -66.14 -48.42 70.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.259 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 257' ' ' GLU . . . . . 0.585 ' HG2' HD11 ' D' ' 256' ' ' LEU . 46.6 mt-10 -65.45 -36.27 83.39 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.032 0.444 . . . . 0.0 110.12 176.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -56.46 -59.52 4.86 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 121.581 0.705 . . . . 0.0 110.388 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 259' ' ' GLU . . . . . 0.468 ' OE1' HD11 ' D' ' 260' ' ' LEU . 7.8 tm-20 -66.12 -33.23 75.31 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.195 -1.366 . . . . 0.0 110.622 -176.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 260' ' ' LEU . . . . . 0.635 HD22 ' HG ' ' D' ' 256' ' ' LEU . 46.7 tp -56.2 -54.26 47.37 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.027 0.442 . . . . 0.0 110.901 174.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 261' ' ' TYR . . . . . 0.546 ' HD1' ' O ' ' C' ' 257' ' ' GLU . 32.5 m-85 -69.66 -38.85 77.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.799 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -61.97 -50.13 73.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.357 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 263' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -65.4 -36.19 83.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.942 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -63.91 -43.81 94.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.108 0.48 . . . . 0.0 109.867 176.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 33.5 tp -62.71 -42.55 99.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.515 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 266' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.4 -37.43 80.36 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.344 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -58.68 -43.16 89.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.457 0.646 . . . . 0.0 109.882 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -66.85 -46.69 74.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.172 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -62.25 -39.41 92.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.149 -176.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 270' ' ' ILE . . . . . 0.656 HD13 HD12 ' D' ' 270' ' ' ILE . 12.6 tt -71.33 -38.04 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.713 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 29.4 t -64.05 -37.22 86.63 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.86 -46.89 88.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.906 173.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -62.75 -46.75 86.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.079 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 274' ' ' LEU . . . . . 0.637 ' HG ' ' CE ' ' B' ' 1' ' ' MET . 8.1 mp -65.54 -34.43 78.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.813 -0.176 . . . . 0.0 110.748 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -56.33 -48.13 77.37 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.166 0.508 . . . . 0.0 109.823 175.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 276' ' ' HIS . . . . . 0.486 ' HA ' ' HB2' ' C' ' 279' ' ' LYS . 12.0 m170 -74.1 -24.38 59.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.552 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -67.07 -40.54 87.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.906 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 278' ' ' LEU . . . . . 0.608 ' CD1' ' HB ' ' A' ' 4' ' ' ILE . 2.6 mm? -86.09 -31.93 21.64 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.731 177.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 279' ' ' LYS . . . . . 0.486 ' HB2' ' HA ' ' C' ' 276' ' ' HIS . 36.1 mttp -65.59 -19.19 65.82 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.896 0.379 . . . . 0.0 110.93 173.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -50.89 -47.52 60.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.569 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 281' ' ' MET . . . . . 0.492 ' SD ' ' N ' ' C' ' 282' ' ' THR . 0.0 OUTLIER -110.04 -57.3 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.102 -174.497 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 282' ' ' THR . . . . . 0.492 ' N ' ' SD ' ' C' ' 281' ' ' MET . 57.1 p 49.37 23.09 0.79 Allowed 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.6 0.76 . . . . 0.0 112.095 -174.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 78.8 p -126.3 8.29 7.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 -176.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 284' ' ' ILE . . . . . 0.488 HG13 ' OXT' ' C' ' 284' ' ' ILE . 10.2 pt . . . . . 0 C--O 1.243 0.728 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.741 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 CA-C-O 119.36 -0.689 . . . . 0.0 113.187 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.545 ' HG2' ' HG3' ' D' ' 273' ' ' GLU . 82.8 mmm -49.36 101.18 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 117.533 0.666 . . . . 0.0 110.775 177.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -66.84 -34.28 77.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.099 -0.955 . . . . 0.0 113.069 -168.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.475 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -52.13 -67.3 0.26 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -176.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.608 ' HB ' ' CD1' ' C' ' 278' ' ' LEU . 0.0 OUTLIER -73.31 -33.56 41.26 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.516 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.998 -177.097 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.784 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -60.23 -44.7 94.99 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 110.89 179.207 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.8 tptt -64.25 -52.19 59.93 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.337 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HE3' ' OXT' ' C' ' 284' ' ' ILE . 26.6 mtpp -65.61 -38.59 89.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.011 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.418 ' HG3' HG13 ' D' ' 284' ' ' ILE . 24.7 ttp -57.12 -40.81 77.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.875 178.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -66.8 -45.12 79.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.264 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.51 -40.02 95.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.449 0.642 . . . . 0.0 110.064 177.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.72 -51.43 69.38 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.648 175.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.845 ' HA ' ' HE3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -62.18 -37.98 87.32 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.094 -176.537 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 14' ' ' ASP . 4.5 pp -74.28 -30.34 62.05 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.811 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.479 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 26.5 t0 -67.75 -44.1 78.3 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 121.554 0.692 . . . . 0.0 109.151 174.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -36.11 82.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.428 176.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -61.1 -49.92 75.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.16 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.479 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 22.0 p80 -69.48 -34.96 75.11 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 119.811 -0.755 . . . . 0.0 110.113 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 22' ' ' VAL . 68.1 mt -63.86 -50.2 69.74 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.735 177.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -59.24 -31.35 68.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.086 0.47 . . . . 0.0 110.374 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.631 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 2.4 t30 -76.16 -46.06 30.44 Favored 'General case' 0 CA--C 1.513 -0.472 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -61.7 -38.93 89.67 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.24 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 18' ' ' LEU . 94.4 t -60.87 -49.03 86.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.11 -44.2 97.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.631 ' HG2' ' O ' ' A' ' 20' ' ' ASN . 34.1 mmt180 -63.99 -43.41 95.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.705 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.1 tp -67.5 -39.86 85.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.45 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.27 -34.68 78.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.611 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -36.19 67.0 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.322 177.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.42 -48.38 75.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.0 p -74.25 -25.11 19.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.451 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.19 -28.56 59.99 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.136 -0.554 . . . . 0.0 111.925 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.57 -26.89 68.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.305 0.574 . . . . 0.0 109.872 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 . . . . . 0 C--O 1.249 1.037 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.327 -179.567 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 112.105 -0.398 . . . . 0.0 112.105 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 249' ' ' CYS . . . . . 0.536 ' O ' ' HB ' ' D' ' 253' ' ' ILE . 6.2 p -89.62 -16.31 30.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.819 0.342 . . . . 0.0 111.332 -177.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . -86.44 20.45 22.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.992 -176.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -123.28 79.92 1.72 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 122.708 -0.29 . . . . 0.0 110.551 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 45.4 m 58.13 14.76 2.89 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.468 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 253' ' ' ILE . . . . . 0.536 ' HB ' ' O ' ' D' ' 249' ' ' CYS . 20.2 mm -78.93 -28.93 13.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.605 0.241 . . . . 0.0 110.815 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -67.23 -40.64 86.38 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -65.91 -47.57 74.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.556 174.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 256' ' ' LEU . . . . . 0.635 ' HG ' HD22 ' C' ' 260' ' ' LEU . 10.5 tt -57.51 -51.51 69.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.813 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 257' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -70.7 -25.69 63.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.775 0.321 . . . . 0.0 110.261 -177.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.33 -53.89 48.51 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.195 0.522 . . . . 0.0 110.224 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 259' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' D' ' 263' ' ' GLN . 5.3 pt-20 -76.99 -23.01 52.3 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.491 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 260' ' ' LEU . . . . . 0.468 HD11 ' OE1' ' C' ' 259' ' ' GLU . 34.6 tp -66.46 -35.45 80.31 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 261' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -44.11 97.32 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.284 173.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -62.57 -44.84 95.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.75 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 263' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' D' ' 259' ' ' GLU . 15.3 mm100 -53.71 -46.1 70.64 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.204 0.315 . . . . 0.0 111.259 176.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -51.86 -51.47 56.45 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.147 0.499 . . . . 0.0 110.478 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.5 -42.06 92.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.302 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 266' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -63.1 -43.63 97.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.578 0.228 . . . . 0.0 111.482 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -61.61 -44.65 96.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.123 0.487 . . . . 0.0 109.783 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -67.54 -41.69 83.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.519 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -58.66 -46.1 87.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.677 -177.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 270' ' ' ILE . . . . . 0.656 HD12 HD13 ' C' ' 270' ' ' ILE . 0.0 OUTLIER -72.09 -35.04 52.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.419 -178.581 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 39.2 m -64.33 -46.77 82.07 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.177 0.513 . . . . 0.0 110.334 176.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.79 -36.5 84.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.608 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 273' ' ' GLU . . . . . 0.545 ' HG3' ' HG2' ' A' ' 1' ' ' MET . 10.1 tp10 -57.18 -61.47 2.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.384 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 274' ' ' LEU . . . . . 0.573 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 4.2 pp -58.16 -38.26 76.27 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.806 0.336 . . . . 0.0 111.0 -176.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 275' ' ' ASP . . . . . 0.456 ' N ' HD12 ' D' ' 274' ' ' LEU . 19.8 t70 -63.43 -52.25 62.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.661 178.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -67.16 -38.07 84.84 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.969 -176.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -63.45 -45.95 88.5 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -175.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 278' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' D' ' 278' ' ' LEU . 4.4 mm? -81.79 -27.98 33.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.087 0.47 . . . . 0.0 111.676 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -84.05 -17.9 38.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.979 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -46.0 68.06 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.411 -177.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 281' ' ' MET . . . . . 0.41 ' HG3' ' SD ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -94.71 -35.65 12.06 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 -177.236 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 282' ' ' THR . . . . . 0.558 ' O ' ' HE2' ' B' ' 7' ' ' LYS . 62.9 m 70.39 -57.74 0.57 Allowed 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.011 0.819 . . . . 0.0 111.525 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 24.1 m -98.15 75.02 2.28 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.303 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 284' ' ' ILE . . . . . 0.446 HD12 HD11 ' A' ' 4' ' ' ILE . 3.7 tt . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.532 -0.747 . . . . 0.0 109.462 170.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.637 ' CE ' ' HG ' ' C' ' 274' ' ' LEU . 75.9 mtm -135.35 98.98 4.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.921 0.391 . . . . 0.0 110.553 176.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -85.48 -19.63 30.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.313 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -45.03 -58.29 3.28 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.658 0.599 . . . . 0.0 111.914 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.427 HG23 ' HE3' ' B' ' 5' ' ' LYS . 0.1 OUTLIER -63.72 -49.35 82.53 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.676 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.3 -179.49 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.434 ' HA ' ' HB3' ' B' ' 8' ' ' MET . 0.0 OUTLIER -67.98 -33.07 73.93 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -173.485 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -71.86 -48.38 46.37 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.558 ' HE2' ' O ' ' D' ' 282' ' ' THR . 17.4 mtpp -69.33 -32.75 72.06 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.566 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.434 ' HB3' ' HA ' ' B' ' 5' ' ' LYS . 2.6 ttt -55.61 -42.35 74.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.864 172.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -63.14 -43.7 97.61 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 44.7 mtt -62.49 -47.15 85.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.509 0.671 . . . . 0.0 109.747 174.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.406 ' HB3' ' HA ' ' B' ' 8' ' ' MET . 10.2 tp -52.78 -57.72 9.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.218 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -64.31 -40.91 96.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.812 -175.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 86.0 mt -61.79 -38.69 89.01 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.965 0.412 . . . . 0.0 110.332 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.71 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 17.9 t70 -64.81 -47.02 79.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.997 176.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -38.11 85.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.124 178.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -70.89 -32.16 69.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.71 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 6.8 p80 -77.85 -24.78 48.48 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.475 -0.89 . . . . 0.0 109.408 174.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.565 ' O ' HG23 ' B' ' 22' ' ' VAL . 55.6 mt -69.59 -51.53 34.39 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.592 175.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -30.59 71.69 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.743 0.306 . . . . 0.0 110.585 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -63.26 -46.98 84.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.277 0.56 . . . . 0.0 109.671 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -62.51 -43.98 97.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.647 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.572 HG12 ' HE3' ' B' ' 26' ' ' LYS . 87.1 t -56.85 -44.62 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.944 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.89 -45.47 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.7 -27.53 61.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.79 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 44.8 tp -68.88 -49.58 57.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.463 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.572 ' HE3' HG12 ' B' ' 22' ' ' VAL . 18.8 ptpt -70.62 -19.72 62.8 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.944 0.402 . . . . 0.0 110.286 178.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -67.41 -47.67 69.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.467 172.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' B' ' 31' ' ' GLU . 7.6 tt -65.89 -47.4 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.168 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.3 -32.2 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.68 -33.3 86.88 Favored Glycine 0 N--CA 1.453 -0.176 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.569 175.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' B' ' 28' ' ' LEU . 45.5 mm-40 -65.9 -19.49 65.89 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 122.733 0.413 . . . . 0.0 110.789 174.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' B' ' 28' ' ' LEU . 15.9 mmt180 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.3 -176.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 112.13 -0.388 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 249' ' ' CYS . . . . . 0.477 ' HA ' ' CG1' ' C' ' 253' ' ' ILE . 7.8 p -90.18 85.3 6.22 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.184 0.516 . . . . 0.0 110.664 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . -154.88 -47.85 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.231 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -131.19 -47.36 1.0 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 252' ' ' SER . . . . . 0.527 ' O ' ' HB2' ' C' ' 256' ' ' LEU . 15.8 m -67.44 -20.21 65.47 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -175.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 253' ' ' ILE . . . . . 0.477 ' CG1' ' HA ' ' C' ' 249' ' ' CYS . 13.5 mm -81.0 -25.0 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.607 -175.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -61.62 -50.75 71.32 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.43 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -78.84 -19.37 52.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.447 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' C' ' 252' ' ' SER . 1.4 tt -67.74 -49.18 63.92 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 257' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -66.78 -39.12 87.69 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -52.71 -52.83 54.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.893 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 259' ' ' GLU . . . . . 0.451 ' OE2' ' HE2' ' D' ' 264' ' ' LYS . 29.1 tt0 -70.49 -32.27 69.71 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.176 -177.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 260' ' ' LEU . . . . . 0.851 ' HA ' HD13 ' D' ' 260' ' ' LEU . 26.2 tp -54.74 -54.09 46.56 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.002 0.429 . . . . 0.0 110.002 175.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 261' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' C' ' 265' ' ' LEU . 53.0 t80 -60.01 -48.38 81.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.759 178.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 262' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' C' ' 266' ' ' LYS . . . -59.49 -42.17 91.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.077 -177.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 263' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -67.41 -54.11 23.28 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 264' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' C' ' 260' ' ' LEU . 17.6 ptpt -68.78 -30.87 69.55 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.942 -176.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 265' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' C' ' 265' ' ' LEU . 3.7 mm? -72.53 -39.87 67.21 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.295 178.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 266' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' C' ' 262' ' ' ALA . 4.9 ptpp? -73.03 -19.78 61.12 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.003 177.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -65.46 -44.75 86.23 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 171.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -64.41 -41.8 96.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.163 0.506 . . . . 0.0 109.647 174.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 269' ' ' ALA . . . . . 0.476 ' HB3' ' HA ' ' C' ' 266' ' ' LYS . . . -64.96 -40.34 94.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.946 -178.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 270' ' ' ILE . . . . . 0.72 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 8.5 tt -73.36 -33.15 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.788 0.328 . . . . 0.0 110.718 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 42.4 t -64.49 -46.4 83.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.203 0.525 . . . . 0.0 109.632 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -59.98 -42.76 94.88 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.562 172.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 273' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' C' ' 270' ' ' ILE . 11.4 tp10 -55.11 -57.72 10.59 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.01 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 274' ' ' LEU . . . . . 0.72 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 54.1 mt -55.92 -42.08 75.52 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 123.278 0.361 . . . . 0.0 111.237 -175.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 275' ' ' ASP . . . . . 0.616 ' O ' ' HB2' ' C' ' 279' ' ' LYS . 32.8 t70 -58.36 -58.78 6.97 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.585 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 276' ' ' HIS . . . . . 0.421 ' HA ' ' HB2' ' C' ' 279' ' ' LYS . 34.8 m80 -71.69 -19.28 62.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.391 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 277' ' ' ALA . . . . . 0.401 ' HA ' ' HA2' ' B' ' 0' ' ' GLY . . . -63.71 -47.48 80.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.825 0.345 . . . . 0.0 110.496 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 278' ' ' LEU . . . . . 0.562 ' CD1' ' HB ' ' A' ' 4' ' ' ILE . 3.8 mm? -87.68 -25.49 23.47 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.139 0.495 . . . . 0.0 111.178 177.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 279' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' C' ' 275' ' ' ASP . 1.2 tmtm? -66.69 -20.09 65.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.438 0.637 . . . . 0.0 109.533 172.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -52.72 -39.12 61.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.868 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 281' ' ' MET . . . . . 0.569 ' SD ' ' HE2' ' B' ' 5' ' ' LYS . 0.6 OUTLIER -111.35 -67.05 1.02 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.182 -165.509 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 282' ' ' THR . . . . . 0.525 ' H ' ' HG2' ' C' ' 281' ' ' MET . 40.2 m 71.43 -37.23 0.39 Allowed 'General case' 0 CA--C 1.536 0.411 0 O-C-N 123.362 0.414 . . . . 0.0 111.089 -170.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 283' ' ' SER . . . . . 0.495 ' H ' ' C ' ' C' ' 281' ' ' MET . 7.9 m -89.9 79.67 6.59 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.398 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 284' ' ' ILE . . . . . 0.664 HD11 HD11 ' D' ' 284' ' ' ILE . 4.9 tt . . . . . 0 C--N 1.32 -0.681 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 171.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.7 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.675 ' HG3' HG22 ' A' ' 4' ' ' ILE . 40.4 tpp -140.95 50.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.632 0.729 . . . . 0.0 109.277 175.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.64 ' HA ' ' HB2' ' A' ' 5' ' ' LYS . 59.2 m-20 -57.45 -18.4 18.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.721 -1.127 . . . . 0.0 111.168 -177.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.53 -70.28 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.579 172.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.675 HG22 ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -70.84 -33.38 52.11 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.545 178.183 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.64 ' HB2' ' HA ' ' A' ' 2' ' ' ASP . 10.5 mmmm -59.92 -45.1 93.67 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.828 -177.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 9' ' ' GLN . 61.3 tttp -79.66 -32.01 41.49 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.952 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.547 ' HB3' ' O ' ' C' ' 284' ' ' ILE . 20.6 mtpp -65.74 -39.56 91.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 174.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.1 ttp -59.65 -38.3 81.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.363 174.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.567 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 54.6 tt0 -55.27 -54.81 38.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.192 176.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.463 ' HA ' HD12 ' A' ' 13' ' ' LEU . 87.0 mtp -65.02 -36.48 84.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.844 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD21 HD21 ' B' ' 11' ' ' LEU . 55.8 tp -57.93 -49.08 77.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.651 176.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -67.53 -32.66 73.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.978 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 9' ' ' GLN . 92.0 mt -59.63 -40.7 88.48 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.243 0.544 . . . . 0.0 110.366 176.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.536 ' HA ' ' HD2' ' A' ' 17' ' ' HIS . 2.4 t70 -65.06 -41.72 94.86 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.621 177.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.16 -34.99 79.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.976 177.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.415 ' HD2' ' HA ' ' A' ' 13' ' ' LEU . 13.7 m-85 -61.1 -49.48 77.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.26 178.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.536 ' HD2' ' HA ' ' A' ' 14' ' ' ASP . 13.8 p80 -70.36 -25.25 63.19 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.3 -178.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.1 mt -71.69 -49.22 41.58 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.326 175.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.474 ' HA ' HG12 ' A' ' 22' ' ' VAL . 32.2 tt0 -62.49 -46.49 88.23 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.504 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -58.77 -40.74 84.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.448 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.18 -46.3 67.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.315 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.532 ' HB ' HG22 ' B' ' 22' ' ' VAL . 12.1 p -66.68 -34.85 72.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.28 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.51 98.53 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.391 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -57.59 -45.82 84.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.5 tp -72.46 -39.61 67.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -177.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.536 ' HE2' HD22 ' B' ' 25' ' ' LEU . 71.7 mmtt -58.43 -42.66 87.79 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.19 0.519 . . . . 0.0 109.884 173.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -43.62 95.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.887 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -63.55 -51.19 66.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.979 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.515 ' HA ' ' HD2' ' A' ' 32' ' ' ARG . 11.5 p -70.82 -22.76 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.939 0.399 . . . . 0.0 111.177 -177.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.76 -19.62 57.65 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.06 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.1 -39.83 65.47 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.601 0.36 . . . . 0.0 111.132 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 32' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.903 0 CA-C-O 119.0 -0.524 . . . . 0.0 110.555 177.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.204 -0.358 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 249' ' ' CYS . . . . . . . . . . . . . 51.0 t -158.38 -41.7 0.06 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.944 0.402 . . . . 0.0 110.717 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 105.53 33.89 3.48 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.932 -0.652 . . . . 0.0 111.581 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 56.1 tttm -157.79 -93.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 43.4 m -122.73 -17.43 6.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.713 -175.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 253' ' ' ILE . . . . . 0.433 HD13 HD13 ' D' ' 256' ' ' LEU . 1.7 mm -63.26 -33.28 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.385 0.612 . . . . 0.0 110.218 175.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.1 -40.3 90.65 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.449 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 255' ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' D' ' 258' ' ' ASP . 7.1 t70 -66.77 -34.72 78.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.334 175.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 256' ' ' LEU . . . . . 0.52 HD21 HD22 ' C' ' 260' ' ' LEU . 7.3 tt -60.6 -46.05 91.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.025 178.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 257' ' ' GLU . . . . . 0.461 ' HA ' ' HB3' ' D' ' 260' ' ' LEU . 0.7 OUTLIER -70.7 -27.26 63.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.308 179.265 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 258' ' ' ASP . . . . . 0.464 ' HB3' ' O ' ' D' ' 255' ' ' ASP . 30.1 t70 -56.25 -53.9 51.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.06 0.457 . . . . 0.0 110.248 175.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 259' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' D' ' 263' ' ' GLN . 9.8 pt-20 -76.99 -30.32 55.87 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.998 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 260' ' ' LEU . . . . . 1.047 ' HG ' ' HE3' ' D' ' 264' ' ' LYS . 37.9 tp -61.37 -46.74 88.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 177.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 261' ' ' TYR . . . . . 0.794 ' HA ' ' HD2' ' D' ' 264' ' ' LYS . 63.2 t80 -63.97 -36.33 83.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.948 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.79 91.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.168 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 263' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' D' ' 259' ' ' GLU . 27.3 mm-40 -58.2 -43.65 87.69 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.518 175.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 264' ' ' LYS . . . . . 1.047 ' HE3' ' HG ' ' D' ' 260' ' ' LEU . 90.4 mttt -58.69 -46.46 87.21 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.792 177.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.98 -48.15 83.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.185 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 266' ' ' LYS . . . . . 0.792 ' HE2' ' HA ' ' D' ' 266' ' ' LYS . 10.4 mmpt? -63.18 -40.86 98.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.929 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -63.8 -39.18 93.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.612 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -67.18 -38.76 85.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.079 0.466 . . . . 0.0 110.123 177.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -68.07 -42.72 80.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.79 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 270' ' ' ILE . . . . . 0.489 HD13 HD13 ' C' ' 270' ' ' ILE . 9.4 tt -73.54 -37.69 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.223 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 20.8 p -66.92 -41.52 86.94 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.049 178.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -56.43 -45.65 80.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.012 171.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.9 -47.31 85.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.484 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 274' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' D' ' 270' ' ' ILE . 62.6 mt -67.41 -44.86 77.75 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.767 0.318 . . . . 0.0 110.541 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -57.85 -48.77 78.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.125 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -64.78 -37.07 86.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.548 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 277' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' D' ' 280' ' ' ASP . . . -76.13 -35.17 59.36 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -176.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 278' ' ' LEU . . . . . 0.605 HD12 ' HB ' ' B' ' 4' ' ' ILE . 3.7 mm? -86.81 -30.27 21.64 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -80.56 -18.29 48.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.982 0.42 . . . . 0.0 110.027 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 280' ' ' ASP . . . . . 0.406 ' HB3' ' O ' ' D' ' 277' ' ' ALA . 20.3 t70 -37.56 -67.2 0.2 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 114.696 -1.138 . . . . 0.0 113.443 175.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 281' ' ' MET . . . . . 0.613 ' HE1' ' HE3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -80.73 -42.15 22.37 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -169.376 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 282' ' ' THR . . . . . . . . . . . . . 46.3 p 59.27 -28.1 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.343 1.057 . . . . 0.0 113.188 -170.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 283' ' ' SER . . . . . 0.529 ' H ' ' C ' ' D' ' 281' ' ' MET . 49.6 m -92.78 85.68 5.28 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.165 0.507 . . . . 0.0 110.772 175.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 284' ' ' ILE . . . . . 0.664 HD11 HD11 ' C' ' 284' ' ' ILE . 4.3 tt . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 174.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' C' ' 277' ' ' ALA . . . . . . . . 0 N--CA 1.482 1.705 0 CA-C-O 119.789 -0.451 . . . . 0.0 112.579 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.7 mtp 58.5 90.54 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.143 0.577 . . . . 0.0 110.559 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.12 -31.93 65.81 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.45 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -47.03 -75.38 0.03 OUTLIER 'General case' 0 C--O 1.238 0.488 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.605 ' HB ' HD12 ' D' ' 278' ' ' LEU . 0.0 OUTLIER -69.04 -25.21 29.38 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.217 -176.225 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.569 ' HE2' ' SD ' ' C' ' 281' ' ' MET . 0.0 OUTLIER -78.02 -39.34 42.39 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.239 -0.585 . . . . 0.0 112.125 -173.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -66.28 -44.11 84.49 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.455 ' HE3' ' CG2' ' D' ' 284' ' ' ILE . 22.1 mtpp -66.18 -41.96 89.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.726 177.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 7.4 ttt -49.71 -46.65 50.41 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.349 0.406 . . . . 0.0 111.466 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -64.3 -42.8 96.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.975 0.416 . . . . 0.0 110.275 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 77.0 mtp -63.56 -37.42 87.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.363 176.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.433 HD21 HD21 ' A' ' 11' ' ' LEU . 37.5 tp -67.9 -40.39 83.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.248 178.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -60.46 -45.78 92.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.816 0.341 . . . . 0.0 110.133 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.45 -34.47 78.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.251 176.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.639 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 8.0 t70 -63.82 -52.06 61.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.289 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -59.08 -34.45 71.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.046 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -59.23 -50.85 72.43 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.05 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.639 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 21.3 p80 -73.59 -24.43 60.06 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.526 -177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.495 ' O ' HG23 ' B' ' 22' ' ' VAL . 95.3 mt -67.32 -48.19 68.31 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 174.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -61.0 -44.13 97.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.354 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.53 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 95.4 m-20 -59.76 -44.2 93.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.702 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -55.53 -54.9 38.17 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.297 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.532 HG22 ' HB ' ' A' ' 22' ' ' VAL . 58.5 t -59.38 -43.14 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.821 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.81 -46.83 86.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.551 -178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' B' ' 20' ' ' ASN . 11.3 mmp_? -65.12 -35.28 80.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.536 HD22 ' HE2' ' A' ' 26' ' ' LYS . 47.9 tp -69.31 -41.9 76.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.658 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.455 ' HE3' ' CG1' ' B' ' 22' ' ' VAL . 96.7 mttt -66.55 -28.68 68.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.477 177.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.469 ' O ' ' HD2' ' B' ' 27' ' ' LYS . 0.4 OUTLIER -71.28 -45.71 62.52 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.807 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 tp -54.21 -53.3 55.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.337 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -79.06 -33.77 16.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.171 -177.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.77 -19.63 79.83 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.889 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -63.41 -22.43 66.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.973 0.416 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.43 177.295 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 248' ' ' GLY . . . . . 0.475 ' HA2' ' SG ' ' D' ' 249' ' ' CYS . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 249' ' ' CYS . . . . . 0.504 ' SG ' HG21 ' C' ' 253' ' ' ILE . 50.3 m -98.64 5.22 47.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.87 0.366 . . . . 0.0 110.449 178.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . 142.03 -104.93 0.39 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.746 -175.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -108.07 148.04 30.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 28.8 m 71.54 -55.79 0.65 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.724 0.64 . . . . 0.0 111.795 178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 253' ' ' ILE . . . . . 0.527 HD13 HD12 ' C' ' 256' ' ' LEU . 26.5 mm -55.38 -31.27 27.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 122.833 0.453 . . . . 0.0 112.016 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -68.69 -50.62 49.51 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.868 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.7 -38.16 80.83 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.041 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . 0.527 HD12 HD13 ' C' ' 253' ' ' ILE . 82.5 mt -62.92 -56.49 16.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.932 177.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 257' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -53.44 -44.69 69.04 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.15 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.36 -48.18 80.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 259' ' ' GLU . . . . . 0.588 ' O ' ' HG2' ' C' ' 263' ' ' GLN . 3.2 pt-20 -73.63 -26.28 60.7 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.631 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 260' ' ' LEU . . . . . 0.549 ' HB2' HD12 ' D' ' 260' ' ' LEU . 65.9 tp -57.05 -47.93 79.75 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -61.08 -47.03 88.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.908 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -59.01 -48.29 82.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.61 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 263' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' C' ' 259' ' ' GLU . 63.6 mm-40 -54.53 -60.2 3.67 Favored 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.438 0.461 . . . . 0.0 111.669 -178.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 264' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' C' ' 260' ' ' LEU . 0.7 OUTLIER -64.93 -29.19 70.12 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -172.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.54 -42.33 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.552 0.215 . . . . 0.0 111.322 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 266' ' ' LYS . . . . . 0.444 ' HE2' ' CZ ' ' D' ' 267' ' ' TYR . 19.9 ptmt -80.74 -26.6 37.26 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.566 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -66.49 -37.64 85.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.351 0.596 . . . . 0.0 109.422 173.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -69.36 -38.3 78.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.712 173.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -60.15 -50.33 74.11 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.687 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 270' ' ' ILE . . . . . 0.665 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 2.6 tt -63.06 -42.45 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.705 178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 41.1 m -63.51 -38.64 91.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.612 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -58.86 -46.97 86.52 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.151 0.501 . . . . 0.0 110.002 174.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -57.68 -49.37 76.74 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.646 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 274' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 47.4 mt -65.33 -44.04 89.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.977 -177.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.0 -48.76 72.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.657 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -67.42 -44.54 78.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.014 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 277' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.22 96.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.387 -177.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 278' ' ' LEU . . . . . 0.474 ' HG ' ' SD ' ' A' ' 1' ' ' MET . 4.6 mm? -85.51 -19.66 30.84 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.973 -176.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -76.37 -27.73 56.5 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -44.23 -57.51 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.4 -1.273 . . . . 0.0 113.654 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 281' ' ' MET . . . . . 0.711 ' HG3' HG23 ' C' ' 284' ' ' ILE . 0.0 OUTLIER -81.26 -47.82 12.86 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.463 -172.123 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 282' ' ' THR . . . . . 0.689 ' H ' ' HG2' ' C' ' 281' ' ' MET . 7.3 m 71.8 -45.33 0.62 Allowed 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.847 -1.07 . . . . 0.0 112.449 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 39.8 m -119.09 71.61 0.86 Allowed 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 120.844 0.354 . . . . 0.0 111.604 -176.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 284' ' ' ILE . . . . . 0.711 HG23 ' HG3' ' C' ' 281' ' ' MET . 29.9 pt . . . . . 0 C--O 1.252 1.198 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.901 168.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 112.744 -0.142 . . . . 0.0 112.744 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.519 ' HB3' ' NZ ' ' A' ' 5' ' ' LYS . 51.7 tpp -92.04 75.71 5.49 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 117.333 0.567 . . . . 0.0 109.59 176.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 4.8 p-10 -78.94 -21.56 47.05 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.55 179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.456 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -53.24 -75.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.229 -176.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.611 HD12 ' HB ' ' B' ' 4' ' ' ILE . 0.6 OUTLIER -69.58 -36.48 71.09 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.625 -178.022 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.519 ' NZ ' ' HB3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -62.16 -45.34 93.85 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.349 -0.54 . . . . 0.0 112.08 -176.7 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 12.4 mptt -71.79 -34.95 69.83 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.545 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -63.76 -42.0 97.89 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.692 174.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.627 ' SD ' ' HE3' ' D' ' 281' ' ' MET . 19.0 ttp -55.71 -46.43 77.72 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 120.719 0.295 . . . . 0.0 110.99 177.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.4 ' O ' HD23 ' A' ' 13' ' ' LEU . 24.3 tt0 -58.72 -52.63 64.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.955 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.1 ttm -59.77 -40.32 87.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.235 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.405 HD12 ' C ' ' C' ' 284' ' ' ILE . 8.1 tt -59.6 -57.51 12.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.812 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' HD2' ' HA ' ' A' ' 12' ' ' LYS . 13.4 mmmm -66.9 -36.21 81.75 Favored 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.179 -176.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 9' ' ' GLN . 3.8 mm? -60.54 -43.0 97.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.015 0.436 . . . . 0.0 109.862 173.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.755 ' HA ' ' ND1' ' A' ' 17' ' ' HIS . 28.1 t0 -65.57 -42.28 91.98 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.098 177.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -39.1 84.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.395 177.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -61.28 -39.24 89.68 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.755 ' ND1' ' HA ' ' A' ' 14' ' ' ASP . 7.1 m80 -62.89 -56.65 15.39 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 174.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -52.28 -48.6 65.23 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 114.378 -1.283 . . . . 0.0 111.197 -179.267 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -54.96 -54.48 42.3 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 122.923 0.489 . . . . 0.0 110.779 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -64.22 -33.77 76.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.855 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.74 -46.03 87.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.337 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.706 HG22 ' HB ' ' B' ' 22' ' ' VAL . 80.5 t -60.46 -43.53 94.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.381 177.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.49 -48.84 80.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.924 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -58.47 -47.34 84.38 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.873 HD11 HG11 ' B' ' 29' ' ' VAL . 19.3 tp -65.9 -42.35 90.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.149 -175.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -59.03 -41.27 87.42 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.893 0.378 . . . . 0.0 111.047 177.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -69.25 -44.96 70.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.056 0.455 . . . . 0.0 110.107 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.4 tt -61.37 -49.0 78.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.78 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.68 HG11 HD11 ' B' ' 25' ' ' LEU . 11.5 p -64.08 -36.09 75.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.138 -0.225 . . . . 0.0 110.937 -177.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.25 -19.48 76.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.986 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -76.69 -23.42 53.17 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -176.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HB2' ' NH2' ' B' ' 32' ' ' ARG . 5.4 mpt_? . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.505 -0.759 . . . . 0.0 109.975 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.843 -0.503 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 249' ' ' CYS . . . . . 0.475 ' SG ' ' HA2' ' C' ' 248' ' ' GLY . 76.7 m 65.62 8.34 5.07 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.956 0.502 . . . . 0.0 111.782 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 104.41 -86.31 0.51 Allowed Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 121.172 -0.537 . . . . 0.0 112.071 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -174.66 172.16 3.1 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 252' ' ' SER . . . . . 0.401 ' O ' ' HG ' ' D' ' 256' ' ' LEU . 25.1 m 58.66 29.87 19.15 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.791 0.682 . . . . 0.0 110.783 178.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 253' ' ' ILE . . . . . 0.48 ' HA ' HD12 ' D' ' 256' ' ' LEU . 10.1 tp -65.09 -26.82 40.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.624 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.76 -40.76 84.03 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.185 0.517 . . . . 0.0 110.183 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.18 -34.98 73.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.812 175.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 256' ' ' LEU . . . . . 0.502 ' O ' ' HB2' ' D' ' 260' ' ' LEU . 71.9 mt -60.31 -43.38 96.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.599 176.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 257' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' D' ' 253' ' ' ILE . 47.0 mt-10 -59.59 -46.17 89.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.955 0.407 . . . . 0.0 110.301 175.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -57.17 -56.01 27.33 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.095 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 259' ' ' GLU . . . . . 0.751 ' O ' ' HG2' ' D' ' 263' ' ' GLN . 7.1 pt-20 -67.2 -31.41 71.78 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.743 -178.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 260' ' ' LEU . . . . . 0.549 HD12 ' HB2' ' C' ' 260' ' ' LEU . 8.5 tt -55.55 -55.48 31.41 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.038 0.447 . . . . 0.0 110.412 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 261' ' ' TYR . . . . . 0.458 ' O ' ' HG ' ' D' ' 265' ' ' LEU . 54.7 m-85 -55.66 -46.23 77.57 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.693 176.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -57.98 -42.1 84.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.377 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 263' ' ' GLN . . . . . 0.751 ' HG2' ' O ' ' D' ' 259' ' ' GLU . 28.5 mm-40 -49.13 -62.32 1.59 Allowed 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.222 0.326 . . . . 0.0 111.206 178.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 264' ' ' LYS . . . . . 0.46 ' HE2' HD23 ' D' ' 260' ' ' LEU . 0.1 OUTLIER -77.38 -20.81 54.17 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 119.666 -0.814 . . . . 0.0 111.701 -174.383 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 265' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' D' ' 261' ' ' TYR . 50.0 mt -66.82 -46.23 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.099 173.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 266' ' ' LYS . . . . . 0.474 ' HE2' ' HA ' ' D' ' 266' ' ' LYS . 11.1 mmpt? -69.09 -35.94 77.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.054 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 267' ' ' TYR . . . . . 0.444 ' CZ ' ' HE2' ' C' ' 266' ' ' LYS . 72.0 t80 -60.93 -46.09 92.07 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.168 0.509 . . . . 0.0 110.339 177.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -62.77 -45.19 93.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.25 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -63.19 -43.76 97.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.112 -177.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 270' ' ' ILE . . . . . 0.653 ' O ' ' HG ' ' D' ' 274' ' ' LEU . 14.0 tt -69.37 -38.42 77.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.04 -177.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 46.6 t -66.07 -38.02 87.27 Favored 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.45 -42.24 98.45 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.94 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 273' ' ' GLU . . . . . 0.554 ' HG3' ' N ' ' D' ' 274' ' ' LEU . 0.0 OUTLIER -68.36 -37.49 80.5 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.6 -179.371 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 274' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' D' ' 270' ' ' ILE . 77.5 mt -54.53 -49.94 69.04 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.409 178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 275' ' ' ASP . . . . . 0.483 ' O ' ' HD3' ' D' ' 279' ' ' LYS . 20.4 t70 -70.37 -50.04 42.92 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.398 178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -55.48 -52.24 64.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.356 -177.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 277' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' D' ' 281' ' ' MET . . . -70.48 -45.97 64.66 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -173.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 278' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' D' ' 278' ' ' LEU . 4.6 mm? -67.57 -23.54 65.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.022 0.439 . . . . 0.0 110.646 -178.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 279' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' D' ' 275' ' ' ASP . 1.6 mptm? -85.67 -24.22 27.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.882 174.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -63.81 -51.1 66.27 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 121.827 0.822 . . . . 0.0 109.567 171.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 281' ' ' MET . . . . . 0.627 ' HE3' ' SD ' ' A' ' 8' ' ' MET . 12.9 ptm -86.09 47.87 1.52 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.242 -1.344 . . . . 0.0 111.708 -172.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 282' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.93 31.18 0.05 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.131 0.491 . . . . 0.0 111.383 174.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 283' ' ' SER . . . . . 0.505 ' H ' ' C ' ' D' ' 281' ' ' MET . 7.1 p -130.25 10.94 5.39 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.687 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 284' ' ' ILE . . . . . 0.868 HG13 HD22 ' B' ' 11' ' ' LEU . 5.5 tt . . . . . 0 C--O 1.242 0.707 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 171.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.42 ' SD ' HD22 ' C' ' 274' ' ' LEU . 63.5 mtp -124.94 91.59 3.47 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -62.23 -31.7 72.28 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.019 -174.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -44.95 -68.97 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.921 0.763 . . . . 0.0 111.476 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.611 ' HB ' HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -58.86 -33.51 49.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.928 -178.408 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -70.35 -52.76 20.27 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.851 0.685 . . . . 0.0 112.851 -171.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 36.5 tttp -73.46 -30.87 63.45 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.139 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.741 ' HE3' HG23 ' D' ' 284' ' ' ILE . 26.6 mtpp -68.02 -39.01 83.22 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 174.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.528 ' SD ' ' HE3' ' C' ' 281' ' ' MET . 1.4 ttt -55.73 -45.79 77.91 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.587 172.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -56.38 -50.1 72.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.464 -176.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 36.2 ttm -69.67 -35.13 74.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.537 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.868 HD22 HG13 ' D' ' 284' ' ' ILE . 61.1 tp -61.97 -50.7 71.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.188 176.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.848 ' HE2' ' HA ' ' B' ' 12' ' ' LYS . 10.0 mmpt? -66.53 -37.24 84.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.778 -178.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -59.88 -39.67 86.09 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.06 0.457 . . . . 0.0 110.086 173.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.782 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 20.5 t70 -65.6 -45.84 81.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.318 176.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.94 -44.15 97.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.95 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -70.17 -35.66 74.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.782 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 8.2 p80 -70.26 -29.83 66.72 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 119.261 -0.976 . . . . 0.0 109.774 178.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 53.8 tp -73.06 -40.69 64.86 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.886 176.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -62.36 -42.76 99.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.08 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -61.41 -41.44 97.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.036 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -55.52 -55.41 32.23 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.978 176.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.706 ' HB ' HG22 ' A' ' 22' ' ' VAL . 11.5 p -71.11 -29.13 35.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.186 -176.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.97 -48.46 73.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.719 0.295 . . . . 0.0 110.754 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -65.76 -37.14 85.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.038 0.447 . . . . 0.0 110.557 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.68 HD11 HG11 ' A' ' 29' ' ' VAL . 21.3 tp -67.4 -43.76 80.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.31 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.443 ' HA ' HG12 ' B' ' 29' ' ' VAL . 85.7 mttt -63.38 -29.22 70.56 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.095 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -69.47 -46.37 66.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.213 0.53 . . . . 0.0 109.853 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.6 tp -66.06 -52.71 46.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.073 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.873 HG11 HD11 ' A' ' 25' ' ' LEU . 7.3 p -73.58 -24.04 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.001 0.429 . . . . 0.0 110.641 -178.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -74.67 -24.8 71.52 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.027 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.79 -37.54 79.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.07 0.462 . . . . 0.0 109.921 174.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.524 ' NH2' ' HB2' ' A' ' 32' ' ' ARG . 4.4 ptm180 . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.695 178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.366 -0.294 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 249' ' ' CYS . . . . . 0.729 ' HA ' HG13 ' C' ' 253' ' ' ILE . 5.1 p -155.61 150.85 26.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.644 0.259 . . . . 0.0 110.963 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . 159.05 -135.81 4.38 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.679 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -103.43 -25.52 13.23 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 25.3 p -69.23 -13.39 62.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.634 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 253' ' ' ILE . . . . . 0.729 HG13 ' HA ' ' C' ' 249' ' ' CYS . 13.0 mm -72.86 -29.89 30.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.376 175.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.54 -48.47 81.64 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 171.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -61.78 -38.21 87.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.97 177.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . 0.749 HD12 HD22 ' D' ' 260' ' ' LEU . 37.8 tp -49.73 -56.21 11.04 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.458 177.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 257' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -63.49 -49.67 72.66 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.177 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -56.49 -53.15 60.87 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.632 0.729 . . . . 0.0 110.66 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 259' ' ' GLU . . . . . 0.538 ' HG3' HD11 ' D' ' 260' ' ' LEU . 3.6 tp10 -65.96 -39.21 90.23 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.31 -177.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 260' ' ' LEU . . . . . 0.458 ' CD2' ' HG ' ' D' ' 256' ' ' LEU . 48.4 tp -59.24 -48.73 80.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.482 0.182 . . . . 0.0 110.79 -178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -62.4 -45.36 93.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.652 0.263 . . . . 0.0 110.512 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -62.14 -50.52 71.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.623 -178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 263' ' ' GLN . . . . . 0.406 ' HG3' ' HE2' ' D' ' 264' ' ' LYS . 81.7 mm-40 -69.64 -38.04 77.0 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -66.46 -35.36 80.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.842 0.353 . . . . 0.0 110.407 -178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.51 -43.87 88.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.301 174.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 266' ' ' LYS . . . . . 0.469 ' O ' HG22 ' C' ' 270' ' ' ILE . 63.6 mttp -62.99 -39.81 95.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.69 177.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -58.56 -45.08 89.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.607 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -71.49 -38.67 71.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.321 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -56.28 -52.22 65.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.56 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 270' ' ' ILE . . . . . 0.496 ' O ' HD13 ' C' ' 274' ' ' LEU . 2.9 tt -66.94 -43.49 89.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.051 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 56.8 m -61.24 -45.3 95.08 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.674 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -55.06 -44.99 75.28 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 273' ' ' GLU . . . . . 0.454 ' HG3' ' HA2' ' B' ' 0' ' ' GLY . 13.7 tp10 -66.84 -37.2 84.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.569 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 274' ' ' LEU . . . . . 0.522 ' HG ' ' HE1' ' A' ' 1' ' ' MET . 0.5 OUTLIER -65.97 -48.5 71.04 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 176.114 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 275' ' ' ASP . . . . . 0.428 ' O ' ' HG3' ' C' ' 279' ' ' LYS . 76.2 m-20 -52.81 -51.15 61.92 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -52.7 -58.13 7.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.016 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 277' ' ' ALA . . . . . 0.498 ' HB2' ' HA3' ' B' ' 0' ' ' GLY . . . -58.04 -37.93 75.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.246 -174.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 278' ' ' LEU . . . . . 0.571 ' CD1' ' HB ' ' A' ' 4' ' ' ILE . 3.5 mm? -81.38 -22.68 38.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -177.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 279' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' C' ' 275' ' ' ASP . 29.7 mtpp -84.7 -19.5 32.68 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.727 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -61.94 -30.63 71.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.591 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 281' ' ' MET . . . . . 0.502 ' SD ' ' HA ' ' C' ' 278' ' ' LEU . 0.8 OUTLIER -67.41 -78.25 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -174.239 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 69.2 p 63.33 -26.47 0.07 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.852 1.261 . . . . 0.0 113.143 -176.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 283' ' ' SER . . . . . 0.474 ' H ' ' C ' ' C' ' 281' ' ' MET . 31.9 m -77.39 -8.85 58.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.626 0.726 . . . . 0.0 109.055 170.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 284' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' C' ' 281' ' ' MET . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.151 0 CA-C-N 113.941 -1.482 . . . . 0.0 107.211 170.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.967 0 N-CA-C 112.268 -0.333 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.522 ' HE1' ' HG ' ' C' ' 274' ' ' LEU . 72.8 mmm -71.47 88.84 0.92 Allowed 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 171.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -53.61 -38.6 64.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.349 -0.841 . . . . 0.0 112.532 -170.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -45.41 -62.1 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.596 0.56 . . . . 0.0 111.717 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' C' ' 278' ' ' LEU . 0.5 OUTLIER -71.51 -34.78 54.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.069 -177.326 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.697 ' HE2' ' SD ' ' D' ' 281' ' ' MET . 20.5 mmtp -76.59 -32.76 58.32 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.288 -174.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -66.94 -43.72 82.46 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -60.49 -50.67 72.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.33 173.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 41.8 ttp -54.72 -39.8 68.58 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.743 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.512 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 35.0 tt0 -58.82 -57.15 14.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.431 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 62.8 mtt -63.92 -33.39 75.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.789 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.915 HD21 HD21 ' B' ' 11' ' ' LEU . 32.6 tp -59.04 -55.04 40.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.068 177.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -63.67 -35.46 80.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.055 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 9' ' ' GLN . 92.5 mt -63.67 -42.69 98.02 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.893 0.378 . . . . 0.0 110.268 176.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.717 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 22.2 t70 -66.81 -46.16 76.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.471 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.81 -41.64 91.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.674 178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -67.27 -44.04 80.35 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.399 -175.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.717 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 16.2 p80 -69.42 -31.38 69.69 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 119.907 -0.717 . . . . 0.0 110.241 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.0 tp -70.91 -42.92 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.059 0.457 . . . . 0.0 110.16 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.66 -33.74 76.6 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.351 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -72.78 -40.88 65.59 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -60.75 -51.08 70.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.852 176.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.773 ' HB ' HG22 ' B' ' 22' ' ' VAL . 15.0 p -64.69 -40.82 90.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.576 -175.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.82 81.74 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.321 0.581 . . . . 0.0 110.316 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -66.23 -43.86 85.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.444 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 tp -68.82 -41.39 78.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.731 -176.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.687 ' HA ' HG12 ' A' ' 29' ' ' VAL . 16.9 ptpt -71.91 -24.51 61.65 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.703 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HB2' ' NZ ' ' A' ' 27' ' ' LYS . 4.5 ttmp? -69.03 -43.46 74.68 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 171.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 tp -59.6 -48.88 79.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.273 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 26' ' ' LYS . 10.1 p -71.84 -19.76 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.062 0.458 . . . . 0.0 110.58 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -77.98 -19.88 74.26 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.863 174.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -71.82 -19.14 62.03 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 119.067 -0.492 . . . . 0.0 110.978 -179.112 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.833 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 249' ' ' CYS . . . . . 0.616 ' HB3' HG13 ' D' ' 253' ' ' ILE . 35.1 t -110.2 90.86 3.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 78.74 -86.74 1.15 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.822 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -170.25 156.55 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 40.0 m 76.79 -29.75 0.17 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.497 0.719 . . . . 0.0 112.039 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 253' ' ' ILE . . . . . 0.616 HG13 ' HB3' ' D' ' 249' ' ' CYS . 13.0 mm -56.03 -41.48 68.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -69.93 -31.53 69.33 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.862 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.73 -48.55 68.81 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 256' ' ' LEU . . . . . 0.494 ' HA ' ' HG2' ' D' ' 259' ' ' GLU . 10.1 mp -60.28 -41.22 92.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.117 177.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 257' ' ' GLU . . . . . 0.479 ' HA ' ' CD1' ' C' ' 256' ' ' LEU . 33.9 tt0 -61.94 -50.52 71.83 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.57 178.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.47 -46.79 80.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.957 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 259' ' ' GLU . . . . . 0.635 ' O ' ' HG2' ' D' ' 263' ' ' GLN . 2.5 pt-20 -75.18 -25.36 58.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -175.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 260' ' ' LEU . . . . . 0.749 HD22 HD12 ' C' ' 256' ' ' LEU . 61.3 tp -61.48 -49.36 77.09 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.011 0.434 . . . . 0.0 109.94 176.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 261' ' ' TYR . . . . . 0.585 ' O ' ' HG ' ' D' ' 265' ' ' LEU . 66.8 m-85 -63.43 -34.69 78.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.11 176.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.54 88.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.928 177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 263' ' ' GLN . . . . . 0.635 ' HG2' ' O ' ' D' ' 259' ' ' GLU . 79.6 mm-40 -51.38 -52.18 48.07 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.667 175.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 264' ' ' LYS . . . . . 0.406 ' HE2' ' HG3' ' C' ' 263' ' ' GLN . 2.0 mptm? -58.97 -45.75 89.77 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.276 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 265' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' D' ' 261' ' ' TYR . 78.3 mt -59.75 -47.07 87.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.988 -179.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 266' ' ' LYS . . . . . 0.851 ' HE2' ' HA ' ' D' ' 266' ' ' LYS . 10.4 mmpt? -72.52 -37.93 68.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.339 -178.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -59.9 -44.86 94.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.779 0.323 . . . . 0.0 110.372 178.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -66.88 -44.93 79.6 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -57.5 -49.52 76.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.521 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 270' ' ' ILE . . . . . 0.547 ' O ' HD13 ' D' ' 270' ' ' ILE . 0.0 OUTLIER -68.69 -36.6 75.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 120.559 0.219 . . . . 0.0 110.517 -177.462 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 60.5 m -65.06 -45.07 86.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.989 0.423 . . . . 0.0 110.368 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.4 -36.38 83.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.384 0.611 . . . . 0.0 109.749 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.18 -55.81 21.97 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.073 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 274' ' ' LEU . . . . . 0.554 ' HB2' ' SD ' ' B' ' 1' ' ' MET . 4.6 pp -63.68 -31.5 72.69 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.04 -176.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 275' ' ' ASP . . . . . 0.48 ' N ' HD12 ' D' ' 274' ' ' LEU . 12.4 t70 -61.63 -55.0 35.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 110.149 174.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -67.28 -40.44 86.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 -177.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -64.46 -47.35 79.35 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -175.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 278' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.1 -25.66 39.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.726 0.298 . . . . 0.0 111.358 -175.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 279' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -85.29 -19.6 31.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.263 0.554 . . . . 0.0 110.194 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -38.47 88.73 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 122.093 0.949 . . . . 0.0 110.61 174.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 281' ' ' MET . . . . . 0.697 ' SD ' ' HE2' ' A' ' 5' ' ' LYS . 5.9 ptm -100.76 44.38 1.02 Allowed 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.169 -1.378 . . . . 0.0 112.246 -165.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 282' ' ' THR . . . . . . . . . . . . . 25.2 p -69.83 31.32 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.818 173.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 283' ' ' SER . . . . . 0.488 ' H ' ' C ' ' D' ' 281' ' ' MET . 50.9 m -145.11 17.52 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.751 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 284' ' ' ILE . . . . . 0.528 ' OXT' ' HB3' ' B' ' 7' ' ' LYS . 11.7 tt . . . . . 0 C--O 1.242 0.675 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 175.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . 0.498 ' HA3' ' HB2' ' C' ' 277' ' ' ALA . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.554 ' SD ' ' HB2' ' D' ' 274' ' ' LEU . 76.0 mtm -88.95 96.68 10.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.149 0.499 . . . . 0.0 109.924 177.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.653 ' HA ' ' HB2' ' B' ' 5' ' ' LYS . 4.4 p-10 -65.92 -18.49 65.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.483 -174.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -46.12 -63.75 0.91 Allowed 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.381 0.426 . . . . 0.0 111.923 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.534 HG13 ' CD1' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -74.62 -28.36 21.96 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.351 179.246 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.653 ' HB2' ' HA ' ' B' ' 2' ' ' ASP . 0.2 OUTLIER -57.77 -49.3 77.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.893 0.378 . . . . 0.0 110.795 178.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -65.83 -49.17 69.17 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.977 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.528 ' HB3' ' OXT' ' D' ' 284' ' ' ILE . 31.5 mtmm -65.07 -37.39 87.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.205 -178.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 2.1 ttt -57.13 -41.51 79.22 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 122.495 0.318 . . . . 0.0 110.869 174.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 51.2 tt0 -60.23 -49.46 77.53 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.0 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 65.2 mtt -64.32 -43.31 95.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.318 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.915 HD21 HD21 ' A' ' 11' ' ' LEU . 21.0 tp -53.93 -58.28 7.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.822 177.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.461 ' HE2' ' HB3' ' C' ' 283' ' ' SER . 0.8 OUTLIER -66.82 -30.43 70.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.167 -175.146 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 78.1 mt -69.96 -36.55 75.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.891 0.377 . . . . 0.0 110.443 175.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.636 ' HA ' ' CD2' ' B' ' 17' ' ' HIS . 27.9 t70 -67.34 -43.3 81.89 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 175.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.63 -36.85 84.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.585 177.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -63.24 -47.86 80.65 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.913 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.636 ' CD2' ' HA ' ' B' ' 14' ' ' ASP . 14.6 p80 -76.06 -21.3 56.93 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.108 -0.637 . . . . 0.0 110.026 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' B' ' 21' ' ' GLU . 7.5 tp -75.34 -37.77 60.52 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -55.97 -46.93 78.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.681 172.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -63.91 -39.95 95.36 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.208 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.556 ' HG3' HG21 ' A' ' 22' ' ' VAL . 6.2 tp10 -53.03 -52.75 57.46 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.469 174.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.773 HG22 ' HB ' ' A' ' 22' ' ' VAL . 47.2 t -65.52 -45.0 93.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.672 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.12 -49.88 74.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.617 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -61.67 -42.48 98.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.042 0.449 . . . . 0.0 111.095 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.45 HD21 ' N ' ' A' ' 26' ' ' LYS . 64.6 tp -64.5 -52.86 55.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.216 -177.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.453 ' HD2' HG12 ' B' ' 22' ' ' VAL . 11.4 ptmm? -69.16 -24.72 64.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.071 0.462 . . . . 0.0 109.995 -177.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.469 ' HE3' ' HB2' ' B' ' 27' ' ' LYS . 35.7 ttmt -65.67 -46.05 80.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.849 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 46.4 tp -64.48 -44.96 89.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.404 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 63.0 t -68.54 -41.66 83.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.402 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.22 -25.2 75.08 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.899 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -70.87 -19.54 62.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.358 . . . . 0.0 111.187 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.481 -0.771 . . . . 0.0 111.149 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 249' ' ' CYS . . . . . 0.723 ' HA ' HG13 ' C' ' 253' ' ' ILE . 76.5 m 65.73 -168.61 0.21 Allowed 'General case' 0 C--O 1.232 0.182 0 C-N-CA 122.607 0.363 . . . . 0.0 110.7 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . 90.61 -44.99 2.9 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.094 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 251' ' ' LYS . . . . . 0.506 ' O ' ' HD3' ' C' ' 251' ' ' LYS . 0.0 OUTLIER -73.78 79.0 1.57 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.539 0.685 . . . . 0.0 111.896 -178.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 68.4 m 61.43 19.19 10.04 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.036 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 253' ' ' ILE . . . . . 0.723 HG13 ' HA ' ' C' ' 249' ' ' CYS . 34.4 mm -68.05 -39.7 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.01 0.433 . . . . 0.0 109.901 176.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 254' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.88 -48.51 79.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.602 175.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.15 -53.27 45.02 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.749 174.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . 0.439 ' O ' HD11 ' D' ' 260' ' ' LEU . 5.7 mp -57.97 -56.15 25.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.848 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 257' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -63.89 -37.61 88.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.736 0.303 . . . . 0.0 111.104 -174.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -58.61 -54.46 46.84 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.938 0.875 . . . . 0.0 109.672 175.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 259' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' C' ' 263' ' ' GLN . 3.6 tp10 -59.16 -38.26 79.32 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 113.893 -1.503 . . . . 0.0 110.344 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 260' ' ' LEU . . . . . 0.485 ' HA ' ' HG2' ' C' ' 263' ' ' GLN . 21.9 tp -54.16 -48.84 70.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.425 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -61.5 -43.99 97.88 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.903 0.382 . . . . 0.0 110.66 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 262' ' ' ALA . . . . . . . . . . . . . . . -65.47 -48.18 73.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.229 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 263' ' ' GLN . . . . . 0.504 ' HA ' ' HG2' ' C' ' 266' ' ' LYS . 11.7 pt20 -69.07 -36.58 77.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.558 -176.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -66.88 -35.9 81.08 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 120.073 -0.651 . . . . 0.0 110.047 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 265' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.76 -46.14 76.29 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.64 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 266' ' ' LYS . . . . . 0.504 ' HG2' ' HA ' ' C' ' 263' ' ' GLN . 17.4 ptpt -73.56 -31.83 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.186 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -66.72 -37.56 84.93 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.957 0.408 . . . . 0.0 110.038 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 268' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' C' ' 272' ' ' GLU . 54.5 tttm -67.51 -44.47 78.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.052 173.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.06 91.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.757 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 270' ' ' ILE . . . . . 0.607 HD11 HD11 ' D' ' 274' ' ' LEU . 12.7 tt -75.36 -34.93 31.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 271' ' ' SER . . . . . . . . . . . . . 25.7 p -71.75 -39.03 70.3 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.753 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 272' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' C' ' 268' ' ' LYS . 12.4 pt-20 -74.73 -26.73 60.0 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 273' ' ' GLU . . . . . 0.451 ' HB3' ' O ' ' C' ' 270' ' ' ILE . 9.0 tp10 -57.7 -50.38 73.41 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 172.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 274' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' C' ' 270' ' ' ILE . 73.7 mt -59.91 -46.22 90.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.748 176.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.11 -55.62 32.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.029 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -65.41 -28.61 69.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 277' ' ' ALA . . . . . 0.489 ' HB2' ' HA2' ' B' ' 0' ' ' GLY . . . -65.15 -44.47 88.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.529 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 278' ' ' LEU . . . . . 0.431 ' HG ' ' HB3' ' A' ' 3' ' ' ALA . 4.3 mm? -86.01 -26.73 25.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.426 -177.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -75.87 -20.75 57.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.615 0.245 . . . . 0.0 110.726 175.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -47.78 -56.42 7.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.585 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 281' ' ' MET . . . . . 0.414 ' HG2' ' SD ' ' B' ' 8' ' ' MET . 0.0 OUTLIER -103.87 -53.23 2.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.688 -175.286 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 4.6 t 46.05 23.63 0.2 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.023 0.929 . . . . 0.0 111.688 -175.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 14.7 m -121.6 63.76 0.9 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 284' ' ' ILE . . . . . 0.561 HG23 ' HE2' ' A' ' 7' ' ' LYS . 4.1 tt . . . . . 0 C--O 1.248 0.983 0 CA-C-N 114.85 -1.068 . . . . 0.0 109.15 -175.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . 0.403 ' O ' ' HD3' ' A' ' 5' ' ' LYS . . . . . . . . 0 N--CA 1.485 1.964 0 CA-C-O 119.984 -0.342 . . . . 0.0 112.611 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.485 ' HB3' HG22 ' A' ' 4' ' ' ILE . 3.3 mpp? 54.38 88.4 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.869 0.868 . . . . 0.0 112.53 -178.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -68.59 -23.82 64.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.117 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.431 ' HB3' ' HG ' ' C' ' 278' ' ' LEU . . . -56.02 -63.44 1.18 Allowed 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.334 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.591 HD12 ' HB ' ' B' ' 4' ' ' ILE . 0.7 OUTLIER -69.11 -41.12 81.35 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.525 -177.729 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.595 ' HE2' ' SD ' ' D' ' 281' ' ' MET . 0.7 OUTLIER -66.72 -40.37 88.36 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -174.701 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -61.96 -51.63 67.31 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.25 0.547 . . . . 0.0 110.162 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.561 ' HE2' HG23 ' C' ' 284' ' ' ILE . 37.0 mtmm -75.01 -22.6 58.4 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.248 -177.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.469 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 35.6 ttp -60.87 -48.63 80.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.742 0.306 . . . . 0.0 110.491 173.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.404 ' O ' HD23 ' A' ' 13' ' ' LEU . 30.0 tt0 -61.61 -43.46 98.81 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 54.6 ttp -57.8 -49.62 76.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.218 174.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.2 tp -56.25 -55.66 30.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.685 179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 8' ' ' MET . 14.1 mmmm -63.45 -36.03 82.4 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.131 -0.227 . . . . 0.0 110.792 -175.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 9' ' ' GLN . 3.2 mm? -62.42 -38.02 88.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.055 0.455 . . . . 0.0 110.299 175.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.758 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 35.7 t70 -65.87 -41.4 91.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.919 175.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -63.56 -46.18 87.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.426 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -58.66 -47.93 82.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.854 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.758 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 3.7 p80 -70.2 -19.83 63.14 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.295 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.8 tp -78.09 -44.65 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 175.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.14 -49.33 78.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.369 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -66.54 -37.94 86.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.107 178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.647 ' HB2' ' O ' ' A' ' 17' ' ' HIS . 22.6 tt0 -63.96 -47.64 79.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.779 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.56 ' HB ' HG22 ' B' ' 22' ' ' VAL . 12.9 p -66.59 -33.28 62.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.74 0.305 . . . . 0.0 110.563 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.72 -46.65 74.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.118 0.485 . . . . 0.0 110.482 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -70.47 -29.94 66.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.93 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 tp -66.57 -45.84 77.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.691 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HB3' HD21 ' B' ' 25' ' ' LEU . 17.1 ptpt -72.9 -21.49 60.9 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.781 0.324 . . . . 0.0 110.506 178.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 62.9 tttp -74.1 -37.81 64.03 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 172.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.6 -47.34 81.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.323 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.762 ' HB ' HG22 ' B' ' 29' ' ' VAL . 14.9 p -73.5 -35.94 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.711 0.291 . . . . 0.0 110.646 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.88 -19.42 79.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.344 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.556 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 5.1 tp10 -69.67 -19.46 63.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.345 0.593 . . . . 0.0 110.348 179.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.211 -177.875 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 112.67 -0.172 . . . . 0.0 112.67 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 249' ' ' CYS . . . . . . . . . . . . . 52.0 t -153.61 -31.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.203 0.525 . . . . 0.0 110.696 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 164.14 -58.51 0.27 Allowed Glycine 0 N--CA 1.441 -0.975 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -177.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -153.82 162.41 41.25 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 22.2 t 76.09 -67.52 0.23 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.508 0.723 . . . . 0.0 110.126 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 253' ' ' ILE . . . . . 0.5 ' O ' ' HG3' ' D' ' 257' ' ' GLU . 14.2 mm -64.67 -42.09 94.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.769 0.318 . . . . 0.0 110.573 178.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.46 -44.03 95.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.279 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -54.76 -44.36 73.58 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.751 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 256' ' ' LEU . . . . . 0.444 ' HA ' HD13 ' D' ' 256' ' ' LEU . 1.8 mm? -66.97 -40.79 87.52 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.007 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 257' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' D' ' 253' ' ' ILE . 59.9 mt-10 -54.84 -51.66 65.2 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.132 0.492 . . . . 0.0 111.056 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -59.8 -49.81 76.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.684 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 259' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' D' ' 263' ' ' GLN . 11.6 tp10 -76.65 -30.99 57.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.724 -173.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 260' ' ' LEU . . . . . 0.439 HD11 ' O ' ' C' ' 256' ' ' LEU . 6.8 tt -65.19 -42.65 93.39 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 261' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -63.05 -39.51 94.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.692 174.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 262' ' ' ALA . . . . . . . . . . . . . . . -63.83 -47.9 78.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.812 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 263' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' D' ' 259' ' ' GLU . 35.8 mm-40 -55.69 -47.56 76.58 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.91 0.386 . . . . 0.0 110.895 175.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -63.58 -39.29 94.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.618 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 27.8 tp -68.39 -34.93 76.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.197 178.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 266' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -73.64 -30.3 62.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.771 176.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 267' ' ' TYR . . . . . 0.47 ' HA ' HG22 ' D' ' 270' ' ' ILE . 89.3 t80 -66.45 -40.61 89.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.129 0.49 . . . . 0.0 109.891 175.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -64.1 -46.66 83.26 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 173.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.21 96.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.599 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 270' ' ' ILE . . . . . 0.714 ' O ' ' HG ' ' D' ' 274' ' ' LEU . 12.4 tt -68.51 -40.28 81.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 121.332 -0.147 . . . . 0.0 111.277 -176.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 27.2 t -62.68 -48.04 81.02 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -56.78 -44.37 81.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.709 173.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -61.58 -53.33 57.78 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.263 -176.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 274' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' D' ' 270' ' ' ILE . 16.8 mt -55.97 -52.19 65.06 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.992 0.425 . . . . 0.0 110.758 -177.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 275' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' D' ' 279' ' ' LYS . 14.5 t70 -62.66 -51.54 66.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.685 -176.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -71.87 -34.51 69.26 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.323 -175.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 277' ' ' ALA . . . . . 0.552 ' HA ' ' OD2' ' D' ' 280' ' ' ASP . . . -60.75 -48.02 83.68 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.013 0.435 . . . . 0.0 111.157 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 278' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' D' ' 278' ' ' LEU . 4.1 mm? -75.7 -19.56 59.02 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.17 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 279' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' D' ' 275' ' ' ASP . 1.9 tppp? -77.99 -32.7 51.36 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 176.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 280' ' ' ASP . . . . . 0.552 ' OD2' ' HA ' ' D' ' 277' ' ' ALA . 71.6 m-20 -51.37 -57.89 7.71 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.816 0.817 . . . . 0.0 110.865 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 281' ' ' MET . . . . . 0.669 ' HG3' ' H ' ' D' ' 282' ' ' THR . 9.6 ptm -70.05 -75.47 0.12 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.944 -1.48 . . . . 0.0 112.784 -171.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 282' ' ' THR . . . . . 0.669 ' H ' ' HG3' ' D' ' 281' ' ' MET . 16.5 p 47.1 23.1 0.26 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.201 0.6 . . . . 0.0 112.142 -171.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 38.1 t -131.21 71.81 1.48 Allowed 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.586 0.708 . . . . 0.0 109.577 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 284' ' ' ILE . . . . . 0.581 HG23 ' HB3' ' B' ' 7' ' ' LYS . 6.6 tt . . . . . 0 C--O 1.246 0.909 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.398 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . 0.489 ' HA2' ' HB2' ' C' ' 277' ' ' ALA . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.569 ' H ' ' HD3' ' B' ' 5' ' ' LYS . 94.3 mmm -119.56 108.76 14.9 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 176.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -41.71 -54.44 3.3 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.131 0.972 . . . . 0.0 113.293 -172.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.55 -61.88 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -173.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.591 ' HB ' HD12 ' A' ' 4' ' ' ILE . 0.8 OUTLIER -68.69 -37.72 77.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.511 -176.267 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.569 ' HD3' ' H ' ' B' ' 1' ' ' MET . 0.2 OUTLIER -56.91 -56.91 15.63 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.072 0.463 . . . . 0.0 111.227 -178.164 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -65.53 -45.89 81.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.473 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.581 ' HB3' HG23 ' D' ' 284' ' ' ILE . 21.0 mtmm -69.09 -34.31 74.91 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.414 ' SD ' ' HG2' ' C' ' 281' ' ' MET . 16.7 ttt -59.86 -44.14 94.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.5 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -64.34 -42.2 96.37 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.293 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 66.8 mtt -61.72 -46.71 88.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.952 0.406 . . . . 0.0 109.996 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 tp -51.43 -59.08 4.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.747 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -62.13 -41.05 97.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.979 -173.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.69 -39.26 77.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.992 0.425 . . . . 0.0 110.868 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.774 ' HA ' ' CE1' ' B' ' 17' ' ' HIS . 30.0 t0 -67.41 -44.3 79.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.943 0.402 . . . . 0.0 110.228 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . 0.429 HD22 ' N ' ' B' ' 15' ' ' ASN . 0.9 OUTLIER -64.72 -23.94 67.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.264 176.33 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.07 -41.71 85.95 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.757 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.774 ' CE1' ' HA ' ' B' ' 14' ' ' ASP . 4.6 m80 -62.85 -48.67 78.05 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 174.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.496 ' O ' HG23 ' B' ' 22' ' ' VAL . 9.2 mp -49.5 -59.4 3.78 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.874 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -69.1 -26.02 64.71 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.108 -177.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.414 ' HB3' ' O ' ' B' ' 17' ' ' HIS . 9.3 t30 -55.51 -43.57 75.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 175.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.73 -43.8 71.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.26 176.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.56 HG22 ' HB ' ' A' ' 22' ' ' VAL . 46.2 t -56.28 -46.3 81.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.029 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.43 89.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.367 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 66.6 mtp85 -71.44 -29.5 64.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.869 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.554 ' O ' HG23 ' B' ' 29' ' ' VAL . 46.9 tp -73.61 -48.35 33.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.673 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -61.24 -32.99 72.79 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.973 0.416 . . . . 0.0 109.952 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -69.16 -42.4 75.97 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.166 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 tp -63.6 -41.61 98.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.955 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.762 HG22 ' HB ' ' A' ' 29' ' ' VAL . 50.5 t -65.1 -46.69 90.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.699 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.41 -19.86 79.75 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.527 -178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -62.11 -44.09 97.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.157 0.503 . . . . 0.0 110.541 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.03 -175.618 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 112.087 -0.405 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 249' ' ' CYS . . . . . . . . . . . . . 25.8 p -165.62 -177.24 4.28 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 250' ' ' GLY . . . . . . . . . . . . . . . -85.25 34.44 3.26 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.092 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 251' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp 72.44 -67.18 0.27 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.86 0.864 . . . . 0.0 110.596 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 252' ' ' SER . . . . . . . . . . . . . 16.0 m -76.26 79.51 3.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.127 0.489 . . . . 0.0 109.864 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 253' ' ' ILE . . . . . 0.592 HD11 HD12 ' D' ' 253' ' ' ILE . 10.8 tp -84.99 -27.61 6.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.149 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 254' ' ' ASP . . . . . 0.54 ' O ' ' HG3' ' C' ' 257' ' ' GLU . 17.7 m-20 -68.16 -38.88 82.56 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 255' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -74.03 -19.78 60.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.095 177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . 0.435 ' HG ' HD22 ' D' ' 260' ' ' LEU . 7.8 tp -75.96 -42.47 48.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.95 -179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 257' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' C' ' 254' ' ' ASP . 1.9 pt-20 -68.55 -31.36 70.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.403 174.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 258' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -57.83 -53.67 55.58 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 171.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 259' ' ' GLU . . . . . 0.434 ' HG2' HD11 ' D' ' 260' ' ' LEU . 3.8 tp10 -56.01 -42.91 77.17 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.171 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 260' ' ' LEU . . . . . 0.728 HD22 ' HG ' ' D' ' 256' ' ' LEU . 58.3 tp -56.1 -55.09 37.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.892 0.377 . . . . 0.0 111.261 -178.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 261' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -70.25 -35.18 73.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.083 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 262' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' C' ' 265' ' ' LEU . . . -60.71 -54.02 50.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.6 178.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 263' ' ' GLN . . . . . 0.516 ' HA ' ' OE1' ' C' ' 263' ' ' GLN . 11.6 mm-40 -66.48 -24.35 66.4 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -178.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 264' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -71.66 -46.46 58.9 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.154 174.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 265' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' C' ' 262' ' ' ALA . 4.5 pp -72.63 -31.29 65.03 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.621 -0.431 . . . . 0.0 110.254 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 266' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -69.34 -40.15 77.73 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.595 176.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 267' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -64.65 -44.04 91.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.795 0.331 . . . . 0.0 110.11 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 268' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -60.77 -50.81 71.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.423 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 269' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.9 94.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.499 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 270' ' ' ILE . . . . . 0.494 HD13 ' O ' ' C' ' 270' ' ' ILE . 0.2 OUTLIER -72.93 -33.86 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-O 120.728 0.299 . . . . 0.0 110.329 -177.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 271' ' ' SER . . . . . 0.558 ' O ' ' HG ' ' C' ' 274' ' ' LEU . 58.7 m -68.96 -47.91 64.47 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.921 0.391 . . . . 0.0 110.464 177.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 272' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -72.99 -19.31 61.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.981 0.42 . . . . 0.0 110.166 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 273' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -64.67 -58.27 6.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.206 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 274' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' C' ' 271' ' ' SER . 4.6 pp -61.04 -30.3 70.23 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.516 -178.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 275' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -57.7 -62.22 1.95 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.371 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 276' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -67.84 -32.43 72.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.244 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 277' ' ' ALA . . . . . 0.512 ' HB1' ' HD3' ' B' ' 5' ' ' LYS . . . -64.44 -46.79 81.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.9 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 278' ' ' LEU . . . . . 0.641 HD13 ' HB3' ' A' ' 3' ' ' ALA . 23.2 mt -86.45 -24.54 25.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.401 -176.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 279' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -79.95 -19.85 47.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.931 0.396 . . . . 0.0 110.428 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 280' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -55.99 -40.04 72.72 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 121.795 0.807 . . . . 0.0 109.553 169.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 281' ' ' MET . . . . . 0.638 ' HE1' HG13 ' B' ' 4' ' ' ILE . 5.5 ptp -98.13 64.09 1.64 Allowed 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.975 -178.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 282' ' ' THR . . . . . . . . . . . . . 14.0 t -82.38 6.06 18.33 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.501 172.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 283' ' ' SER . . . . . . . . . . . . . 11.7 m -125.91 12.37 7.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.967 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 284' ' ' ILE . . . . . 0.591 ' HB ' ' HB2' ' C' ' 281' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.946 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . 0.469 ' HA3' ' HG2' ' D' ' 273' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.84 0 N-CA-C 112.205 -0.358 . . . . 0.0 112.205 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.507 ' SD ' HD21 ' D' ' 278' ' ' LEU . 23.1 mtt -75.64 83.55 2.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.247 0.546 . . . . 0.0 110.596 178.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -70.17 -33.51 71.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.506 -175.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.641 ' HB3' HD13 ' C' ' 278' ' ' LEU . . . -57.69 -62.51 1.75 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.794 -175.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.65 HD12 ' HB ' ' B' ' 4' ' ' ILE . 1.3 tt -65.61 -39.43 84.97 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.0 -176.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -59.7 -51.86 67.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.733 0.302 . . . . 0.0 111.04 -176.63 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -67.95 -44.38 76.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.704 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HB3' HG23 ' C' ' 284' ' ' ILE . 22.4 mtmm -67.7 -32.33 72.89 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.054 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.2 ttp -54.7 -48.47 72.41 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.015 0.436 . . . . 0.0 110.08 172.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -58.58 -53.12 61.91 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.438 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 90.6 mtp -60.34 -47.33 86.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.163 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.656 HD21 HD21 ' B' ' 11' ' ' LEU . 57.5 tp -60.38 -49.96 75.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.373 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -63.81 -39.01 93.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.001 -175.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 13' ' ' LEU . 4.4 mm? -73.34 -36.87 66.24 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.011 0.434 . . . . 0.0 110.868 177.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.456 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 37.3 t70 -65.33 -49.5 69.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.216 0.531 . . . . 0.0 110.005 178.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.487 ' HA ' ' HB2' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -67.08 -24.86 66.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.448 177.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.59 -45.74 91.5 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.491 176.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.456 ' CD2' ' HA ' ' A' ' 14' ' ' ASP . 25.4 p80 -75.08 -19.83 59.78 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.163 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.487 ' HB2' ' HA ' ' A' ' 15' ' ' ASN . 5.2 mp -69.16 -55.32 10.99 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.762 0.315 . . . . 0.0 110.557 172.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.552 ' HA ' HG12 ' A' ' 22' ' ' VAL . 16.8 pt-20 -70.56 -26.47 63.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.018 -177.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.631 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 28.1 t-20 -72.73 -41.28 65.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.42 -44.11 97.7 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.532 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' ' 19' ' ' GLU . 12.5 p -72.51 -26.62 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.526 178.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.498 ' HA ' ' HG2' ' A' ' 26' ' ' LYS . . . -66.84 -41.41 87.46 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.161 0.505 . . . . 0.0 110.312 175.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.631 ' HG2' ' O ' ' A' ' 20' ' ' ASN . 25.0 mmm180 -64.08 -39.81 94.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.612 176.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.712 HD11 HG21 ' B' ' 29' ' ' VAL . 2.9 tm? -72.63 -43.31 63.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.009 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.498 ' HG2' ' HA ' ' A' ' 23' ' ' ALA . 14.1 ptmm? -65.97 -30.13 70.64 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.254 -0.178 . . . . 0.0 111.048 -177.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -76.08 -39.54 55.15 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.501 -0.48 . . . . 0.0 109.932 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.7 tt -60.68 -52.05 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.453 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG11 HD11 ' B' ' 25' ' ' LEU . 11.7 p -74.95 -27.77 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 111.072 -178.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -73.79 -34.86 55.67 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.865 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -85.32 -57.88 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.74 0.305 . . . . 0.0 110.259 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.791 -175.616 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 248' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 112.031 -0.428 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 249' ' ' CYS . . . . . . . . . . . . . 38.2 t -137.42 -26.23 1.0 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.811 0.339 . . . . 0.0 111.033 -174.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 250' ' ' GLY . . . . . . . . . . . . . . . 157.34 -53.61 0.4 Allowed Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.665 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 251' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -157.45 159.62 37.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 252' ' ' SER . . . . . . . . . . . . . 22.9 m 70.77 -63.62 0.41 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.928 0.768 . . . . 0.0 111.587 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 253' ' ' ILE . . . . . 0.592 HD12 HD11 ' C' ' 253' ' ' ILE . 11.9 mm -64.43 -33.02 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 110.72 178.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 254' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.83 -42.85 99.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.187 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 255' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.83 -44.03 86.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.072 176.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 256' ' ' LEU . . . . . 0.728 ' HG ' HD22 ' C' ' 260' ' ' LEU . 5.5 mp -57.04 -52.59 64.66 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.769 175.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 257' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -59.81 -38.71 82.74 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.132 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 258' ' ' ASP . . . . . 0.608 ' HA ' ' CE2' ' D' ' 261' ' ' TYR . 22.6 t70 -63.55 -57.56 9.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.702 0.763 . . . . 0.0 110.428 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 259' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -64.39 -25.33 67.97 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.507 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 260' ' ' LEU . . . . . 0.435 HD22 ' HG ' ' C' ' 256' ' ' LEU . 32.2 tp -60.45 -58.26 9.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.162 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 261' ' ' TYR . . . . . 0.608 ' CE2' ' HA ' ' D' ' 258' ' ' ASP . 19.1 p90 -68.23 -26.96 65.96 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.802 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 262' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' D' ' 266' ' ' LYS . . . -60.78 -58.78 7.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.132 175.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 263' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -56.34 -45.09 80.56 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.186 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 264' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -63.75 -39.76 95.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.463 -176.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 265' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.8 -36.79 65.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.152 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 266' ' ' LYS . . . . . 0.649 ' HE2' ' HA ' ' D' ' 266' ' ' LYS . 10.4 mmpt? -64.16 -41.21 97.25 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 175.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 267' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.45 -39.66 95.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.244 177.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 268' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -61.51 -49.3 77.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.29 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 269' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.15 82.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.315 -177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 270' ' ' ILE . . . . . 0.419 HD13 HG23 ' C' ' 270' ' ' ILE . 15.1 tt -70.33 -37.5 71.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.358 -176.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 271' ' ' SER . . . . . . . . . . . . . 9.8 t -68.93 -43.47 75.06 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 272' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -63.69 -49.87 71.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.264 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 273' ' ' GLU . . . . . 0.469 ' HG2' ' HA3' ' A' ' 0' ' ' GLY . 29.2 tp10 -57.17 -53.23 60.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.605 -177.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 274' ' ' LEU . . . . . 0.419 ' O ' HD23 ' D' ' 278' ' ' LEU . 8.7 mp -61.55 -45.93 92.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.539 -175.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 275' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -65.07 -44.35 89.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.022 0.439 . . . . 0.0 110.471 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 276' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -62.87 -50.3 71.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.69 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 277' ' ' ALA . . . . . . . . . . . . . . . -61.61 -30.15 70.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.38 -177.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 278' ' ' LEU . . . . . 0.507 HD21 ' SD ' ' A' ' 1' ' ' MET . 4.3 mm? -85.14 -20.43 30.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.769 0.318 . . . . 0.0 111.212 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 279' ' ' LYS . . . . . 0.499 ' O ' HG23 ' D' ' 282' ' ' THR . 8.5 tppt? -82.21 -38.32 24.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.119 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 280' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -49.25 -48.77 45.5 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.199 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 281' ' ' MET . . . . . 0.435 ' HB3' ' HE2' ' D' ' 281' ' ' MET . 26.4 mtp -55.15 -67.06 0.3 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.596 -168.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 282' ' ' THR . . . . . 0.499 HG23 ' O ' ' D' ' 279' ' ' LYS . 20.7 p 46.81 26.13 0.53 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.17 0.588 . . . . 0.0 112.544 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 283' ' ' SER . . . . . . . . . . . . . 40.2 m -155.69 68.45 0.65 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.138 0.494 . . . . 0.0 109.758 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 284' ' ' ILE . . . . . . . . . . . . . 9.0 tt . . . . . 0 C--O 1.253 1.287 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.319 178.249 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.892 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.429 ' HG3' HG22 ' B' ' 4' ' ' ILE . 35.7 tpp -62.83 105.18 0.63 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.014 0.435 . . . . 0.0 110.166 174.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -47.37 -54.44 11.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.71 -173.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.42 -58.62 5.75 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -172.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.65 ' HB ' HD12 ' A' ' 4' ' ' ILE . 1.8 tp -78.07 -31.34 16.54 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.546 0 C-N-CA 120.771 -0.371 . . . . 0.0 111.473 -177.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.884 ' HA ' ' HE2' ' B' ' 5' ' ' LYS . 0.1 OUTLIER -65.06 -47.97 75.45 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.921 -0.487 . . . . 0.0 111.139 -178.325 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -72.29 -40.4 67.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.361 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -66.7 -30.85 71.2 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.768 175.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 41.0 ttp -61.33 -43.53 98.72 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.555 ' O ' ' HG ' ' B' ' 13' ' ' LEU . 57.0 tt0 -59.85 -46.52 89.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.217 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 91.8 mtp -68.62 -36.95 79.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.067 0.46 . . . . 0.0 110.73 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.656 HD21 HD21 ' A' ' 11' ' ' LEU . 44.8 tp -60.68 -51.27 70.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.63 176.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -61.1 -34.43 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.714 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' B' ' 9' ' ' GLN . 93.6 mt -60.38 -47.14 87.37 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.007 0.432 . . . . 0.0 110.348 173.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.733 ' HA ' ' HD2' ' B' ' 17' ' ' HIS . 37.9 t70 -63.22 -50.27 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.474 178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -56.84 -44.78 82.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.725 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.46 -44.06 83.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.733 ' HD2' ' HA ' ' B' ' 14' ' ' ASP . 3.1 p80 -70.43 -29.06 65.55 Favored 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 119.592 -0.843 . . . . 0.0 109.863 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.531 ' O ' HG23 ' B' ' 22' ' ' VAL . 62.0 mt -67.01 -50.97 60.5 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 173.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -56.64 -36.97 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.946 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.576 ' O ' ' HG2' ' B' ' 24' ' ' ARG . 24.0 t-20 -70.58 -48.13 56.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.97 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.11 -49.25 66.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.645 176.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 18' ' ' LEU . 57.6 t -60.4 -46.11 95.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.434 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.19 99.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.395 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' B' ' 20' ' ' ASN . 36.5 mmt180 -63.39 -44.68 93.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.031 0.443 . . . . 0.0 110.445 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.429 HD11 HG11 ' A' ' 29' ' ' VAL . 38.7 tp -65.54 -45.44 83.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.421 -179.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -68.86 -24.69 64.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.087 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.746 ' HE2' ' HA ' ' B' ' 27' ' ' LYS . 0.1 OUTLIER -67.89 -51.33 49.3 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 174.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.57 -47.88 80.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.517 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.712 HG21 HD11 ' A' ' 25' ' ' LEU . 95.8 t -65.91 -38.13 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.862 178.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.58 -38.12 94.48 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.797 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -19.65 63.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.018 -0.992 . . . . 0.0 111.111 -176.987 . . . . . . . . 0 0 . 1 stop_ save_