data_1v7f_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 1v7f _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.94 0.4 . . . . 1.0 111.349 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.33 123.11 20.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.696 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -79.82 -175.37 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.218 0.533 . . . . 1.0 111.692 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.458 ' CD1' ' CB ' ' A' ' 27' ' ' LYS . 15.1 t90 -59.63 131.48 51.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.43 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.6 ttp 72.53 15.11 5.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.814 -0.63 . . . . 1.0 112.334 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -89.72 173.86 8.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.906 0.384 . . . . 1.0 110.869 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.36 163.61 27.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.398 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.34 112.7 0.85 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.52 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -70.21 -169.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.048 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 p -48.52 -27.69 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.213 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.7 51.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.681 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -69.09 -169.93 0.21 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.598 -0.274 . . . . 1.0 110.561 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.81 92.17 3.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 1.0 111.829 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -93.45 169.23 10.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.303 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.7 m -85.39 167.97 15.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 149.47 26.81 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.501 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.32 7.7 88.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.873 -0.68 . . . . 1.0 113.092 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.8 mt -125.94 157.72 37.02 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.962 0.41 . . . . 1.0 111.179 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.3 t -113.28 129.83 68.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.432 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 t -87.22 51.66 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.016 0.376 . . . . 1.0 112.016 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.94 80.58 1.76 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.142 -0.688 . . . . 1.0 109.142 178.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.446 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 79.37 -58.88 0.38 Allowed 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.346 -0.612 . . . . 1.0 109.346 -178.036 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.446 ' CZ3' ' CD1' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -132.62 144.53 50.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.981 178.595 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.6 m -59.89 88.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.917 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.64 118.65 20.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' CB ' ' CD1' ' A' ' 5' ' ' TRP . 17.3 tttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.983 0.421 . . . . 1.0 111.261 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -77.27 126.3 30.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.366 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HD2' ' CZ2' ' A' ' 7' ' ' TRP . 8.9 mttp -82.38 -176.78 6.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.208 0.528 . . . . 1.0 111.603 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.422 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 16.2 t90 -62.62 132.33 51.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.542 -0.754 . . . . 1.0 111.336 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.8 ttm 75.16 9.19 3.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.866 -0.606 . . . . 1.0 112.105 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.428 ' CZ2' ' HD2' ' A' ' 4' ' ' LYS . 14.7 m0 -87.65 171.21 10.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.97 0.414 . . . . 1.0 110.987 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.62 152.71 42.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.463 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.22 107.86 3.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.551 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -63.86 -168.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.962 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -47.64 -28.32 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.042 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.42 48.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.468 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -69.55 148.45 49.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.896 0.379 . . . . 1.0 110.59 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.39 104.52 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.554 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.8 t -100.36 172.07 7.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.236 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 m -88.8 166.06 14.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -60.32 136.16 57.95 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.143 -0.481 . . . . 1.0 111.424 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.47 12.79 56.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.831 -0.7 . . . . 1.0 113.127 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.1 mt -131.82 159.76 37.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.019 0.437 . . . . 1.0 111.211 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -117.96 137.12 52.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.326 179.704 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 t -88.76 46.58 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.186 0.439 . . . . 1.0 112.186 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.408 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -94.81 79.8 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.107 -0.701 . . . . 1.0 109.107 178.403 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.435 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 79.93 -58.26 0.35 Allowed 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.159 -0.682 . . . . 1.0 109.159 -177.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.435 ' CZ3' ' CD1' ' A' ' 23' ' ' LEU . 1.4 p90 -134.15 148.06 50.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.654 -0.703 . . . . 1.0 109.933 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 28.5 m -60.49 87.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.793 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.99 143.32 29.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.92 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 6.4 tttp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.186 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 120.948 0.404 . . . . 1.0 111.051 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.423 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 20.6 mm-40 -68.06 124.96 24.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.89 -0.596 . . . . 1.0 110.089 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HB2' ' CE2' ' A' ' 7' ' ' TRP . 49.1 mttt -79.88 -175.58 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.336 0.589 . . . . 1.0 111.892 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.469 ' CD1' ' CB ' ' A' ' 27' ' ' LYS . 16.0 t90 -61.05 131.05 49.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.364 -0.835 . . . . 1.0 111.602 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.5 ttp 65.55 16.97 10.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.758 -0.655 . . . . 1.0 112.279 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.428 ' CE2' ' HB2' ' A' ' 4' ' ' LYS . 11.3 m0 -86.01 175.22 8.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.042 0.448 . . . . 1.0 110.874 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.25 147.28 48.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.452 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.0 104.23 3.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.611 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -60.21 -165.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.5 -28.21 1.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.048 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.86 49.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.771 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.43 146.24 52.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 1.0 110.558 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.69 107.45 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.209 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 15.0 t -103.32 167.72 9.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.396 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.9 m -77.65 172.61 13.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -65.16 152.02 44.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.345 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.89 16.66 76.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.971 -0.633 . . . . 1.0 112.979 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.4 mt -128.19 157.11 41.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.917 0.389 . . . . 1.0 111.012 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 21.0 t -117.41 132.25 67.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.746 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.9 t -85.12 55.4 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 1.0 111.943 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.74 83.26 1.72 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.419 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 75.83 -62.86 0.42 Allowed 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 -177.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.419 ' CH2' HD13 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -128.09 144.92 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.569 -0.742 . . . . 1.0 109.632 178.213 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 28.3 m -61.11 93.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.93 0.395 . . . . 1.0 110.954 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -78.59 119.62 22.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 1.0 111.013 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CB ' ' CD1' ' A' ' 5' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.801 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.9 0.381 . . . . 1.0 111.028 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -78.98 132.91 36.84 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.419 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -93.0 -175.7 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.049 0.452 . . . . 1.0 111.352 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.447 ' CE3' ' CG ' ' A' ' 6' ' ' MET . 21.4 t90 -60.06 139.4 57.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.794 -0.639 . . . . 1.0 111.165 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.447 ' CG ' ' CE3' ' A' ' 5' ' ' TRP . 3.3 mtm 82.9 -5.07 1.29 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.85 -0.614 . . . . 1.0 111.849 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -81.43 169.36 17.27 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.008 0.432 . . . . 1.0 110.819 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.38 151.63 43.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.909 -0.587 . . . . 1.0 111.227 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.22 99.59 1.94 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.66 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.73 -167.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.766 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.9 p -47.72 -27.9 2.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.823 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.89 59.14 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.375 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -164.29 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.715 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.59 65.26 0.67 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 111.899 0.333 . . . . 1.0 111.899 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -84.1 176.64 8.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 1.0 110.223 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.5 m -83.13 169.13 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.816 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.66 -15.41 62.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.693 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.62 22.99 36.0 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.643 -0.789 . . . . 1.0 112.146 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.7 mt -142.3 166.37 24.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.997 0.427 . . . . 1.0 111.381 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.72 144.96 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.431 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.94 113.98 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.352 0.596 . . . . 1.0 111.863 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.47 76.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.099 -0.955 . . . . 1.0 109.065 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.417 HD11 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 79.07 -59.85 0.38 Allowed 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.152 -0.685 . . . . 1.0 109.152 -177.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.417 ' CE3' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -129.22 144.92 51.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.707 -0.679 . . . . 1.0 109.882 178.545 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.7 m -65.83 100.77 0.58 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.907 0.384 . . . . 1.0 111.008 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -90.03 139.81 30.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.787 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 13.1 ttmt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 120.842 0.354 . . . . 1.0 111.05 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -70.45 139.43 51.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.286 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.451 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 4.0 mtpm? -90.59 178.6 6.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.49 0.662 . . . . 1.0 111.91 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.453 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 16.2 t90 -62.99 137.13 58.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.158 -0.928 . . . . 1.0 111.26 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 ttm 81.3 -6.34 1.56 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.69 -0.686 . . . . 1.0 112.41 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.451 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 19.2 m0 -77.54 163.93 25.84 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.444 -0.502 . . . . 1.0 110.727 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.27 170.44 14.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.497 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 t -136.43 100.22 4.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.15 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -167.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.807 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -46.8 -29.11 1.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.978 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.88 46.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.229 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 119.78 14.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.674 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -65.24 116.06 6.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.499 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.95 -179.21 4.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.127 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.9 m -93.26 169.69 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.972 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.95 143.38 43.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.436 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.44 -8.85 79.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.846 -0.692 . . . . 1.0 113.022 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.2 mt -115.29 152.64 32.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.052 0.453 . . . . 1.0 111.386 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.46 136.58 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.325 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -87.33 53.04 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 1.0 111.909 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.3 84.37 2.32 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.2 -0.667 . . . . 1.0 109.2 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.82 -59.58 0.44 Allowed 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -135.19 143.68 46.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.629 -0.714 . . . . 1.0 109.908 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.8 m -57.68 89.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.973 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.56 134.36 34.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.204 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.521 -0.155 0 CA-C-O 120.99 0.424 . . . . 1.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.434 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -73.7 138.11 44.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.239 179.368 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.418 ' O ' ' CD1' ' A' ' 7' ' ' TRP . 4.3 mtmp? -99.41 -178.58 3.95 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.383 0.611 . . . . 1.0 111.702 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.464 ' O ' ' CB ' ' A' ' 6' ' ' MET . 18.4 t90 -59.85 139.92 56.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.127 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.464 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 88.03 -11.66 0.48 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.752 -0.658 . . . . 1.0 112.037 179.5 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.418 ' CD1' ' O ' ' A' ' 4' ' ' LYS . 10.7 m95 -78.48 159.32 28.3 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.209 0.528 . . . . 1.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.88 164.0 27.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.654 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 t -133.21 98.15 4.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.157 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -166.92 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.754 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.8 p -47.07 -28.51 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.978 -0.556 . . . . 1.0 111.002 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.13 57.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.255 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.57 123.68 21.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.697 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 89.07 0.36 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.585 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 1.6 t -89.22 175.66 7.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.134 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.6 m -80.47 169.81 17.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.771 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.58 -15.53 62.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.746 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.91 21.88 42.52 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.502 -0.856 . . . . 1.0 112.106 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.5 mt -143.34 163.43 33.04 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.063 0.458 . . . . 1.0 111.465 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.62 135.79 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.258 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -87.13 56.78 4.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 1.0 111.907 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -107.17 84.27 1.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.169 -0.678 . . . . 1.0 109.169 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' CD2' ' CH2' ' A' ' 24' ' ' TRP . 1.6 tp 76.73 -61.16 0.45 Allowed 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.046 -0.724 . . . . 1.0 109.046 -177.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.453 ' CH2' ' CD2' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -133.12 144.21 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.601 -0.727 . . . . 1.0 109.78 178.289 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.0 m -57.78 94.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -94.31 143.1 26.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 9.6 tttm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.298 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 120.929 0.395 . . . . 1.0 111.043 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -86.27 141.77 29.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.643 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -95.51 -175.72 3.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.381 0.61 . . . . 1.0 112.0 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.428 ' O ' ' CB ' ' A' ' 6' ' ' MET . 17.9 t90 -55.56 143.18 30.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.329 -0.85 . . . . 1.0 111.354 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.428 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 84.19 -11.98 0.81 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.81 -0.632 . . . . 1.0 112.199 179.392 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -77.26 168.06 20.68 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.829 0.347 . . . . 1.0 110.683 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.32 171.32 11.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -161.11 104.95 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.997 0.427 . . . . 1.0 111.116 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -70.07 -165.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.589 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 m -46.28 -28.65 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.056 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.26 59.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.542 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -69.71 162.92 26.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.803 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 95.79 10.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.779 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.36 177.13 5.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.22 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.1 m -98.65 171.95 7.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.911 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -58.29 147.36 31.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.261 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.94 -4.63 82.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.852 -0.689 . . . . 1.0 113.004 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.7 mt -116.31 152.03 34.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.991 0.424 . . . . 1.0 111.167 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 t -120.82 151.03 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.774 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 t -97.58 116.82 30.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.388 0.613 . . . . 1.0 111.846 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -170.28 77.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.034 -0.985 . . . . 1.0 108.689 179.548 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.418 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.2 mt 80.93 -57.31 0.3 Allowed 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.729 -0.841 . . . . 1.0 108.729 -177.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -136.74 148.71 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.877 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.8 m -62.75 92.57 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.883 0.373 . . . . 1.0 110.447 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -71.83 164.42 26.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.949 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 tttp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.133 -179.75 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.889 0.376 . . . . 1.0 111.054 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -71.63 150.17 44.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.427 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.447 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 9.7 mtpp -98.57 -178.92 4.15 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.29 0.567 . . . . 1.0 111.664 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.43 ' CE3' ' HG3' ' A' ' 6' ' ' MET . 27.5 t90 -63.72 135.13 56.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.408 -0.814 . . . . 1.0 111.416 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.43 ' HG3' ' CE3' ' A' ' 5' ' ' TRP . 2.3 mtm 76.48 2.16 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 1.0 112.266 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.447 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 19.6 m0 -81.47 166.82 20.0 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.185 0.517 . . . . 1.0 111.242 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.03 164.3 26.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.404 -0.816 . . . . 1.0 111.906 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.4 t -154.77 122.43 5.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.125 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.47 -167.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.811 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -47.16 -28.01 1.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.843 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.03 60.3 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.423 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -163.45 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.689 0.28 . . . . 1.0 110.531 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.93 101.43 4.58 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.86 0.362 . . . . 1.0 111.28 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.73 179.87 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.494 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.5 m -90.62 169.74 10.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.589 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -55.93 145.56 24.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.964 0.411 . . . . 1.0 111.228 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.36 -21.23 36.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.87 -0.681 . . . . 1.0 112.972 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.3 mt -107.72 153.09 23.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.075 0.464 . . . . 1.0 111.364 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -110.98 133.73 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.168 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -93.42 56.41 2.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 1.0 112.05 -178.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -103.75 74.39 1.23 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 178.575 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.7 tp 86.5 -37.72 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.519 -178.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.429 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -138.11 -170.92 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.423 -0.808 . . . . 1.0 109.781 178.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.1 m -110.54 76.79 1.0 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 18.5 mmtt -93.04 128.22 38.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.869 -0.605 . . . . 1.0 111.546 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 7.1 tttm . . . . . 0 N--CA 1.452 -0.36 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.758 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.983 0.42 . . . . 1.0 111.083 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 8' ' ' THR . 4.5 pt20 -85.44 141.16 30.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.249 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.404 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 15.9 mtmt -87.16 -178.9 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.393 0.616 . . . . 1.0 111.922 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.454 ' CD1' ' CB ' ' A' ' 27' ' ' LYS . 57.0 t90 -58.59 141.25 52.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.298 -0.865 . . . . 1.0 111.592 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.0 mtp 75.69 -1.93 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.0 0.741 . . . . 1.0 113.0 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.404 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 31.3 m95 -78.29 165.25 24.09 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 120.209 -0.596 . . . . 1.0 110.924 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.449 ' O ' ' NE2' ' A' ' 3' ' ' GLN . 2.8 p -72.26 143.99 48.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.373 -0.83 . . . . 1.0 111.713 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 t -119.8 100.0 6.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.565 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -64.72 -166.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.9 p -47.06 -28.64 1.78 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.252 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.07 48.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.647 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -71.19 120.91 17.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.703 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -64.52 122.72 17.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.978 0.418 . . . . 1.0 111.424 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -102.85 167.44 9.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.426 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.6 m -82.95 171.5 13.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.01 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.43 157.15 9.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.484 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.17 15.65 65.67 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.861 -0.608 . . . . 1.0 112.961 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.0 mt -132.52 159.1 40.41 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.953 0.406 . . . . 1.0 111.224 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.9 t -127.39 137.56 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.856 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.64 110.76 20.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.247 0.546 . . . . 1.0 111.632 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.25 81.26 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.262 -0.881 . . . . 1.0 109.079 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 77.25 -59.39 0.47 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.837 -0.801 . . . . 1.0 108.837 -177.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -134.47 145.04 48.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.496 -0.775 . . . . 1.0 109.643 178.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.416 ' SG ' ' NE2' ' A' ' 3' ' ' GLN . 8.2 m -65.14 93.16 0.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.946 0.403 . . . . 1.0 110.947 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.96 118.12 12.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.815 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.454 ' CB ' ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.463 0.211 0 CA-C-O 121.055 0.455 . . . . 1.0 111.333 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.46 144.41 53.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.714 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp -93.56 -176.73 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.219 0.533 . . . . 1.0 111.581 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.422 ' CD2' ' HG3' ' A' ' 6' ' ' MET . 36.1 t90 -62.23 137.37 58.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.656 -0.702 . . . . 1.0 111.316 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.422 ' HG3' ' CD2' ' A' ' 5' ' ' TRP . 80.5 mtp 67.36 9.23 6.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.693 -0.685 . . . . 1.0 112.41 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -82.39 173.42 12.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.002 0.429 . . . . 1.0 110.989 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.43 159.52 34.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.639 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.97 116.72 2.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.452 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.42 -169.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 t -47.69 -27.98 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.778 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.26 58.43 0.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.284 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -164.74 0.05 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.58 -0.282 . . . . 1.0 110.502 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.16 92.22 3.34 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.849 0.356 . . . . 1.0 111.43 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -91.95 176.98 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.394 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.8 m -88.92 168.85 12.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.513 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.58 145.65 38.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.942 0.401 . . . . 1.0 111.195 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.37 -15.3 58.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.869 -0.682 . . . . 1.0 113.16 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.2 mt -107.08 150.9 26.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.151 0.5 . . . . 1.0 111.44 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 t -105.34 128.61 59.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.401 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.3 t -91.74 54.4 2.45 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.217 0.451 . . . . 1.0 112.217 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.43 78.09 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 178.542 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER 84.66 -44.51 0.08 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 -177.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.435 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -132.31 -171.89 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.253 178.619 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.3 m -107.92 73.17 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.053 0.454 . . . . 1.0 109.811 178.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.435 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 11.0 mmtm -94.48 125.99 39.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.85 -0.613 . . . . 1.0 111.348 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.145 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 CA--C 1.521 -0.151 0 CA-C-O 120.926 0.393 . . . . 1.0 111.067 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -76.48 147.16 38.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.187 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 7' ' ' TRP . 13.4 mttt -104.04 -179.55 3.98 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.573 0.701 . . . . 1.0 112.195 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.44 ' O ' ' CB ' ' A' ' 6' ' ' MET . 16.0 t90 -59.18 142.45 51.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.111 -0.95 . . . . 1.0 111.215 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.44 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 85.8 -13.42 0.6 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.718 -0.674 . . . . 1.0 112.22 179.399 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.422 ' CD1' ' O ' ' A' ' 4' ' ' LYS . 14.9 m95 -70.01 168.43 15.45 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 120.469 -0.492 . . . . 1.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.08 164.13 26.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.997 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.3 t -131.16 92.46 3.2 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.123 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -71.11 -173.91 0.9 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.788 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 p -51.38 -26.64 8.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.642 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.2 56.05 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.028 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -68.95 147.85 51.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.66 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.27 103.61 15.63 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.448 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -104.86 178.16 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.167 179.276 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.5 m -78.2 171.5 14.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.526 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.5 -13.72 62.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.857 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.26 23.03 37.86 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.516 -0.85 . . . . 1.0 112.048 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.9 mt -146.02 164.17 32.92 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.003 0.43 . . . . 1.0 111.569 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.92 166.6 27.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.515 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.49 116.85 33.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.32 0.581 . . . . 1.0 111.824 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.55 81.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.216 -0.902 . . . . 1.0 108.875 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.446 ' CD1' ' CH2' ' A' ' 24' ' ' TRP . 0.6 OUTLIER 76.75 -60.84 0.46 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.607 -0.886 . . . . 1.0 108.607 -177.489 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.446 ' CH2' ' CD1' ' A' ' 23' ' ' LEU . 1.2 p90 -137.14 147.79 46.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.533 -0.758 . . . . 1.0 109.687 177.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 m -51.36 96.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.887 0.375 . . . . 1.0 110.616 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 138.64 32.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.206 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 1.1 ttpm? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.536 . . . . 1.0 111.18 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.994 0.426 . . . . 1.0 111.138 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -71.21 146.1 49.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.414 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.451 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 2.2 mtpm? -94.76 -179.45 4.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.451 0.644 . . . . 1.0 111.858 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.426 ' CD2' ' CG ' ' A' ' 6' ' ' MET . 27.7 t90 -64.58 133.89 53.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.329 -0.85 . . . . 1.0 111.503 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.426 ' CG ' ' CD2' ' A' ' 5' ' ' TRP . 0.8 OUTLIER 76.2 1.73 3.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.766 -0.652 . . . . 1.0 112.295 179.171 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.451 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 17.3 m0 -81.9 166.36 19.98 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.209 0.528 . . . . 1.0 111.054 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.91 162.05 30.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.466 -0.788 . . . . 1.0 111.484 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.61 100.24 4.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.481 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -57.61 -167.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.994 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.39 -29.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.959 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.07 45.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.342 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -70.39 103.72 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.506 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 121.02 9.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.652 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.44 178.86 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.163 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -87.78 169.99 11.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.76 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.21 131.2 48.63 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.449 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.98 -7.89 53.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 1.0 113.233 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.9 mt -114.55 151.33 33.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.12 0.486 . . . . 1.0 111.496 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.5 t -105.63 127.96 60.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.613 -0.722 . . . . 1.0 110.294 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.2 t -90.82 45.57 1.26 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.2 0.444 . . . . 1.0 112.2 -178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -90.88 73.81 6.52 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 178.544 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER 87.23 -44.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.796 -0.638 . . . . 1.0 109.336 -177.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.432 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -129.54 -169.81 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.369 -0.832 . . . . 1.0 109.243 178.65 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.2 m -111.27 73.81 0.84 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.996 0.427 . . . . 1.0 109.993 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 10.6 mmtp -94.1 128.05 40.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.151 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.017 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.011 0.434 . . . . 1.0 111.083 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.401 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 13.6 pt20 -86.31 147.54 26.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.445 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -84.99 178.74 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 1.0 112.191 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.442 ' O ' ' HB2' ' A' ' 6' ' ' MET . 66.7 t90 -58.19 145.45 37.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.964 -1.016 . . . . 1.0 111.375 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' TRP . 2.2 mmm 71.35 0.75 3.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.477 -0.783 . . . . 1.0 112.883 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -76.82 166.56 23.19 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 120.159 -0.616 . . . . 1.0 110.815 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p -71.88 145.73 48.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.59 -0.732 . . . . 1.0 111.51 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.75 106.81 9.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.803 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.62 -166.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.746 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -46.71 -28.52 1.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.014 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.67 55.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.464 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -69.67 164.96 22.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.533 -0.303 . . . . 1.0 110.642 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.53 110.34 22.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.003 0.43 . . . . 1.0 111.843 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HA ' ' HG3' ' A' ' 3' ' ' GLN . 13.6 t -102.08 167.14 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.119 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.56 171.99 14.33 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.043 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.53 159.85 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.375 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.49 11.46 62.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.981 -0.628 . . . . 1.0 112.973 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.0 mt -129.19 157.14 42.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.913 0.387 . . . . 1.0 111.11 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 20.9 t -120.04 149.4 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.3 t -92.41 42.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.008 0.373 . . . . 1.0 112.008 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.38 79.83 4.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' CD2' ' CZ3' ' A' ' 24' ' ' TRP . 4.3 tp 77.83 -59.14 0.45 Allowed 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.447 ' CZ3' ' CD2' ' A' ' 23' ' ' LEU . 2.4 p90 -132.58 154.4 50.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.658 -0.701 . . . . 1.0 109.807 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 47.7 m -59.63 88.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.935 0.398 . . . . 1.0 110.865 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.07 122.16 26.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.995 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 10.7 tttp . . . . . 0 N--CA 1.452 -0.353 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.645 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.967 0.413 . . . . 1.0 111.327 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -74.91 139.05 42.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.457 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.415 ' HE3' ' CZ2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -99.29 -179.24 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.271 0.558 . . . . 1.0 111.518 -179.619 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.451 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 28.5 t90 -62.61 137.7 58.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.522 -0.763 . . . . 1.0 111.235 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.442 ' CG ' ' CE3' ' A' ' 5' ' ' TRP . 3.3 mtp 86.04 -11.85 0.65 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.792 -0.64 . . . . 1.0 112.005 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.415 ' CZ2' ' HE3' ' A' ' 4' ' ' LYS . 31.0 m95 -80.95 162.19 23.98 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.141 0.496 . . . . 1.0 111.061 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.02 170.26 14.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.511 -0.768 . . . . 1.0 111.498 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.78 111.19 3.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.39 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -60.46 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.1 -28.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.889 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.75 49.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.332 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -69.34 150.64 47.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.866 0.365 . . . . 1.0 110.563 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -79.75 117.84 21.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.216 0.531 . . . . 1.0 112.085 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -110.79 -179.23 3.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.557 -0.747 . . . . 1.0 110.06 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.8 m -95.65 168.06 10.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.803 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -59.14 132.37 53.82 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.348 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.98 -9.16 58.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 1.0 113.082 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.7 mt -113.35 152.77 29.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.978 0.418 . . . . 1.0 111.28 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.6 140.95 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.426 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.8 t -89.7 46.37 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.048 0.388 . . . . 1.0 112.048 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.83 83.7 3.75 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.373 -0.602 . . . . 1.0 109.373 178.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.37 -60.51 0.44 Allowed 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.407 -0.59 . . . . 1.0 109.407 -178.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -132.92 145.58 51.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.711 -0.677 . . . . 1.0 109.929 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 m -59.65 95.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.917 0.389 . . . . 1.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -102.86 145.27 30.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.003 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 4.4 tttp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.344 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.98 0.419 . . . . 1.0 110.969 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -70.87 142.6 51.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.297 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.415 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 5.4 mtpt -99.24 179.22 4.66 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.433 0.635 . . . . 1.0 111.939 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.473 ' O ' ' CB ' ' A' ' 6' ' ' MET . 15.1 t90 -62.37 135.81 57.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.196 -0.911 . . . . 1.0 111.207 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.473 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 1.1 tmm? 87.57 -13.26 0.47 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.745 -0.661 . . . . 1.0 112.246 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.415 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 24.1 m95 -78.99 161.62 26.51 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.501 -0.48 . . . . 1.0 110.864 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.15 -178.43 2.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.656 -0.702 . . . . 1.0 111.39 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -152.89 103.59 2.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.432 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.25 -167.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.011 -0.54 . . . . 1.0 111.042 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.5 p -46.41 -29.04 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.08 45.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.413 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -69.89 120.59 15.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.447 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -63.53 124.11 20.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.133 0.492 . . . . 1.0 111.834 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -107.44 -178.09 3.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.801 -0.636 . . . . 1.0 109.973 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.0 m -95.04 168.62 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -57.98 137.92 56.37 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.484 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.59 -6.57 67.88 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.807 -0.711 . . . . 1.0 113.159 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.8 mt -116.18 152.27 34.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.05 0.453 . . . . 1.0 111.407 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 t -112.52 139.4 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.436 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.7 t -89.79 44.52 1.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.122 0.416 . . . . 1.0 112.122 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.14 81.13 5.03 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 78.84 -59.07 0.41 Allowed 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 -178.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -133.68 144.81 49.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.997 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.4 m -57.99 89.47 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.95 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -85.99 145.22 27.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.94 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 12.2 tttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.936 0.398 . . . . 1.0 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -72.93 143.08 47.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.714 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -102.87 -178.82 3.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.158 0.504 . . . . 1.0 111.558 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.519 ' O ' ' CB ' ' A' ' 6' ' ' MET . 7.9 t90 -69.17 89.42 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.994 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.519 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 149.0 -24.73 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 O-C-N 123.547 0.529 . . . . 1.0 111.419 179.4 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.409 ' CD1' ' HE3' ' A' ' 6' ' ' MET . 32.8 m95 -69.47 170.52 10.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.054 0.454 . . . . 1.0 111.408 -179.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.09 -176.19 1.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.594 -0.73 . . . . 1.0 111.299 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -150.61 97.15 2.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.338 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -70.26 -169.19 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.759 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.1 t -47.9 -28.68 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.035 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.43 55.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -69.79 144.38 52.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.816 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.41 108.99 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.465 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.59 179.72 4.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.45 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.0 m -95.71 167.75 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.487 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -57.89 145.55 35.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.926 0.393 . . . . 1.0 111.127 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.03 -11.0 66.21 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.856 -0.688 . . . . 1.0 113.167 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.2 mt -105.68 150.72 25.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.128 0.489 . . . . 1.0 111.31 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.14 150.05 21.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.803 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.48 113.81 25.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.316 0.579 . . . . 1.0 111.62 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.33 86.67 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.22 -0.9 . . . . 1.0 108.919 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.78 -59.33 0.45 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.804 -0.813 . . . . 1.0 108.804 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -143.28 144.04 31.96 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.513 -0.767 . . . . 1.0 109.772 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 7' ' ' TRP . 4.5 m -55.5 98.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.91 0.386 . . . . 1.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -81.65 165.49 21.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.713 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 9.6 tttm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 1.0 111.457 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.918 0.39 . . . . 1.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.58 144.05 46.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.727 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -103.98 177.79 4.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.351 0.596 . . . . 1.0 111.842 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.508 ' O ' ' CB ' ' A' ' 6' ' ' MET . 7.5 t90 -66.89 89.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.2 -0.909 . . . . 1.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.508 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 152.55 -31.89 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.435 0.46 . . . . 1.0 111.166 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.405 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 28.8 m95 -75.44 160.22 30.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.052 0.454 . . . . 1.0 111.331 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.19 -175.86 1.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.66 111.06 3.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.679 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.37 -168.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.728 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.9 t -47.04 -28.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.979 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.23 52.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.271 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -69.54 150.05 47.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.718 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -80.77 117.06 21.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.278 0.561 . . . . 1.0 112.037 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -111.99 177.5 4.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.419 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.2 m -94.22 166.91 11.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.336 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -57.42 145.43 32.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.014 0.435 . . . . 1.0 111.177 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.62 -7.86 77.64 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.862 -0.685 . . . . 1.0 113.289 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 5' ' ' TRP . 44.1 mt -107.87 150.68 26.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.16 0.505 . . . . 1.0 111.402 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 20.7 t -113.0 141.8 27.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.932 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -90.6 39.72 0.99 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.867 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.38 84.95 6.46 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 78.09 -58.05 0.46 Allowed 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.423 -0.584 . . . . 1.0 109.423 -178.263 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.447 ' CZ3' ' CD1' ' A' ' 23' ' ' LEU . 2.6 p90 -138.85 151.78 47.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.827 -0.624 . . . . 1.0 109.998 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 17.8 m -60.17 89.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 1.0 110.723 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -84.14 170.47 13.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.657 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 15.9 tttt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.136 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.852 0.358 . . . . 1.0 111.042 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -71.96 145.24 48.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.563 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 4.2 mtpm? -105.18 -179.49 3.96 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.369 0.604 . . . . 1.0 111.508 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.448 ' O ' ' CB ' ' A' ' 6' ' ' MET . 21.3 t90 -62.22 137.69 58.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.479 -0.782 . . . . 1.0 111.16 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.448 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 1.2 mtp 87.38 -12.92 0.49 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.748 -0.66 . . . . 1.0 112.096 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.401 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 22.1 m95 -81.75 159.43 23.86 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.256 0.55 . . . . 1.0 111.233 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.19 -178.47 2.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.328 -0.851 . . . . 1.0 111.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.28 110.92 3.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.667 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.83 -168.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.766 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.6 p -47.13 -28.52 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.001 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.24 49.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.264 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.61 133.35 47.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.853 0.358 . . . . 1.0 110.714 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -73.96 121.84 21.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.113 0.482 . . . . 1.0 111.753 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -106.37 179.45 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.183 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.9 m -92.77 169.31 10.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.717 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -60.16 133.0 55.67 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.364 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.98 -13.93 57.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 1.0 113.0 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.2 mt -110.48 151.27 27.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.047 0.451 . . . . 1.0 111.367 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -111.72 136.14 48.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.649 . . . . 1.0 110.064 179.308 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.0 t -90.39 46.29 1.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.505 . . . . 1.0 112.084 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -89.67 70.39 7.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 178.715 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 3.1 tp 86.7 -39.41 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.637 -0.71 . . . . 1.0 109.457 -178.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.437 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.23 -168.89 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.397 -0.82 . . . . 1.0 109.494 178.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.05 81.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.105 -0.702 . . . . 1.0 109.105 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 2.9 mmtp -96.16 142.46 28.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.885 -0.598 . . . . 1.0 111.671 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 3.1 tttp . . . . . 0 N--CA 1.453 -0.312 0 CA-C-N 116.079 -0.51 . . . . 1.0 111.098 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 120.92 0.391 . . . . 1.0 111.075 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -75.71 149.14 38.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.337 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.449 ' CE ' ' CZ2' ' A' ' 7' ' ' TRP . 26.8 mtmt -99.41 179.27 4.62 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.365 0.602 . . . . 1.0 111.772 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.434 ' O ' ' CB ' ' A' ' 6' ' ' MET . 24.0 t90 -63.74 134.9 56.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.334 -0.848 . . . . 1.0 111.431 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.434 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 3.1 mtp 85.15 -8.28 0.87 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.691 -0.686 . . . . 1.0 112.37 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.449 ' CZ2' ' CE ' ' A' ' 4' ' ' LYS . 22.9 m95 -82.44 160.81 22.64 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 121.36 0.6 . . . . 1.0 111.239 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 p -72.36 179.32 3.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.204 -0.907 . . . . 1.0 111.492 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.8 99.05 3.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.269 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -56.88 -167.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.152 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -46.32 -28.95 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.66 44.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.507 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -76.57 89.21 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.376 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -53.91 128.63 30.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.647 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -94.21 -178.45 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.112 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -90.2 169.75 10.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.727 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.98 133.65 56.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.399 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.38 -14.06 56.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 1.0 113.033 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.0 mt -114.0 152.8 30.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.163 0.506 . . . . 1.0 111.588 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.2 t -105.34 129.05 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.362 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 t -91.33 44.93 1.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.982 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -90.44 75.16 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 178.783 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 2.9 tp 86.21 -44.74 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.423 -178.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.435 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -130.62 -170.03 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.368 -0.833 . . . . 1.0 109.3 178.674 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.8 m -110.2 75.33 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.435 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 11.4 mmtp -95.92 122.51 38.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.282 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 tttt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 1.0 111.147 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 120.931 0.396 . . . . 1.0 111.028 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -67.92 147.57 52.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.199 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.448 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 3.0 mtpm? -95.77 -179.41 4.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.386 0.612 . . . . 1.0 111.918 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.433 ' CE3' ' HG3' ' A' ' 6' ' ' MET . 28.4 t90 -64.28 133.26 52.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.265 -0.879 . . . . 1.0 111.482 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.433 ' HG3' ' CE3' ' A' ' 5' ' ' TRP . 3.3 mtm 76.81 1.69 3.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.809 -0.632 . . . . 1.0 112.332 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.448 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 17.0 m0 -81.73 166.42 20.09 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.186 0.517 . . . . 1.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.97 159.68 33.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.509 -0.768 . . . . 1.0 111.862 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.5 t -133.1 96.14 3.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.064 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.91 -168.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.101 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 p -46.82 -29.27 1.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.47 44.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.398 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -74.97 93.46 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.421 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 127.11 21.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.198 0.523 . . . . 1.0 111.567 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -101.97 178.84 4.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.196 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.9 m -88.23 169.25 12.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.404 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.38 150.87 21.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.005 0.431 . . . . 1.0 111.279 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.12 -7.14 68.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.949 -0.643 . . . . 1.0 113.401 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.4 mt -113.15 150.61 31.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.15 0.5 . . . . 1.0 111.554 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 24' ' ' TRP . 25.6 t -108.53 128.54 64.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.258 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.34 46.38 1.34 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.289 0.477 . . . . 1.0 112.289 -178.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -92.65 73.56 5.04 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 178.533 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.47 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.2 tt 87.4 -41.01 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.859 -0.609 . . . . 1.0 109.486 -178.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.438 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.86 -169.53 2.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.299 -0.864 . . . . 1.0 109.204 178.765 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.4 m -109.5 69.31 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.034 0.445 . . . . 1.0 109.857 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 12.3 mmtt -87.15 124.36 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.822 -0.626 . . . . 1.0 111.245 -179.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tttm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.11 -179.95 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.911 0.386 . . . . 1.0 111.055 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.426 ' NE2' ' HB3' ' A' ' 13' ' ' ARG . 14.9 mt-30 -75.62 149.21 38.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.615 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -103.31 179.59 4.23 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.427 0.632 . . . . 1.0 111.693 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.491 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 30.8 t90 -62.09 137.73 58.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.339 -0.846 . . . . 1.0 111.214 -179.866 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.455 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 1.1 mtm 86.8 -12.06 0.57 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.794 -0.639 . . . . 1.0 112.282 179.374 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -76.81 158.87 30.55 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.34 -0.544 . . . . 1.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.86 167.19 21.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.483 -0.781 . . . . 1.0 111.585 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.4 t -127.21 97.81 5.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.095 0.474 . . . . 1.0 110.146 178.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.85 -168.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.102 -179.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 t -47.83 -29.05 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.093 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.03 45.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.447 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HB3' ' NE2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -77.8 99.2 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.491 179.615 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 131.09 49.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.247 0.546 . . . . 1.0 111.793 -179.316 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.41 -176.2 3.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.001 179.137 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.0 m -93.07 171.35 9.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.879 0.371 . . . . 1.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.16 136.49 57.26 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.36 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.88 -15.46 61.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 1.0 113.02 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.0 mt -110.56 156.93 20.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.088 0.47 . . . . 1.0 111.408 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.46 140.9 41.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.438 179.615 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.7 49.17 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 1.0 111.803 -179.407 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -98.1 80.66 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 178.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' CD1' ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 78.58 -58.18 0.44 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.371 -0.604 . . . . 1.0 109.371 -178.084 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.453 ' CH2' ' CD1' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -132.8 144.19 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.769 -0.651 . . . . 1.0 110.126 178.652 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.2 m -59.18 89.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.734 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -91.36 124.8 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.064 -179.759 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 4.7 ttmm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.462 0.14 0 CA-C-O 120.978 0.418 . . . . 1.0 111.413 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -72.19 139.94 48.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.58 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -99.56 178.17 4.94 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.293 0.568 . . . . 1.0 111.817 -179.413 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.543 ' O ' ' CB ' ' A' ' 6' ' ' MET . 11.7 t90 -70.14 95.57 0.99 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.341 -0.845 . . . . 1.0 110.933 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.543 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 14.5 mtp 143.63 -26.73 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.888 0.742 . . . . 1.0 110.93 179.614 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -75.29 161.38 29.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.04 0.448 . . . . 1.0 111.16 -179.481 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.27 -178.1 1.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.168 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -156.86 110.28 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.71 179.519 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.13 -166.88 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.785 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.3 p -46.99 -28.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.98 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.32 55.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.372 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -69.45 147.31 51.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.826 0.346 . . . . 1.0 110.522 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.4 105.98 11.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.706 -179.302 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -102.17 177.38 4.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.219 179.002 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.3 m -87.9 171.45 10.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.446 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -67.33 126.39 29.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.907 0.384 . . . . 1.0 111.238 -179.449 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.41 -0.07 40.34 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.767 -0.73 . . . . 1.0 113.118 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 5' ' ' TRP . 3.2 mp -114.82 150.15 35.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.043 0.449 . . . . 1.0 111.286 -179.731 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.38 145.37 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.771 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 t -93.36 43.35 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.639 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.49 83.55 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.515 -0.55 . . . . 1.0 109.515 178.84 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.455 ' CD2' ' CH2' ' A' ' 24' ' ' TRP . 2.5 tp 77.96 -58.6 0.46 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.483 -0.562 . . . . 1.0 109.483 -178.451 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.455 ' CH2' ' CD2' ' A' ' 23' ' ' LEU . 1.3 p90 -137.41 150.1 47.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.027 178.726 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.9 m -57.75 93.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.904 0.383 . . . . 1.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.27 166.95 13.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.705 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.415 -179.661 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.521 -0.156 0 CA-C-O 120.989 0.423 . . . . 1.0 111.057 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 14.1 mt-30 -74.96 138.92 42.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.105 179.276 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.416 ' HE2' ' CZ2' ' A' ' 7' ' ' TRP . 13.1 mtmm -97.06 -178.09 4.08 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.185 0.516 . . . . 1.0 111.548 -179.352 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.451 ' CE3' ' CG ' ' A' ' 6' ' ' MET . 20.2 t90 -59.09 138.26 57.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.533 -0.758 . . . . 1.0 111.608 -179.307 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.451 ' CG ' ' CE3' ' A' ' 5' ' ' TRP . 0.9 OUTLIER 85.33 -9.2 0.82 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.66 -0.7 . . . . 1.0 112.272 179.203 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.416 ' CZ2' ' HE2' ' A' ' 4' ' ' LYS . 17.5 m95 -77.31 162.39 27.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.28 0.562 . . . . 1.0 111.094 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.39 177.01 4.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.308 -0.86 . . . . 1.0 111.641 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 t -165.25 111.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.184 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.2 -167.81 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.609 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.7 p -46.54 -28.57 1.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.763 179.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.9 60.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.121 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -165.66 0.08 Allowed 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.605 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.54 96.3 4.92 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 -179.386 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 1.8 t -103.06 174.46 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.039 178.795 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.2 m -78.04 168.99 19.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.55 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -13.4 62.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.841 -179.298 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.86 21.49 45.82 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.511 -0.852 . . . . 1.0 112.136 179.607 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.8 mt -142.69 161.35 38.31 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.127 0.489 . . . . 1.0 111.708 -179.333 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.19 122.65 62.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.26 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.03 69.06 5.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.977 0.418 . . . . 1.0 112.086 -179.014 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.479 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -118.19 74.81 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.861 -0.792 . . . . 1.0 108.861 178.403 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER 87.72 -39.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 -177.595 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.434 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -138.54 -171.93 3.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.286 -0.87 . . . . 1.0 109.553 178.85 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.8 m -108.31 75.85 1.0 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 178.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.434 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 24.8 mmtt -95.78 126.59 41.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.74 -0.664 . . . . 1.0 111.04 -179.219 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 tttt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 1.0 111.112 -179.876 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.948 0.404 . . . . 1.0 111.103 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.435 ' CG ' ' HD3' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -78.27 146.42 34.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.294 179.465 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 7' ' ' TRP . 17.1 mttm -103.1 -176.7 3.16 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.654 0.74 . . . . 1.0 112.264 -178.735 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.446 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 17.2 t90 -57.01 145.61 29.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.054 -0.975 . . . . 1.0 111.129 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.445 ' HG3' ' CD2' ' A' ' 5' ' ' TRP . 0.1 OUTLIER 85.12 -14.91 0.56 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.796 -0.638 . . . . 1.0 112.368 179.406 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 4' ' ' LYS . 19.8 m95 -69.79 167.76 16.52 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.306 -0.558 . . . . 1.0 110.996 -179.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.3 163.61 27.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.784 -0.644 . . . . 1.0 112.221 -179.245 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.418 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 1.7 t -130.62 87.94 2.56 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.712 -0.676 . . . . 1.0 109.876 178.833 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -71.27 -174.1 0.97 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.761 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 t -51.39 -26.51 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.535 179.399 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.48 57.0 0.07 Allowed 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.925 -0.58 . . . . 1.0 111.072 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.435 ' HD3' ' CG ' ' A' ' 3' ' ' GLN . 1.4 tmm_? -68.84 153.31 44.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.554 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -97.87 89.76 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.11 0.411 . . . . 1.0 112.11 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -96.66 -179.39 4.58 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 178.645 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.5 m -82.16 170.79 15.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.901 0.381 . . . . 1.0 111.048 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -15.7 62.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.806 -179.401 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.87 23.26 33.75 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.572 -0.823 . . . . 1.0 112.244 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 25' ' ' CYS . 24.5 mt -144.42 165.64 27.37 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.865 0.364 . . . . 1.0 111.221 -179.404 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.67 161.31 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.803 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -99.74 115.08 28.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.424 0.63 . . . . 1.0 111.832 -179.639 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.45 79.65 0.09 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.127 -0.942 . . . . 1.0 109.001 179.519 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 78.42 -59.92 0.41 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.994 -0.743 . . . . 1.0 108.994 -177.879 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -139.69 145.26 38.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.965 178.569 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.434 ' HB3' HD12 ' A' ' 19' ' ' LEU . 52.7 m -49.8 102.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 1.0 110.804 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -90.95 130.59 36.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.977 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 9.0 tttt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.292 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.973 0.416 . . . . 1.0 111.348 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.03 136.75 45.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.758 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -87.29 -174.02 4.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.116 0.484 . . . . 1.0 111.493 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.456 ' CD1' ' CB ' ' A' ' 27' ' ' LYS . 13.2 t90 -60.83 132.05 52.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 1.0 111.299 -179.793 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.3 ttp 70.07 15.18 7.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.769 -0.651 . . . . 1.0 112.372 178.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -84.9 178.34 7.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.943 0.402 . . . . 1.0 110.783 179.541 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -70.94 146.77 49.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.294 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -152.27 106.46 3.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.658 179.429 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -70.05 -167.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.2 p -47.17 -28.34 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.05 56.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.499 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -69.43 -168.92 0.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.574 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.66 90.17 3.27 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.804 0.335 . . . . 1.0 111.754 -179.441 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.09 -179.01 5.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.245 179.06 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.3 m -96.04 169.45 9.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.73 145.79 33.36 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.451 -179.659 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.88 -9.3 72.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.716 . . . . 1.0 113.031 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.6 mt -110.89 153.86 24.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.008 0.432 . . . . 1.0 111.189 -179.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.7 t -115.17 142.29 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.614 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.33 114.83 26.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.326 0.584 . . . . 1.0 111.782 -179.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.37 75.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.226 -0.897 . . . . 1.0 109.081 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.423 HD11 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 79.43 -56.92 0.41 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 -177.905 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.423 ' CE3' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -130.86 144.89 51.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.821 178.522 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.4 m -71.57 107.49 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.893 0.378 . . . . 1.0 110.971 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.38 123.37 36.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.996 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.456 ' CB ' ' CD1' ' A' ' 5' ' ' TRP . 7.0 ttmt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.6 t80 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.819 0.343 . . . . 1.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p -51.05 176.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.349 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.33 123.11 20.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.696 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -79.82 -175.37 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.218 0.533 . . . . 1.0 111.692 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.458 ' CD1' ' CB ' ' A' ' 27' ' ' LYS . 15.1 t90 -59.63 131.48 51.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.43 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.6 ttp 72.53 15.11 5.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.814 -0.63 . . . . 1.0 112.334 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -89.72 173.86 8.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.906 0.384 . . . . 1.0 110.869 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.36 163.61 27.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.398 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.34 112.7 0.85 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.52 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -70.21 -169.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.048 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 p -48.52 -27.69 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.213 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.7 51.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.681 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -69.09 -169.93 0.21 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.598 -0.274 . . . . 1.0 110.561 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.81 92.17 3.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 1.0 111.829 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -93.45 169.23 10.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.303 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.7 m -85.39 167.97 15.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 149.47 26.81 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.501 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.32 7.7 88.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.873 -0.68 . . . . 1.0 113.092 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.8 mt -125.94 157.72 37.02 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.962 0.41 . . . . 1.0 111.179 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.3 t -113.28 129.83 68.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.432 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 t -87.22 51.66 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.016 0.376 . . . . 1.0 112.016 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.94 80.58 1.76 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.142 -0.688 . . . . 1.0 109.142 178.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 79.37 -58.88 0.38 Allowed 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.346 -0.612 . . . . 1.0 109.346 -178.036 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.446 ' CZ3' ' CD1' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -132.62 144.53 50.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.981 178.595 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 54.6 m -59.89 88.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.917 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.64 118.65 20.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' CB ' ' CD1' ' A' ' 5' ' ' TRP . 17.3 tttt -89.51 83.19 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.3 pp -160.21 150.37 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.085 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.7 mt -75.78 156.66 5.89 Favored 'Isoleucine or valine' 0 C--O 1.249 1.066 0 CA-C-O 118.241 -0.885 . . . . 1.0 111.08 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.782 0 O-C-N 123.545 0.528 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.777 0.322 . . . . 1.0 111.188 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 p -52.64 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.261 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -77.27 126.3 30.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.366 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HD2' ' CZ2' ' A' ' 7' ' ' TRP . 8.9 mttp -82.38 -176.78 6.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.208 0.528 . . . . 1.0 111.603 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.422 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 16.2 t90 -62.62 132.33 51.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.542 -0.754 . . . . 1.0 111.336 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.8 ttm 75.16 9.19 3.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.866 -0.606 . . . . 1.0 112.105 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.428 ' CZ2' ' HD2' ' A' ' 4' ' ' LYS . 14.7 m0 -87.65 171.21 10.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.97 0.414 . . . . 1.0 110.987 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.62 152.71 42.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.463 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.22 107.86 3.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.551 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -63.86 -168.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.962 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -47.64 -28.32 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.042 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.42 48.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.468 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -69.55 148.45 49.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.896 0.379 . . . . 1.0 110.59 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.39 104.52 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.554 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.8 t -100.36 172.07 7.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.236 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 m -88.8 166.06 14.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -60.32 136.16 57.95 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.143 -0.481 . . . . 1.0 111.424 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.47 12.79 56.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.831 -0.7 . . . . 1.0 113.127 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.1 mt -131.82 159.76 37.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.019 0.437 . . . . 1.0 111.211 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -117.96 137.12 52.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.326 179.704 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 t -88.76 46.58 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.186 0.439 . . . . 1.0 112.186 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.408 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -94.81 79.8 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.107 -0.701 . . . . 1.0 109.107 178.403 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.435 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 79.93 -58.26 0.35 Allowed 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.159 -0.682 . . . . 1.0 109.159 -177.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.435 ' CZ3' ' CD1' ' A' ' 23' ' ' LEU . 1.4 p90 -134.15 148.06 50.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.654 -0.703 . . . . 1.0 109.933 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 28.5 m -60.49 87.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.793 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.99 143.32 29.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.92 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 6.4 tttp -74.72 101.54 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.186 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.1 mm -140.37 145.87 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -69.89 -61.56 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.046 0 CA-C-O 118.235 -0.888 . . . . 1.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.792 0 O-C-N 123.532 0.52 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.798 0.333 . . . . 1.0 111.175 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 p -122.33 175.78 6.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.423 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 20.6 mm-40 -68.06 124.96 24.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.89 -0.596 . . . . 1.0 110.089 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HB2' ' CE2' ' A' ' 7' ' ' TRP . 49.1 mttt -79.88 -175.58 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.336 0.589 . . . . 1.0 111.892 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.469 ' CD1' ' CB ' ' A' ' 27' ' ' LYS . 16.0 t90 -61.05 131.05 49.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.364 -0.835 . . . . 1.0 111.602 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.5 ttp 65.55 16.97 10.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.758 -0.655 . . . . 1.0 112.279 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.428 ' CE2' ' HB2' ' A' ' 4' ' ' LYS . 11.3 m0 -86.01 175.22 8.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.042 0.448 . . . . 1.0 110.874 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.25 147.28 48.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.452 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.0 104.23 3.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.611 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -60.21 -165.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.5 -28.21 1.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.048 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.86 49.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.771 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.43 146.24 52.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 1.0 110.558 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.69 107.45 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.209 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 15.0 t -103.32 167.72 9.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.396 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.9 m -77.65 172.61 13.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -65.16 152.02 44.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.345 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.89 16.66 76.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.971 -0.633 . . . . 1.0 112.979 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.4 mt -128.19 157.11 41.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.917 0.389 . . . . 1.0 111.012 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 21.0 t -117.41 132.25 67.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.746 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.9 t -85.12 55.4 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 1.0 111.943 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.74 83.26 1.72 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.419 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 75.83 -62.86 0.42 Allowed 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 -177.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.419 ' CH2' HD13 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -128.09 144.92 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.569 -0.742 . . . . 1.0 109.632 178.213 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 28.3 m -61.11 93.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.93 0.395 . . . . 1.0 110.954 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -78.59 119.62 22.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 1.0 111.013 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CB ' ' CD1' ' A' ' 5' ' ' TRP . 0.4 OUTLIER -89.79 72.46 7.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.801 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.5 mm 59.79 106.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.46 106.56 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.248 1.024 0 CA-C-O 118.265 -0.874 . . . . 1.0 111.066 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.785 0 O-C-N 123.565 0.541 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.806 0.336 . . . . 1.0 111.194 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p -122.81 179.07 4.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -78.98 132.91 36.84 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.419 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -93.0 -175.7 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.049 0.452 . . . . 1.0 111.352 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.447 ' CE3' ' CG ' ' A' ' 6' ' ' MET . 21.4 t90 -60.06 139.4 57.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.794 -0.639 . . . . 1.0 111.165 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.447 ' CG ' ' CE3' ' A' ' 5' ' ' TRP . 3.3 mtm 82.9 -5.07 1.29 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.85 -0.614 . . . . 1.0 111.849 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -81.43 169.36 17.27 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.008 0.432 . . . . 1.0 110.819 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.38 151.63 43.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.909 -0.587 . . . . 1.0 111.227 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.22 99.59 1.94 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.66 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.73 -167.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.766 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.9 p -47.72 -27.9 2.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.823 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.89 59.14 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.375 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -164.29 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.715 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.59 65.26 0.67 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 111.899 0.333 . . . . 1.0 111.899 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -84.1 176.64 8.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 1.0 110.223 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.5 m -83.13 169.13 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.816 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.66 -15.41 62.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.693 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.62 22.99 36.0 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.643 -0.789 . . . . 1.0 112.146 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.7 mt -142.3 166.37 24.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.997 0.427 . . . . 1.0 111.381 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.72 144.96 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.431 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.94 113.98 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.352 0.596 . . . . 1.0 111.863 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.47 76.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.099 -0.955 . . . . 1.0 109.065 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD11 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 79.07 -59.85 0.38 Allowed 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.152 -0.685 . . . . 1.0 109.152 -177.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.417 ' CE3' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -129.22 144.92 51.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.707 -0.679 . . . . 1.0 109.882 178.545 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.7 m -65.83 100.77 0.58 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.907 0.384 . . . . 1.0 111.008 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -90.03 139.81 30.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.787 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 13.1 ttmt -70.14 161.55 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.998 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.2 mm 70.57 128.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -62.12 -51.08 76.74 Favored 'Isoleucine or valine' 0 C--O 1.25 1.086 0 CA-C-O 118.226 -0.892 . . . . 1.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.794 0 O-C-N 123.5 0.5 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.4 p90 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.877 0.37 . . . . 1.0 111.176 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -120.57 176.69 5.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -70.45 139.43 51.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.286 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.451 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 4.0 mtpm? -90.59 178.6 6.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.49 0.662 . . . . 1.0 111.91 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.453 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 16.2 t90 -62.99 137.13 58.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.158 -0.928 . . . . 1.0 111.26 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 ttm 81.3 -6.34 1.56 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.69 -0.686 . . . . 1.0 112.41 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.451 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 19.2 m0 -77.54 163.93 25.84 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.444 -0.502 . . . . 1.0 110.727 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.27 170.44 14.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.497 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 t -136.43 100.22 4.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.15 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -167.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.807 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -46.8 -29.11 1.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.978 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.88 46.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.229 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 119.78 14.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.674 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -65.24 116.06 6.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.499 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.95 -179.21 4.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.127 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.9 m -93.26 169.69 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.972 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.95 143.38 43.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.436 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.44 -8.85 79.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.846 -0.692 . . . . 1.0 113.022 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.2 mt -115.29 152.64 32.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.052 0.453 . . . . 1.0 111.386 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.46 136.58 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.325 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -87.33 53.04 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 1.0 111.909 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.3 84.37 2.32 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.2 -0.667 . . . . 1.0 109.2 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.82 -59.58 0.44 Allowed 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -135.19 143.68 46.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.629 -0.714 . . . . 1.0 109.908 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.8 m -57.68 89.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.973 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.56 134.36 34.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -75.53 120.95 21.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.204 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.9 mp -81.33 108.38 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.5 mp -68.04 -39.88 82.21 Favored 'Isoleucine or valine' 0 C--O 1.249 1.062 0 CA-C-O 118.223 -0.894 . . . . 1.0 111.125 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.789 0 O-C-N 123.546 0.529 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.0 p90 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.813 0.34 . . . . 1.0 111.204 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -120.66 174.81 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 1.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.434 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -73.7 138.11 44.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.239 179.368 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' O ' ' CD1' ' A' ' 7' ' ' TRP . 4.3 mtmp? -99.41 -178.58 3.95 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.383 0.611 . . . . 1.0 111.702 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.464 ' O ' ' CB ' ' A' ' 6' ' ' MET . 18.4 t90 -59.85 139.92 56.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.127 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.464 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 88.03 -11.66 0.48 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.752 -0.658 . . . . 1.0 112.037 179.5 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.418 ' CD1' ' O ' ' A' ' 4' ' ' LYS . 10.7 m95 -78.48 159.32 28.3 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.209 0.528 . . . . 1.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.88 164.0 27.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.654 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 t -133.21 98.15 4.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.157 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -166.92 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.754 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.8 p -47.07 -28.51 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.978 -0.556 . . . . 1.0 111.002 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.13 57.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.255 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.57 123.68 21.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.697 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 89.07 0.36 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.585 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 1.6 t -89.22 175.66 7.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.134 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.6 m -80.47 169.81 17.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.771 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.58 -15.53 62.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.746 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.91 21.88 42.52 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.502 -0.856 . . . . 1.0 112.106 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.5 mt -143.34 163.43 33.04 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.063 0.458 . . . . 1.0 111.465 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.62 135.79 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.258 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -87.13 56.78 4.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 1.0 111.907 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -107.17 84.27 1.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.169 -0.678 . . . . 1.0 109.169 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' CD2' ' CH2' ' A' ' 24' ' ' TRP . 1.6 tp 76.73 -61.16 0.45 Allowed 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.046 -0.724 . . . . 1.0 109.046 -177.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.453 ' CH2' ' CD2' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -133.12 144.21 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.601 -0.727 . . . . 1.0 109.78 178.289 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.0 m -57.78 94.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -94.31 143.1 26.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.837 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 9.6 tttm -78.56 126.55 30.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.298 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.6 mm -144.21 120.14 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.055 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mt -63.2 -63.5 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.07 0 CA-C-O 118.251 -0.88 . . . . 1.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.799 0 O-C-N 123.517 0.51 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 54.8 p90 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.796 0.331 . . . . 1.0 111.195 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 p -120.31 177.4 5.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.043 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -86.27 141.77 29.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.643 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -95.51 -175.72 3.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.381 0.61 . . . . 1.0 112.0 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.428 ' O ' ' CB ' ' A' ' 6' ' ' MET . 17.9 t90 -55.56 143.18 30.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.329 -0.85 . . . . 1.0 111.354 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.428 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 84.19 -11.98 0.81 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.81 -0.632 . . . . 1.0 112.199 179.392 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -77.26 168.06 20.68 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.829 0.347 . . . . 1.0 110.683 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.32 171.32 11.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -161.11 104.95 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.997 0.427 . . . . 1.0 111.116 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -70.07 -165.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.589 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 m -46.28 -28.65 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.056 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.26 59.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.542 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -69.71 162.92 26.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.803 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 95.79 10.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.779 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.36 177.13 5.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.22 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.1 m -98.65 171.95 7.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.911 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -58.29 147.36 31.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.261 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.94 -4.63 82.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.852 -0.689 . . . . 1.0 113.004 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.7 mt -116.31 152.03 34.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.991 0.424 . . . . 1.0 111.167 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 t -120.82 151.03 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.774 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 t -97.58 116.82 30.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.388 0.613 . . . . 1.0 111.846 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -170.28 77.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.034 -0.985 . . . . 1.0 108.689 179.548 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.418 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.2 mt 80.93 -57.31 0.3 Allowed 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.729 -0.841 . . . . 1.0 108.729 -177.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -136.74 148.71 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.877 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.8 m -62.75 92.57 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.883 0.373 . . . . 1.0 110.447 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -71.83 164.42 26.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.949 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -93.9 136.63 33.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.133 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.1 tp -160.08 150.14 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.323 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.7 mm -71.59 -40.57 71.38 Favored 'Isoleucine or valine' 0 C--O 1.25 1.079 0 CA-C-O 118.219 -0.895 . . . . 1.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.779 0 O-C-N 123.567 0.542 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 62.4 t80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.824 0.345 . . . . 1.0 111.206 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p -120.76 175.61 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.054 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -71.63 150.17 44.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.427 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.447 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 9.7 mtpp -98.57 -178.92 4.15 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.29 0.567 . . . . 1.0 111.664 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.43 ' CE3' ' HG3' ' A' ' 6' ' ' MET . 27.5 t90 -63.72 135.13 56.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.408 -0.814 . . . . 1.0 111.416 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.43 ' HG3' ' CE3' ' A' ' 5' ' ' TRP . 2.3 mtm 76.48 2.16 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 1.0 112.266 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.447 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 19.6 m0 -81.47 166.82 20.0 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.185 0.517 . . . . 1.0 111.242 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.03 164.3 26.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.404 -0.816 . . . . 1.0 111.906 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.4 t -154.77 122.43 5.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.125 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.47 -167.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.811 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -47.16 -28.01 1.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.843 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.03 60.3 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.423 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.88 -163.45 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.689 0.28 . . . . 1.0 110.531 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.93 101.43 4.58 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.86 0.362 . . . . 1.0 111.28 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -93.73 179.87 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.494 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.5 m -90.62 169.74 10.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.589 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -55.93 145.56 24.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.964 0.411 . . . . 1.0 111.228 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.36 -21.23 36.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.87 -0.681 . . . . 1.0 112.972 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.3 mt -107.72 153.09 23.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.075 0.464 . . . . 1.0 111.364 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -110.98 133.73 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.168 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -93.42 56.41 2.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 1.0 112.05 -178.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -103.75 74.39 1.23 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 178.575 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.7 tp 86.5 -37.72 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.519 -178.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.429 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -138.11 -170.92 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.423 -0.808 . . . . 1.0 109.781 178.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.1 m -110.54 76.79 1.0 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 18.5 mmtt -93.04 128.22 38.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.869 -0.605 . . . . 1.0 111.546 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 7.1 tttm -82.02 74.6 8.99 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.758 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.1 tp -110.59 151.87 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 1.0 111.278 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.99 -32.16 47.53 Favored 'Isoleucine or valine' 0 C--O 1.249 1.068 0 CA-C-O 118.197 -0.906 . . . . 1.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.807 0 O-C-N 123.534 0.521 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.817 0.342 . . . . 1.0 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -121.9 175.13 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 8' ' ' THR . 4.5 pt20 -85.44 141.16 30.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.249 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.404 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 15.9 mtmt -87.16 -178.9 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.393 0.616 . . . . 1.0 111.922 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.454 ' CD1' ' CB ' ' A' ' 27' ' ' LYS . 57.0 t90 -58.59 141.25 52.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.298 -0.865 . . . . 1.0 111.592 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.0 mtp 75.69 -1.93 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.0 0.741 . . . . 1.0 113.0 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.404 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 31.3 m95 -78.29 165.25 24.09 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 120.209 -0.596 . . . . 1.0 110.924 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.449 ' O ' ' NE2' ' A' ' 3' ' ' GLN . 2.8 p -72.26 143.99 48.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.373 -0.83 . . . . 1.0 111.713 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 t -119.8 100.0 6.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.565 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -64.72 -166.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.9 p -47.06 -28.64 1.78 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.252 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.07 48.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.647 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -71.19 120.91 17.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.703 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -64.52 122.72 17.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.978 0.418 . . . . 1.0 111.424 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.9 t -102.85 167.44 9.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.426 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.6 m -82.95 171.5 13.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.01 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.43 157.15 9.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.484 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.17 15.65 65.67 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.861 -0.608 . . . . 1.0 112.961 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.0 mt -132.52 159.1 40.41 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.953 0.406 . . . . 1.0 111.224 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.9 t -127.39 137.56 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.856 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.64 110.76 20.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.247 0.546 . . . . 1.0 111.632 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.25 81.26 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.262 -0.881 . . . . 1.0 109.079 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 77.25 -59.39 0.47 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.837 -0.801 . . . . 1.0 108.837 -177.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -134.47 145.04 48.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.496 -0.775 . . . . 1.0 109.643 178.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.416 ' SG ' ' NE2' ' A' ' 3' ' ' GLN . 8.2 m -65.14 93.16 0.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.946 0.403 . . . . 1.0 110.947 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.96 118.12 12.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.815 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.454 ' CB ' ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -87.97 120.24 29.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.867 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.8 mp -125.39 129.72 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.1 mm -73.3 -64.32 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.059 0 CA-C-O 118.195 -0.907 . . . . 1.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.793 0 O-C-N 123.589 0.555 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.824 0.345 . . . . 1.0 111.178 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -49.05 174.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.333 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.46 144.41 53.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.714 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp -93.56 -176.73 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.219 0.533 . . . . 1.0 111.581 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.422 ' CD2' ' HG3' ' A' ' 6' ' ' MET . 36.1 t90 -62.23 137.37 58.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.656 -0.702 . . . . 1.0 111.316 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.422 ' HG3' ' CD2' ' A' ' 5' ' ' TRP . 80.5 mtp 67.36 9.23 6.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.693 -0.685 . . . . 1.0 112.41 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -82.39 173.42 12.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.002 0.429 . . . . 1.0 110.989 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.43 159.52 34.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.639 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.97 116.72 2.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.452 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.42 -169.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 t -47.69 -27.98 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.778 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.26 58.43 0.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.284 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -164.74 0.05 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.58 -0.282 . . . . 1.0 110.502 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.16 92.22 3.34 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.849 0.356 . . . . 1.0 111.43 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.7 t -91.95 176.98 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.394 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.8 m -88.92 168.85 12.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.513 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.58 145.65 38.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.942 0.401 . . . . 1.0 111.195 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.37 -15.3 58.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.869 -0.682 . . . . 1.0 113.16 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.2 mt -107.08 150.9 26.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.151 0.5 . . . . 1.0 111.44 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.3 t -105.34 128.61 59.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.401 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.3 t -91.74 54.4 2.45 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.217 0.451 . . . . 1.0 112.217 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.43 78.09 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 178.542 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.449 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER 84.66 -44.51 0.08 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 -177.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.435 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -132.31 -171.89 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.253 178.619 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.3 m -107.92 73.17 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.053 0.454 . . . . 1.0 109.811 178.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.435 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 11.0 mmtm -94.48 125.99 39.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.85 -0.613 . . . . 1.0 111.348 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -68.19 146.43 53.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.7 mt 63.41 149.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.076 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.1 mt -77.23 142.26 14.49 Favored 'Isoleucine or valine' 0 C--O 1.249 1.062 0 CA-C-O 118.228 -0.891 . . . . 1.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.79 0 O-C-N 123.512 0.508 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.8 p90 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.884 0.373 . . . . 1.0 111.156 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p -120.93 172.83 7.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -76.48 147.16 38.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.187 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 7' ' ' TRP . 13.4 mttt -104.04 -179.55 3.98 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.573 0.701 . . . . 1.0 112.195 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.44 ' O ' ' CB ' ' A' ' 6' ' ' MET . 16.0 t90 -59.18 142.45 51.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.111 -0.95 . . . . 1.0 111.215 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.44 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 85.8 -13.42 0.6 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.718 -0.674 . . . . 1.0 112.22 179.399 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.422 ' CD1' ' O ' ' A' ' 4' ' ' LYS . 14.9 m95 -70.01 168.43 15.45 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 120.469 -0.492 . . . . 1.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.08 164.13 26.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.997 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.3 t -131.16 92.46 3.2 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.123 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -71.11 -173.91 0.9 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.788 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 p -51.38 -26.64 8.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.642 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.2 56.05 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.028 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -68.95 147.85 51.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.66 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.27 103.61 15.63 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.448 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -104.86 178.16 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.167 179.276 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.5 m -78.2 171.5 14.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.526 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.5 -13.72 62.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.857 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.26 23.03 37.86 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.516 -0.85 . . . . 1.0 112.048 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.9 mt -146.02 164.17 32.92 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.003 0.43 . . . . 1.0 111.569 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.92 166.6 27.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.515 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.49 116.85 33.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.32 0.581 . . . . 1.0 111.824 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.55 81.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.216 -0.902 . . . . 1.0 108.875 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' CD1' ' CH2' ' A' ' 24' ' ' TRP . 0.6 OUTLIER 76.75 -60.84 0.46 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.607 -0.886 . . . . 1.0 108.607 -177.489 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.446 ' CH2' ' CD1' ' A' ' 23' ' ' LEU . 1.2 p90 -137.14 147.79 46.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.533 -0.758 . . . . 1.0 109.687 177.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 m -51.36 96.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.887 0.375 . . . . 1.0 110.616 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 138.64 32.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.206 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 1.1 ttpm? -81.44 149.54 28.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.536 . . . . 1.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.435 HD12 HG21 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -148.4 159.0 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.17 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -71.84 137.08 24.37 Favored 'Isoleucine or valine' 0 C--O 1.249 1.055 0 CA-C-O 118.186 -0.911 . . . . 1.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.795 0 O-C-N 123.57 0.544 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.4 t80 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.814 0.34 . . . . 1.0 111.174 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -122.25 174.53 6.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.138 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -71.21 146.1 49.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.414 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.451 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 2.2 mtpm? -94.76 -179.45 4.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.451 0.644 . . . . 1.0 111.858 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.426 ' CD2' ' CG ' ' A' ' 6' ' ' MET . 27.7 t90 -64.58 133.89 53.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.329 -0.85 . . . . 1.0 111.503 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.426 ' CG ' ' CD2' ' A' ' 5' ' ' TRP . 0.8 OUTLIER 76.2 1.73 3.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.766 -0.652 . . . . 1.0 112.295 179.171 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.451 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 17.3 m0 -81.9 166.36 19.98 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.209 0.528 . . . . 1.0 111.054 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.91 162.05 30.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.466 -0.788 . . . . 1.0 111.484 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.61 100.24 4.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.481 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -57.61 -167.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.994 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.39 -29.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.959 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.07 45.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.342 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -70.39 103.72 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.506 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 121.02 9.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.652 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.44 178.86 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.163 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -87.78 169.99 11.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.76 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.21 131.2 48.63 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.449 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.98 -7.89 53.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 1.0 113.233 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.9 mt -114.55 151.33 33.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.12 0.486 . . . . 1.0 111.496 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.5 t -105.63 127.96 60.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.613 -0.722 . . . . 1.0 110.294 179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.2 t -90.82 45.57 1.26 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.2 0.444 . . . . 1.0 112.2 -178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -90.88 73.81 6.52 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 178.544 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER 87.23 -44.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.796 -0.638 . . . . 1.0 109.336 -177.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.432 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -129.54 -169.81 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.369 -0.832 . . . . 1.0 109.243 178.65 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.2 m -111.27 73.81 0.84 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.996 0.427 . . . . 1.0 109.993 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.432 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 10.6 mmtp -94.1 128.05 40.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.151 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -57.02 162.92 2.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -43.67 164.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.736 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.4 mm -72.82 -20.39 19.13 Favored 'Isoleucine or valine' 0 C--O 1.249 1.051 0 CA-C-O 118.228 -0.891 . . . . 1.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.784 0 O-C-N 123.496 0.498 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.825 0.345 . . . . 1.0 111.195 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -120.84 174.18 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.083 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.401 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 13.6 pt20 -86.31 147.54 26.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.445 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -84.99 178.74 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 1.0 112.191 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.442 ' O ' ' HB2' ' A' ' 6' ' ' MET . 66.7 t90 -58.19 145.45 37.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.964 -1.016 . . . . 1.0 111.375 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' TRP . 2.2 mmm 71.35 0.75 3.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.477 -0.783 . . . . 1.0 112.883 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -76.82 166.56 23.19 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 120.159 -0.616 . . . . 1.0 110.815 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p -71.88 145.73 48.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.59 -0.732 . . . . 1.0 111.51 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.75 106.81 9.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.803 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.62 -166.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.746 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -46.71 -28.52 1.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.014 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.67 55.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.464 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -69.67 164.96 22.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.533 -0.303 . . . . 1.0 110.642 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.53 110.34 22.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.003 0.43 . . . . 1.0 111.843 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HA ' ' HG3' ' A' ' 3' ' ' GLN . 13.6 t -102.08 167.14 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.119 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.56 171.99 14.33 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.043 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.53 159.85 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.375 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.49 11.46 62.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.981 -0.628 . . . . 1.0 112.973 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 68.0 mt -129.19 157.14 42.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.913 0.387 . . . . 1.0 111.11 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 20.9 t -120.04 149.4 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.3 t -92.41 42.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.008 0.373 . . . . 1.0 112.008 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.38 79.83 4.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' CD2' ' CZ3' ' A' ' 24' ' ' TRP . 4.3 tp 77.83 -59.14 0.45 Allowed 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.447 ' CZ3' ' CD2' ' A' ' 23' ' ' LEU . 2.4 p90 -132.58 154.4 50.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.658 -0.701 . . . . 1.0 109.807 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 47.7 m -59.63 88.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.935 0.398 . . . . 1.0 110.865 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.07 122.16 26.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.995 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 10.7 tttp -91.97 81.79 5.12 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.645 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 tp -122.24 149.09 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.295 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 mp -69.06 -57.74 7.75 Favored 'Isoleucine or valine' 0 C--O 1.249 1.05 0 CA-C-O 118.194 -0.907 . . . . 1.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.818 0 O-C-N 123.552 0.532 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.862 0.363 . . . . 1.0 111.172 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p -51.43 177.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.458 . . . . 1.0 111.327 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -74.91 139.05 42.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.457 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.415 ' HE3' ' CZ2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -99.29 -179.24 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.271 0.558 . . . . 1.0 111.518 -179.619 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.451 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 28.5 t90 -62.61 137.7 58.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.522 -0.763 . . . . 1.0 111.235 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.442 ' CG ' ' CE3' ' A' ' 5' ' ' TRP . 3.3 mtp 86.04 -11.85 0.65 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.792 -0.64 . . . . 1.0 112.005 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.415 ' CZ2' ' HE3' ' A' ' 4' ' ' LYS . 31.0 m95 -80.95 162.19 23.98 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.141 0.496 . . . . 1.0 111.061 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.02 170.26 14.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.511 -0.768 . . . . 1.0 111.498 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.78 111.19 3.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.39 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -60.46 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.1 -28.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.889 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.75 49.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.332 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -69.34 150.64 47.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.866 0.365 . . . . 1.0 110.563 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -79.75 117.84 21.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.216 0.531 . . . . 1.0 112.085 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -110.79 -179.23 3.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.557 -0.747 . . . . 1.0 110.06 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.8 m -95.65 168.06 10.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.803 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -59.14 132.37 53.82 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.348 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.98 -9.16 58.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 1.0 113.082 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.7 mt -113.35 152.77 29.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.978 0.418 . . . . 1.0 111.28 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.6 140.95 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.426 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.8 t -89.7 46.37 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.048 0.388 . . . . 1.0 112.048 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.83 83.7 3.75 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.373 -0.602 . . . . 1.0 109.373 178.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.37 -60.51 0.44 Allowed 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.407 -0.59 . . . . 1.0 109.407 -178.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -132.92 145.58 51.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.711 -0.677 . . . . 1.0 109.929 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 m -59.65 95.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.917 0.389 . . . . 1.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -102.86 145.27 30.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.003 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 4.4 tttp -73.75 72.38 1.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.344 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.2 mp -148.21 153.85 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.879 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mt -79.04 -37.33 19.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.026 0 CA-C-O 118.267 -0.873 . . . . 1.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.25 -3.748 0 O-C-N 123.497 0.498 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 53.6 p90 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.836 0.35 . . . . 1.0 111.202 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -121.21 176.46 5.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -70.87 142.6 51.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.297 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.415 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 5.4 mtpt -99.24 179.22 4.66 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.433 0.635 . . . . 1.0 111.939 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.473 ' O ' ' CB ' ' A' ' 6' ' ' MET . 15.1 t90 -62.37 135.81 57.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.196 -0.911 . . . . 1.0 111.207 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.473 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 1.1 tmm? 87.57 -13.26 0.47 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.745 -0.661 . . . . 1.0 112.246 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.415 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 24.1 m95 -78.99 161.62 26.51 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.501 -0.48 . . . . 1.0 110.864 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.15 -178.43 2.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.656 -0.702 . . . . 1.0 111.39 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -152.89 103.59 2.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.432 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.25 -167.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.011 -0.54 . . . . 1.0 111.042 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.5 p -46.41 -29.04 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.08 45.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.413 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -69.89 120.59 15.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.447 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -63.53 124.11 20.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.133 0.492 . . . . 1.0 111.834 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -107.44 -178.09 3.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.801 -0.636 . . . . 1.0 109.973 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.0 m -95.04 168.62 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -57.98 137.92 56.37 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.484 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.59 -6.57 67.88 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.807 -0.711 . . . . 1.0 113.159 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.8 mt -116.18 152.27 34.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.05 0.453 . . . . 1.0 111.407 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.7 t -112.52 139.4 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.436 179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.7 t -89.79 44.52 1.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.122 0.416 . . . . 1.0 112.122 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.14 81.13 5.03 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 78.84 -59.07 0.41 Allowed 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 -178.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -133.68 144.81 49.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.997 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.4 m -57.99 89.47 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.95 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -85.99 145.22 27.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.94 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' O ' ' O ' ' A' ' 28' ' ' ILE . 12.2 tttp -72.95 119.96 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.075 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.518 ' O ' ' O ' ' A' ' 27' ' ' LYS . 2.1 pp 44.26 172.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.586 0.708 . . . . 1.0 112.614 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.24 115.34 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.053 0 CA-C-O 118.157 -0.925 . . . . 1.0 111.103 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.808 0 O-C-N 123.568 0.543 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.872 0.368 . . . . 1.0 111.211 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -121.91 178.03 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -72.93 143.08 47.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.714 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -102.87 -178.82 3.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.158 0.504 . . . . 1.0 111.558 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.519 ' O ' ' CB ' ' A' ' 6' ' ' MET . 7.9 t90 -69.17 89.42 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.994 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.519 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 149.0 -24.73 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 O-C-N 123.547 0.529 . . . . 1.0 111.419 179.4 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.409 ' CD1' ' HE3' ' A' ' 6' ' ' MET . 32.8 m95 -69.47 170.52 10.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.054 0.454 . . . . 1.0 111.408 -179.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.09 -176.19 1.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.594 -0.73 . . . . 1.0 111.299 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -150.61 97.15 2.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.338 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -70.26 -169.19 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.759 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.1 t -47.9 -28.68 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.035 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.43 55.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -69.79 144.38 52.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.816 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.41 108.99 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.465 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.59 179.72 4.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.45 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.0 m -95.71 167.75 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.487 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -57.89 145.55 35.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.926 0.393 . . . . 1.0 111.127 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.03 -11.0 66.21 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.856 -0.688 . . . . 1.0 113.167 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.2 mt -105.68 150.72 25.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.128 0.489 . . . . 1.0 111.31 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.14 150.05 21.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.803 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.48 113.81 25.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.316 0.579 . . . . 1.0 111.62 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.33 86.67 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.22 -0.9 . . . . 1.0 108.919 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.78 -59.33 0.45 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.804 -0.813 . . . . 1.0 108.804 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -143.28 144.04 31.96 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.513 -0.767 . . . . 1.0 109.772 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 7' ' ' TRP . 4.5 m -55.5 98.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.91 0.386 . . . . 1.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -81.65 165.49 21.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.713 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 9.6 tttm -92.53 74.63 5.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 1.0 111.457 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.8 mt -151.14 149.44 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.4 mm -70.98 119.09 16.62 Favored 'Isoleucine or valine' 0 C--O 1.248 1.024 0 CA-C-O 118.224 -0.893 . . . . 1.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.766 0 O-C-N 123.543 0.527 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.813 0.339 . . . . 1.0 111.203 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -121.48 177.07 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.58 144.05 46.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.727 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -103.98 177.79 4.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.351 0.596 . . . . 1.0 111.842 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.508 ' O ' ' CB ' ' A' ' 6' ' ' MET . 7.5 t90 -66.89 89.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.2 -0.909 . . . . 1.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.508 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 152.55 -31.89 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.435 0.46 . . . . 1.0 111.166 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.405 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 28.8 m95 -75.44 160.22 30.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.052 0.454 . . . . 1.0 111.331 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.19 -175.86 1.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.66 111.06 3.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.679 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.37 -168.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.728 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.9 t -47.04 -28.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.979 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.23 52.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.271 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -69.54 150.05 47.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.718 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -80.77 117.06 21.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.278 0.561 . . . . 1.0 112.037 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -111.99 177.5 4.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.419 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.2 m -94.22 166.91 11.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.336 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -57.42 145.43 32.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.014 0.435 . . . . 1.0 111.177 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.62 -7.86 77.64 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.862 -0.685 . . . . 1.0 113.289 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 5' ' ' TRP . 44.1 mt -107.87 150.68 26.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.16 0.505 . . . . 1.0 111.402 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 20.7 t -113.0 141.8 27.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.932 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -90.6 39.72 0.99 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.867 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.38 84.95 6.46 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' CD1' ' CZ3' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 78.09 -58.05 0.46 Allowed 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.423 -0.584 . . . . 1.0 109.423 -178.263 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.447 ' CZ3' ' CD1' ' A' ' 23' ' ' LEU . 2.6 p90 -138.85 151.78 47.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.827 -0.624 . . . . 1.0 109.998 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 17.8 m -60.17 89.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 1.0 110.723 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -84.14 170.47 13.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.657 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 15.9 tttt -94.98 141.37 28.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.136 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.4 tp -167.28 136.28 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 1.0 111.307 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.3 mt -78.3 155.3 5.08 Favored 'Isoleucine or valine' 0 C--O 1.249 1.065 0 CA-C-O 118.228 -0.892 . . . . 1.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.771 0 O-C-N 123.503 0.502 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.798 0.332 . . . . 1.0 111.258 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -120.63 175.91 5.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -71.96 145.24 48.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.563 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 4.2 mtpm? -105.18 -179.49 3.96 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.369 0.604 . . . . 1.0 111.508 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.448 ' O ' ' CB ' ' A' ' 6' ' ' MET . 21.3 t90 -62.22 137.69 58.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.479 -0.782 . . . . 1.0 111.16 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.448 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 1.2 mtp 87.38 -12.92 0.49 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.748 -0.66 . . . . 1.0 112.096 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.401 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 22.1 m95 -81.75 159.43 23.86 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.256 0.55 . . . . 1.0 111.233 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.19 -178.47 2.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.328 -0.851 . . . . 1.0 111.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.28 110.92 3.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.667 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.83 -168.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.766 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.6 p -47.13 -28.52 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.001 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.24 49.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.264 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.61 133.35 47.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.853 0.358 . . . . 1.0 110.714 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -73.96 121.84 21.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.113 0.482 . . . . 1.0 111.753 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -106.37 179.45 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.183 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.9 m -92.77 169.31 10.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.717 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -60.16 133.0 55.67 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.364 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.98 -13.93 57.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 1.0 113.0 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.2 mt -110.48 151.27 27.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.047 0.451 . . . . 1.0 111.367 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -111.72 136.14 48.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.649 . . . . 1.0 110.064 179.308 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.0 t -90.39 46.29 1.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.505 . . . . 1.0 112.084 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -89.67 70.39 7.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 178.715 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 3.1 tp 86.7 -39.41 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.637 -0.71 . . . . 1.0 109.457 -178.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.437 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.23 -168.89 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.397 -0.82 . . . . 1.0 109.494 178.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.05 81.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.105 -0.702 . . . . 1.0 109.105 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 2.9 mmtp -96.16 142.46 28.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.885 -0.598 . . . . 1.0 111.671 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 3.1 tttp -85.84 75.0 10.09 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.079 -0.51 . . . . 1.0 111.098 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.0 tp -122.07 149.55 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.245 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.1 mt -77.47 111.77 14.66 Favored 'Isoleucine or valine' 0 C--O 1.249 1.073 0 CA-C-O 118.172 -0.918 . . . . 1.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.797 0 O-C-N 123.56 0.537 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.869 0.366 . . . . 1.0 111.132 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -121.85 175.6 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.075 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -75.71 149.14 38.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.337 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.449 ' CE ' ' CZ2' ' A' ' 7' ' ' TRP . 26.8 mtmt -99.41 179.27 4.62 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.365 0.602 . . . . 1.0 111.772 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.434 ' O ' ' CB ' ' A' ' 6' ' ' MET . 24.0 t90 -63.74 134.9 56.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.334 -0.848 . . . . 1.0 111.431 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.434 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 3.1 mtp 85.15 -8.28 0.87 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.691 -0.686 . . . . 1.0 112.37 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.449 ' CZ2' ' CE ' ' A' ' 4' ' ' LYS . 22.9 m95 -82.44 160.81 22.64 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 121.36 0.6 . . . . 1.0 111.239 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 p -72.36 179.32 3.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.204 -0.907 . . . . 1.0 111.492 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.8 99.05 3.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.269 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -56.88 -167.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.152 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -46.32 -28.95 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.66 44.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.507 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -76.57 89.21 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.376 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -53.91 128.63 30.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.647 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -94.21 -178.45 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.112 179.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -90.2 169.75 10.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.727 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.98 133.65 56.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.399 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.38 -14.06 56.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 1.0 113.033 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.0 mt -114.0 152.8 30.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.163 0.506 . . . . 1.0 111.588 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.2 t -105.34 129.05 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.362 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 t -91.33 44.93 1.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.982 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -90.44 75.16 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 178.783 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 2.9 tp 86.21 -44.74 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.423 -178.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.435 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -130.62 -170.03 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.368 -0.833 . . . . 1.0 109.3 178.674 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.8 m -110.2 75.33 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.435 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 11.4 mmtp -95.92 122.51 38.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.282 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -71.12 148.54 47.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 1.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.0 mp -87.3 152.06 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 mt -71.9 -40.45 68.51 Favored 'Isoleucine or valine' 0 C--O 1.25 1.08 0 CA-C-O 118.256 -0.878 . . . . 1.0 111.08 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.768 0 O-C-N 123.524 0.515 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.804 0.335 . . . . 1.0 111.182 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -120.82 174.19 6.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -67.92 147.57 52.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.199 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 3.0 mtpm? -95.77 -179.41 4.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.386 0.612 . . . . 1.0 111.918 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.433 ' CE3' ' HG3' ' A' ' 6' ' ' MET . 28.4 t90 -64.28 133.26 52.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.265 -0.879 . . . . 1.0 111.482 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.433 ' HG3' ' CE3' ' A' ' 5' ' ' TRP . 3.3 mtm 76.81 1.69 3.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.809 -0.632 . . . . 1.0 112.332 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.448 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 17.0 m0 -81.73 166.42 20.09 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.186 0.517 . . . . 1.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.97 159.68 33.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.509 -0.768 . . . . 1.0 111.862 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.5 t -133.1 96.14 3.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.064 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.91 -168.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.101 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 p -46.82 -29.27 1.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.47 44.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.398 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -74.97 93.46 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.421 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 127.11 21.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.198 0.523 . . . . 1.0 111.567 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -101.97 178.84 4.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.196 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.9 m -88.23 169.25 12.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.404 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.38 150.87 21.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.005 0.431 . . . . 1.0 111.279 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.12 -7.14 68.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.949 -0.643 . . . . 1.0 113.401 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.4 mt -113.15 150.61 31.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.15 0.5 . . . . 1.0 111.554 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 24' ' ' TRP . 25.6 t -108.53 128.54 64.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.258 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.34 46.38 1.34 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.289 0.477 . . . . 1.0 112.289 -178.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -92.65 73.56 5.04 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 178.533 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.47 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.2 tt 87.4 -41.01 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.859 -0.609 . . . . 1.0 109.486 -178.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.438 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.86 -169.53 2.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.299 -0.864 . . . . 1.0 109.204 178.765 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.4 m -109.5 69.31 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.034 0.445 . . . . 1.0 109.857 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 12.3 mmtt -87.15 124.36 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.822 -0.626 . . . . 1.0 111.245 -179.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -75.25 133.03 41.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.5 mm -141.31 142.39 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.4 HG22 HD11 ' A' ' 29' ' ' ILE . 24.8 mm -75.3 137.93 21.93 Favored 'Isoleucine or valine' 0 C--O 1.249 1.065 0 CA-C-O 118.236 -0.887 . . . . 1.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.778 0 O-C-N 123.533 0.521 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.809 0.338 . . . . 1.0 111.225 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -121.4 176.4 5.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.426 ' NE2' ' HB3' ' A' ' 13' ' ' ARG . 14.9 mt-30 -75.62 149.21 38.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.615 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -103.31 179.59 4.23 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.427 0.632 . . . . 1.0 111.693 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.491 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 30.8 t90 -62.09 137.73 58.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.339 -0.846 . . . . 1.0 111.214 -179.866 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.455 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 1.1 mtm 86.8 -12.06 0.57 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.794 -0.639 . . . . 1.0 112.282 179.374 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -76.81 158.87 30.55 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.34 -0.544 . . . . 1.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.86 167.19 21.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.483 -0.781 . . . . 1.0 111.585 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.4 t -127.21 97.81 5.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.095 0.474 . . . . 1.0 110.146 178.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.85 -168.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.102 -179.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 t -47.83 -29.05 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.093 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.03 45.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.447 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HB3' ' NE2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -77.8 99.2 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.491 179.615 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 131.09 49.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.247 0.546 . . . . 1.0 111.793 -179.316 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -101.41 -176.2 3.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.001 179.137 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.0 m -93.07 171.35 9.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.879 0.371 . . . . 1.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.16 136.49 57.26 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.36 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.88 -15.46 61.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 1.0 113.02 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.0 mt -110.56 156.93 20.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.088 0.47 . . . . 1.0 111.408 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.46 140.9 41.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.438 179.615 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.7 49.17 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 1.0 111.803 -179.407 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -98.1 80.66 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 178.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' CD1' ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 78.58 -58.18 0.44 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.371 -0.604 . . . . 1.0 109.371 -178.084 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.453 ' CH2' ' CD1' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -132.8 144.19 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.769 -0.651 . . . . 1.0 110.126 178.652 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.2 m -59.18 89.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.734 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -91.36 124.8 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.064 -179.759 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 4.7 ttmm -81.33 131.92 35.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.9 mp -89.06 111.22 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.08 179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.7 mm -69.68 128.04 32.47 Favored 'Isoleucine or valine' 0 C--O 1.249 1.035 0 CA-C-O 118.285 -0.864 . . . . 1.0 111.088 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.25 -3.755 0 O-C-N 123.51 0.506 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.4 t80 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.811 0.339 . . . . 1.0 111.199 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 p -49.75 175.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.448 . . . . 1.0 111.413 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -72.19 139.94 48.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.58 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -99.56 178.17 4.94 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.293 0.568 . . . . 1.0 111.817 -179.413 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.543 ' O ' ' CB ' ' A' ' 6' ' ' MET . 11.7 t90 -70.14 95.57 0.99 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.341 -0.845 . . . . 1.0 110.933 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.543 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 14.5 mtp 143.63 -26.73 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.888 0.742 . . . . 1.0 110.93 179.614 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -75.29 161.38 29.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.04 0.448 . . . . 1.0 111.16 -179.481 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.27 -178.1 1.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.168 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -156.86 110.28 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.71 179.519 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.13 -166.88 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.785 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.3 p -46.99 -28.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.98 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.32 55.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.372 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -69.45 147.31 51.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.826 0.346 . . . . 1.0 110.522 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.4 105.98 11.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.706 -179.302 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -102.17 177.38 4.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.219 179.002 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.3 m -87.9 171.45 10.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.446 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -67.33 126.39 29.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.907 0.384 . . . . 1.0 111.238 -179.449 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.41 -0.07 40.34 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.767 -0.73 . . . . 1.0 113.118 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 5' ' ' TRP . 3.2 mp -114.82 150.15 35.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.043 0.449 . . . . 1.0 111.286 -179.731 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.38 145.37 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.771 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 t -93.36 43.35 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.639 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.49 83.55 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.515 -0.55 . . . . 1.0 109.515 178.84 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.455 ' CD2' ' CH2' ' A' ' 24' ' ' TRP . 2.5 tp 77.96 -58.6 0.46 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.483 -0.562 . . . . 1.0 109.483 -178.451 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.455 ' CH2' ' CD2' ' A' ' 23' ' ' LEU . 1.3 p90 -137.41 150.1 47.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.027 178.726 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.9 m -57.75 93.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.904 0.383 . . . . 1.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.27 166.95 13.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.705 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.6 OUTLIER -92.75 115.1 27.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.415 -179.661 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 30.5 mm -144.98 118.88 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 mm -72.86 143.14 14.21 Favored 'Isoleucine or valine' 0 C--O 1.249 1.041 0 CA-C-O 118.216 -0.897 . . . . 1.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.784 0 O-C-N 123.536 0.523 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.843 0.354 . . . . 1.0 111.23 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -121.63 174.92 6.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.057 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 14.1 mt-30 -74.96 138.92 42.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.105 179.276 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.416 ' HE2' ' CZ2' ' A' ' 7' ' ' TRP . 13.1 mtmm -97.06 -178.09 4.08 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.185 0.516 . . . . 1.0 111.548 -179.352 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.451 ' CE3' ' CG ' ' A' ' 6' ' ' MET . 20.2 t90 -59.09 138.26 57.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.533 -0.758 . . . . 1.0 111.608 -179.307 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.451 ' CG ' ' CE3' ' A' ' 5' ' ' TRP . 0.9 OUTLIER 85.33 -9.2 0.82 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.66 -0.7 . . . . 1.0 112.272 179.203 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.416 ' CZ2' ' HE2' ' A' ' 4' ' ' LYS . 17.5 m95 -77.31 162.39 27.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.28 0.562 . . . . 1.0 111.094 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.39 177.01 4.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.308 -0.86 . . . . 1.0 111.641 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 t -165.25 111.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.184 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.2 -167.81 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.609 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.7 p -46.54 -28.57 1.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.763 179.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.9 60.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.121 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -165.66 0.08 Allowed 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.605 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.54 96.3 4.92 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 -179.386 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 1.8 t -103.06 174.46 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.039 178.795 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.2 m -78.04 168.99 19.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.55 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -13.4 62.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.841 -179.298 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.86 21.49 45.82 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.511 -0.852 . . . . 1.0 112.136 179.607 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.8 mt -142.69 161.35 38.31 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.127 0.489 . . . . 1.0 111.708 -179.333 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.19 122.65 62.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.26 179.422 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.03 69.06 5.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.977 0.418 . . . . 1.0 112.086 -179.014 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.479 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -118.19 74.81 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.861 -0.792 . . . . 1.0 108.861 178.403 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER 87.72 -39.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 -177.595 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.434 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -138.54 -171.93 3.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.286 -0.87 . . . . 1.0 109.553 178.85 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.8 m -108.31 75.85 1.0 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 178.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.434 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 24.8 mmtt -95.78 126.59 41.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.74 -0.664 . . . . 1.0 111.04 -179.219 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -59.5 147.72 35.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 1.0 111.112 -179.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.418 ' N ' ' CD1' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -46.59 153.73 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.552 -179.834 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.0 mt -77.01 153.11 5.6 Favored 'Isoleucine or valine' 0 C--O 1.249 1.048 0 CA-C-O 118.263 -0.875 . . . . 1.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.807 0 O-C-N 123.517 0.511 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.804 0.335 . . . . 1.0 111.198 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -121.77 174.52 6.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 1.0 111.103 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.435 ' CG ' ' HD3' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -78.27 146.42 34.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.294 179.465 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 7' ' ' TRP . 17.1 mttm -103.1 -176.7 3.16 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.654 0.74 . . . . 1.0 112.264 -178.735 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.446 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 17.2 t90 -57.01 145.61 29.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.054 -0.975 . . . . 1.0 111.129 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.445 ' HG3' ' CD2' ' A' ' 5' ' ' TRP . 0.1 OUTLIER 85.12 -14.91 0.56 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.796 -0.638 . . . . 1.0 112.368 179.406 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 4' ' ' LYS . 19.8 m95 -69.79 167.76 16.52 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.306 -0.558 . . . . 1.0 110.996 -179.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.3 163.61 27.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.784 -0.644 . . . . 1.0 112.221 -179.245 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.418 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 1.7 t -130.62 87.94 2.56 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.712 -0.676 . . . . 1.0 109.876 178.833 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -71.27 -174.1 0.97 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.761 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 t -51.39 -26.51 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.535 179.399 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.48 57.0 0.07 Allowed 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.925 -0.58 . . . . 1.0 111.072 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' HD3' ' CG ' ' A' ' 3' ' ' GLN . 1.4 tmm_? -68.84 153.31 44.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.554 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -97.87 89.76 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.11 0.411 . . . . 1.0 112.11 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -96.66 -179.39 4.58 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 178.645 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.5 m -82.16 170.79 15.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.901 0.381 . . . . 1.0 111.048 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -15.7 62.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.806 -179.401 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.87 23.26 33.75 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.572 -0.823 . . . . 1.0 112.244 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 25' ' ' CYS . 24.5 mt -144.42 165.64 27.37 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.865 0.364 . . . . 1.0 111.221 -179.404 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.67 161.31 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.803 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -99.74 115.08 28.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.424 0.63 . . . . 1.0 111.832 -179.639 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.45 79.65 0.09 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.127 -0.942 . . . . 1.0 109.001 179.519 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 78.42 -59.92 0.41 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.994 -0.743 . . . . 1.0 108.994 -177.879 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -139.69 145.26 38.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.965 178.569 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.434 ' HB3' HD12 ' A' ' 19' ' ' LEU . 52.7 m -49.8 102.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 1.0 110.804 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -90.95 130.59 36.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.977 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 9.0 tttt -86.5 97.26 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.292 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.428 ' N ' ' CD1' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -155.52 138.72 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.148 179.909 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.9 mt -77.2 -43.64 31.22 Favored 'Isoleucine or valine' 0 C--O 1.249 1.048 0 CA-C-O 118.257 -0.878 . . . . 1.0 111.1 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.78 0 O-C-N 123.531 0.52 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 t80 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.845 0.355 . . . . 1.0 111.188 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p -50.9 176.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.348 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.03 136.75 45.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.758 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -87.29 -174.02 4.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.116 0.484 . . . . 1.0 111.493 -179.55 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.456 ' CD1' ' CB ' ' A' ' 27' ' ' LYS . 13.2 t90 -60.83 132.05 52.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 1.0 111.299 -179.793 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.3 ttp 70.07 15.18 7.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.769 -0.651 . . . . 1.0 112.372 178.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -84.9 178.34 7.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.943 0.402 . . . . 1.0 110.783 179.541 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -70.94 146.77 49.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.294 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -152.27 106.46 3.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.658 179.429 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -70.05 -167.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.2 p -47.17 -28.34 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.05 56.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.499 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -69.43 -168.92 0.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.574 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.66 90.17 3.27 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.804 0.335 . . . . 1.0 111.754 -179.441 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.09 -179.01 5.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.245 179.06 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.3 m -96.04 169.45 9.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.73 145.79 33.36 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.451 -179.659 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.88 -9.3 72.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.716 . . . . 1.0 113.031 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.6 mt -110.89 153.86 24.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.008 0.432 . . . . 1.0 111.189 -179.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.7 t -115.17 142.29 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.614 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.33 114.83 26.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.326 0.584 . . . . 1.0 111.782 -179.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.37 75.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.226 -0.897 . . . . 1.0 109.081 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.423 HD11 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 79.43 -56.92 0.41 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 -177.905 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.423 ' CE3' HD11 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -130.86 144.89 51.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.821 178.522 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.4 m -71.57 107.49 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.893 0.378 . . . . 1.0 110.971 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.38 123.37 36.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.996 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.456 ' CB ' ' CD1' ' A' ' 5' ' ' TRP . 7.0 ttmt -84.87 81.26 8.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.838 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.3 pp -159.98 162.34 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mt -77.83 112.6 15.99 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 CA-C-O 118.235 -0.888 . . . . 1.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.787 0 O-C-N 123.527 0.517 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.94 0.4 . . . . 1.0 111.349 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.33 123.11 20.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.696 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -79.82 -175.37 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.218 0.533 . . . . 1.0 111.692 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.473 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 15.1 t90 -59.63 131.48 51.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.43 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.6 ttp 72.53 15.11 5.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.814 -0.63 . . . . 1.0 112.334 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -89.72 173.86 8.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.906 0.384 . . . . 1.0 110.869 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.36 163.61 27.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.398 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.34 112.7 0.85 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.52 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -70.21 -169.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.048 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 p -48.52 -27.69 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.213 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.7 51.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.681 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -69.09 -169.93 0.21 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.598 -0.274 . . . . 1.0 110.561 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.81 92.17 3.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 1.0 111.829 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -93.45 169.23 10.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.303 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.7 m -85.39 167.97 15.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 149.47 26.81 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.501 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.32 7.7 88.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.873 -0.68 . . . . 1.0 113.092 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 27' ' ' LYS . 78.8 mt -125.94 157.72 37.02 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.962 0.41 . . . . 1.0 111.179 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.404 HG12 ' HD3' ' A' ' 22' ' ' ARG . 20.3 t -113.28 129.83 68.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.432 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 t -87.22 51.66 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.016 0.376 . . . . 1.0 112.016 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HD3' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -103.94 80.58 1.76 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.142 -0.688 . . . . 1.0 109.142 178.419 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.747 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 79.37 -58.88 0.38 Allowed 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.346 -0.612 . . . . 1.0 109.346 -178.036 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.747 ' CZ3' HD12 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -132.62 144.53 50.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.981 178.595 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.4 ' HB3' HD13 ' A' ' 19' ' ' LEU . 54.6 m -59.89 88.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.917 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.64 118.65 20.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 17.3 tttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.983 0.421 . . . . 1.0 111.261 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -77.27 126.3 30.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.366 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HD2' ' CZ2' ' A' ' 7' ' ' TRP . 8.9 mttp -82.38 -176.78 6.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.208 0.528 . . . . 1.0 111.603 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 16.2 t90 -62.62 132.33 51.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.542 -0.754 . . . . 1.0 111.336 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.8 ttm 75.16 9.19 3.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.866 -0.606 . . . . 1.0 112.105 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.446 ' CZ2' ' HD2' ' A' ' 4' ' ' LYS . 14.7 m0 -87.65 171.21 10.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.97 0.414 . . . . 1.0 110.987 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.62 152.71 42.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.463 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.22 107.86 3.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.551 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -63.86 -168.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.962 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -47.64 -28.32 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.042 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.42 48.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.468 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -69.55 148.45 49.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.896 0.379 . . . . 1.0 110.59 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.39 104.52 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.554 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.8 t -100.36 172.07 7.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.236 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 m -88.8 166.06 14.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -60.32 136.16 57.95 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.143 -0.481 . . . . 1.0 111.424 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.47 12.79 56.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.831 -0.7 . . . . 1.0 113.127 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 27' ' ' LYS . 64.1 mt -131.82 159.76 37.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.019 0.437 . . . . 1.0 111.211 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.5 HG23 ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -117.96 137.12 52.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.326 179.704 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 t -88.76 46.58 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.186 0.439 . . . . 1.0 112.186 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.408 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -94.81 79.8 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.107 -0.701 . . . . 1.0 109.107 178.403 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.895 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 79.93 -58.26 0.35 Allowed 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.159 -0.682 . . . . 1.0 109.159 -177.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.895 ' CH2' HD13 ' A' ' 23' ' ' LEU . 1.4 p90 -134.15 148.06 50.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.654 -0.703 . . . . 1.0 109.933 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.441 ' HB3' HD13 ' A' ' 19' ' ' LEU . 28.5 m -60.49 87.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.793 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HB3' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -83.99 143.32 29.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.92 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HA ' HD23 ' A' ' 19' ' ' LEU . 6.4 tttp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.186 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 120.948 0.404 . . . . 1.0 111.051 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.429 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 20.6 mm-40 -68.06 124.96 24.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.89 -0.596 . . . . 1.0 110.089 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.429 ' HB2' ' CE2' ' A' ' 7' ' ' TRP . 49.1 mttt -79.88 -175.58 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.336 0.589 . . . . 1.0 111.892 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.469 ' CD1' ' CB ' ' A' ' 27' ' ' LYS . 16.0 t90 -61.05 131.05 49.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.364 -0.835 . . . . 1.0 111.602 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.5 ttp 65.55 16.97 10.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.758 -0.655 . . . . 1.0 112.279 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.429 ' CE2' ' HB2' ' A' ' 4' ' ' LYS . 11.3 m0 -86.01 175.22 8.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.042 0.448 . . . . 1.0 110.874 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.25 147.28 48.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.452 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.0 104.23 3.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.611 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -60.21 -165.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.5 -28.21 1.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.048 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.86 49.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.771 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.43 146.24 52.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 1.0 110.558 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.69 107.45 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.209 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 15.0 t -103.32 167.72 9.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.396 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.9 m -77.65 172.61 13.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -65.16 152.02 44.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.345 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.89 16.66 76.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.971 -0.633 . . . . 1.0 112.979 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 27' ' ' LYS . 92.4 mt -128.19 157.11 41.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.917 0.389 . . . . 1.0 111.012 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 21.0 t -117.41 132.25 67.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.746 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.9 t -85.12 55.4 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 1.0 111.943 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.74 83.26 1.72 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.905 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 75.83 -62.86 0.42 Allowed 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 -177.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.905 ' CH2' HD13 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -128.09 144.92 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.569 -0.742 . . . . 1.0 109.632 178.213 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 28.3 m -61.11 93.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.93 0.395 . . . . 1.0 110.954 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -78.59 119.62 22.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 1.0 111.013 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.801 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.9 0.381 . . . . 1.0 111.028 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -78.98 132.91 36.84 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.419 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.484 ' C ' HD11 ' A' ' 19' ' ' LEU . 4.5 mttp -93.0 -175.7 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.049 0.452 . . . . 1.0 111.352 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.548 ' N ' HD11 ' A' ' 19' ' ' LEU . 21.4 t90 -60.06 139.4 57.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.794 -0.639 . . . . 1.0 111.165 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.447 ' CG ' ' CE3' ' A' ' 5' ' ' TRP . 3.3 mtm 82.9 -5.07 1.29 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.85 -0.614 . . . . 1.0 111.849 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -81.43 169.36 17.27 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.008 0.432 . . . . 1.0 110.819 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.38 151.63 43.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.909 -0.587 . . . . 1.0 111.227 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.22 99.59 1.94 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.66 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.73 -167.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.766 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.9 p -47.72 -27.9 2.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.823 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.89 59.14 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.375 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -164.29 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.715 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.59 65.26 0.67 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 111.899 0.333 . . . . 1.0 111.899 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.539 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.4 t -84.1 176.64 8.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 1.0 110.223 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.5 m -83.13 169.13 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.816 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.66 -15.41 62.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.693 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.62 22.99 36.0 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.643 -0.789 . . . . 1.0 112.146 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.548 HD11 ' N ' ' A' ' 5' ' ' TRP . 20.7 mt -142.3 166.37 24.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.997 0.427 . . . . 1.0 111.381 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.72 144.96 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.431 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.94 113.98 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.352 0.596 . . . . 1.0 111.863 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.47 76.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.099 -0.955 . . . . 1.0 109.065 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.712 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 79.07 -59.85 0.38 Allowed 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.152 -0.685 . . . . 1.0 109.152 -177.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.712 ' CE3' HD12 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -129.22 144.92 51.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.707 -0.679 . . . . 1.0 109.882 178.545 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.7 m -65.83 100.77 0.58 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.907 0.384 . . . . 1.0 111.008 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -90.03 139.81 30.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.787 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HA ' HD23 ' A' ' 19' ' ' LEU . 13.1 ttmt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 120.842 0.354 . . . . 1.0 111.05 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.408 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 72.6 mt-30 -70.45 139.43 51.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.286 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.451 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 4.0 mtpm? -90.59 178.6 6.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.49 0.662 . . . . 1.0 111.91 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.466 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 16.2 t90 -62.99 137.13 58.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.158 -0.928 . . . . 1.0 111.26 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 ttm 81.3 -6.34 1.56 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.69 -0.686 . . . . 1.0 112.41 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.451 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 19.2 m0 -77.54 163.93 25.84 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.444 -0.502 . . . . 1.0 110.727 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.27 170.44 14.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.497 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 t -136.43 100.22 4.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.15 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -167.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.807 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -46.8 -29.11 1.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.978 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.88 46.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.229 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 119.78 14.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.674 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -65.24 116.06 6.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.499 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 0.8 OUTLIER -96.95 -179.21 4.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.127 179.175 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.9 m -93.26 169.69 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.972 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.95 143.38 43.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.436 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.44 -8.85 79.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.846 -0.692 . . . . 1.0 113.022 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.561 HD23 ' HA ' ' A' ' 27' ' ' LYS . 59.2 mt -115.29 152.64 32.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.052 0.453 . . . . 1.0 111.386 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -115.46 136.58 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.325 179.564 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -87.33 53.04 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 1.0 111.909 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.3 84.37 2.32 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.2 -0.667 . . . . 1.0 109.2 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.82 -59.58 0.44 Allowed 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -135.19 143.68 46.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.629 -0.714 . . . . 1.0 109.908 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.8 m -57.68 89.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.973 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -90.56 134.36 34.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.913 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.204 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.521 -0.155 0 CA-C-O 120.99 0.424 . . . . 1.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.451 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -73.7 138.11 44.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.239 179.368 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.418 ' O ' ' CD1' ' A' ' 7' ' ' TRP . 4.3 mtmp? -99.41 -178.58 3.95 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.383 0.611 . . . . 1.0 111.702 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.468 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 18.4 t90 -59.85 139.92 56.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.127 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.464 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 88.03 -11.66 0.48 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.752 -0.658 . . . . 1.0 112.037 179.5 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.418 ' CD1' ' O ' ' A' ' 4' ' ' LYS . 10.7 m95 -78.48 159.32 28.3 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.209 0.528 . . . . 1.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.88 164.0 27.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.654 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 t -133.21 98.15 4.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.157 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -166.92 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.754 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.8 p -47.07 -28.51 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.978 -0.556 . . . . 1.0 111.002 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.13 57.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.255 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.57 123.68 21.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.697 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 89.07 0.36 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.585 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.469 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.6 t -89.22 175.66 7.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.134 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.6 m -80.47 169.81 17.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.771 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.58 -15.53 62.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.746 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.91 21.88 42.52 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.502 -0.856 . . . . 1.0 112.106 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.469 HD13 ' SG ' ' A' ' 15' ' ' CYS . 23.5 mt -143.34 163.43 33.04 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.063 0.458 . . . . 1.0 111.465 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -119.62 135.79 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.258 179.51 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -87.13 56.78 4.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 1.0 111.907 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -107.17 84.27 1.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.169 -0.678 . . . . 1.0 109.169 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.965 HD23 ' CH2' ' A' ' 24' ' ' TRP . 1.6 tp 76.73 -61.16 0.45 Allowed 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.046 -0.724 . . . . 1.0 109.046 -177.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.965 ' CH2' HD23 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -133.12 144.21 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.601 -0.727 . . . . 1.0 109.78 178.289 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.0 m -57.78 94.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.4 ' HB2' HG23 ' A' ' 20' ' ' VAL . 1.8 mmtp -94.31 143.1 26.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 9.6 tttm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.298 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 120.929 0.395 . . . . 1.0 111.043 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -86.27 141.77 29.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.643 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -95.51 -175.72 3.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.381 0.61 . . . . 1.0 112.0 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.54 ' HB2' HD21 ' A' ' 19' ' ' LEU . 17.9 t90 -55.56 143.18 30.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.329 -0.85 . . . . 1.0 111.354 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.428 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 84.19 -11.98 0.81 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.81 -0.632 . . . . 1.0 112.199 179.392 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -77.26 168.06 20.68 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.829 0.347 . . . . 1.0 110.683 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.32 171.32 11.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -161.11 104.95 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.997 0.427 . . . . 1.0 111.116 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -70.07 -165.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.589 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 m -46.28 -28.65 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.056 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.26 59.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.542 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -69.71 162.92 26.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.803 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 95.79 10.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.779 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.36 177.13 5.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.22 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.1 m -98.65 171.95 7.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.911 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -58.29 147.36 31.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.261 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.94 -4.63 82.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.852 -0.689 . . . . 1.0 113.004 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' A' ' 5' ' ' TRP . 53.7 mt -116.31 152.03 34.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.991 0.424 . . . . 1.0 111.167 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 t -120.82 151.03 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.774 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 t -97.58 116.82 30.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.388 0.613 . . . . 1.0 111.846 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -170.28 77.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.034 -0.985 . . . . 1.0 108.689 179.548 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.418 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.2 mt 80.93 -57.31 0.3 Allowed 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.729 -0.841 . . . . 1.0 108.729 -177.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -136.74 148.71 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.877 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.8 m -62.75 92.57 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.883 0.373 . . . . 1.0 110.447 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -71.83 164.42 26.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.949 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 tttp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.133 -179.75 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.889 0.376 . . . . 1.0 111.054 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -71.63 150.17 44.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.427 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.447 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 9.7 mtpp -98.57 -178.92 4.15 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.29 0.567 . . . . 1.0 111.664 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.542 ' HD1' HD22 ' A' ' 19' ' ' LEU . 27.5 t90 -63.72 135.13 56.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.408 -0.814 . . . . 1.0 111.416 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.447 ' HG3' ' CE3' ' A' ' 5' ' ' TRP . 2.3 mtm 76.48 2.16 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 1.0 112.266 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.447 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 19.6 m0 -81.47 166.82 20.0 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.185 0.517 . . . . 1.0 111.242 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.03 164.3 26.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.404 -0.816 . . . . 1.0 111.906 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.4 t -154.77 122.43 5.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.125 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.47 -167.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.811 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -47.16 -28.01 1.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.843 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.03 60.3 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.423 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -68.88 -163.45 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.689 0.28 . . . . 1.0 110.531 179.736 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.93 101.43 4.58 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.86 0.362 . . . . 1.0 111.28 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -93.73 179.87 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.494 179.506 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.5 m -90.62 169.74 10.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.589 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -55.93 145.56 24.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.964 0.411 . . . . 1.0 111.228 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.36 -21.23 36.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.87 -0.681 . . . . 1.0 112.972 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.542 HD22 ' HD1' ' A' ' 5' ' ' TRP . 15.3 mt -107.72 153.09 23.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.075 0.464 . . . . 1.0 111.364 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.937 HG12 ' O ' ' A' ' 26' ' ' LYS . 10.9 p -110.98 133.73 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.168 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -93.42 56.41 2.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 1.0 112.05 -178.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -103.75 74.39 1.23 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 178.575 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.7 tp 86.5 -37.72 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.519 -178.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.449 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -138.11 -170.92 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.423 -0.808 . . . . 1.0 109.781 178.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.1 m -110.54 76.79 1.0 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.937 ' O ' HG12 ' A' ' 20' ' ' VAL . 18.5 mmtt -93.04 128.22 38.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.869 -0.605 . . . . 1.0 111.546 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 7.1 tttm . . . . . 0 N--CA 1.452 -0.36 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.758 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.983 0.42 . . . . 1.0 111.083 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 8' ' ' THR . 4.5 pt20 -85.44 141.16 30.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.249 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 15.9 mtmt -87.16 -178.9 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.393 0.616 . . . . 1.0 111.922 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.467 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 57.0 t90 -58.59 141.25 52.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.298 -0.865 . . . . 1.0 111.592 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.0 mtp 75.69 -1.93 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.0 0.741 . . . . 1.0 113.0 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.408 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 31.3 m95 -78.29 165.25 24.09 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 120.209 -0.596 . . . . 1.0 110.924 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.449 ' O ' ' NE2' ' A' ' 3' ' ' GLN . 2.8 p -72.26 143.99 48.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.373 -0.83 . . . . 1.0 111.713 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 t -119.8 100.0 6.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.565 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -64.72 -166.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.9 p -47.06 -28.64 1.78 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.252 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.07 48.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.647 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HB3' ' OE1' ' A' ' 3' ' ' GLN . 2.4 mmp_? -71.19 120.91 17.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.703 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -64.52 122.72 17.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.978 0.418 . . . . 1.0 111.424 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' HA ' ' HG3' ' A' ' 3' ' ' GLN . 9.9 t -102.85 167.44 9.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.426 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.6 m -82.95 171.5 13.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.01 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.43 157.15 9.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.484 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.17 15.65 65.67 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.861 -0.608 . . . . 1.0 112.961 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.814 HD23 ' HA ' ' A' ' 27' ' ' LYS . 96.0 mt -132.52 159.1 40.41 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.953 0.406 . . . . 1.0 111.224 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.9 t -127.39 137.56 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.856 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.64 110.76 20.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.247 0.546 . . . . 1.0 111.632 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.25 81.26 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.262 -0.881 . . . . 1.0 109.079 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 77.25 -59.39 0.47 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.837 -0.801 . . . . 1.0 108.837 -177.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.407 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 0.4 OUTLIER -134.47 145.04 48.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.496 -0.775 . . . . 1.0 109.643 178.229 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.416 ' SG ' ' NE2' ' A' ' 3' ' ' GLN . 8.2 m -65.14 93.16 0.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.946 0.403 . . . . 1.0 110.947 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.96 118.12 12.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.815 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.814 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.463 0.211 0 CA-C-O 121.055 0.455 . . . . 1.0 111.333 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.46 144.41 53.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.714 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp -93.56 -176.73 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.219 0.533 . . . . 1.0 111.581 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.425 ' CE2' ' HG3' ' A' ' 6' ' ' MET . 36.1 t90 -62.23 137.37 58.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.656 -0.702 . . . . 1.0 111.316 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.425 ' HG3' ' CE2' ' A' ' 5' ' ' TRP . 80.5 mtp 67.36 9.23 6.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.693 -0.685 . . . . 1.0 112.41 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -82.39 173.42 12.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.002 0.429 . . . . 1.0 110.989 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.43 159.52 34.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.639 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.97 116.72 2.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.452 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.42 -169.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 t -47.69 -27.98 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.778 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.26 58.43 0.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.284 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -164.74 0.05 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.58 -0.282 . . . . 1.0 110.502 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.16 92.22 3.34 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.849 0.356 . . . . 1.0 111.43 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' SG ' HD12 ' A' ' 19' ' ' LEU . 1.7 t -91.95 176.98 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.394 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.8 m -88.92 168.85 12.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.513 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.58 145.65 38.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.942 0.401 . . . . 1.0 111.195 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.37 -15.3 58.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.869 -0.682 . . . . 1.0 113.16 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.478 HD12 ' SG ' ' A' ' 15' ' ' CYS . 49.2 mt -107.08 150.9 26.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.151 0.5 . . . . 1.0 111.44 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 26' ' ' LYS . 27.3 t -105.34 128.61 59.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.401 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.3 t -91.74 54.4 2.45 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.217 0.451 . . . . 1.0 112.217 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.43 78.09 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 178.542 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER 84.66 -44.51 0.08 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 -177.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.452 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -132.31 -171.89 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.253 178.619 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.3 m -107.92 73.17 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.053 0.454 . . . . 1.0 109.811 178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.543 ' O ' HG23 ' A' ' 20' ' ' VAL . 11.0 mmtm -94.48 125.99 39.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.85 -0.613 . . . . 1.0 111.348 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.145 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 CA--C 1.521 -0.151 0 CA-C-O 120.926 0.393 . . . . 1.0 111.067 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.424 ' OE1' ' HB3' ' A' ' 7' ' ' TRP . 8.7 mt-30 -76.48 147.16 38.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.187 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 7' ' ' TRP . 13.4 mttt -104.04 -179.55 3.98 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.573 0.701 . . . . 1.0 112.195 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.475 ' N ' HD11 ' A' ' 19' ' ' LEU . 16.0 t90 -59.18 142.45 51.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.111 -0.95 . . . . 1.0 111.215 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.443 ' HG3' ' CD2' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 85.8 -13.42 0.6 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.718 -0.674 . . . . 1.0 112.22 179.399 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.424 ' HB3' ' OE1' ' A' ' 3' ' ' GLN . 14.9 m95 -70.01 168.43 15.45 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 120.469 -0.492 . . . . 1.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.08 164.13 26.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.997 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.3 t -131.16 92.46 3.2 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.123 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -71.11 -173.91 0.9 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.788 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 p -51.38 -26.64 8.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.642 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.2 56.05 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.028 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -68.95 147.85 51.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.66 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.27 103.61 15.63 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.448 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -104.86 178.16 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.167 179.276 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.5 m -78.2 171.5 14.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.526 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.5 -13.72 62.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.857 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.26 23.03 37.86 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.516 -0.85 . . . . 1.0 112.048 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 27' ' ' LYS . 36.9 mt -146.02 164.17 32.92 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.003 0.43 . . . . 1.0 111.569 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.92 166.6 27.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.515 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.49 116.85 33.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.32 0.581 . . . . 1.0 111.824 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.55 81.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.216 -0.902 . . . . 1.0 108.875 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.996 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.6 OUTLIER 76.75 -60.84 0.46 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.607 -0.886 . . . . 1.0 108.607 -177.489 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.996 ' CH2' HD13 ' A' ' 23' ' ' LEU . 1.2 p90 -137.14 147.79 46.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.533 -0.758 . . . . 1.0 109.687 177.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.401 ' HB3' HD13 ' A' ' 19' ' ' LEU . 4.5 m -51.36 96.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.887 0.375 . . . . 1.0 110.616 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 138.64 32.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.206 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HA ' HD23 ' A' ' 19' ' ' LEU . 1.1 ttpm? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.536 . . . . 1.0 111.18 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.994 0.426 . . . . 1.0 111.138 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -71.21 146.1 49.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.414 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.451 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 2.2 mtpm? -94.76 -179.45 4.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.451 0.644 . . . . 1.0 111.858 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.489 ' HD1' HD22 ' A' ' 19' ' ' LEU . 27.7 t90 -64.58 133.89 53.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.329 -0.85 . . . . 1.0 111.503 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.444 ' HG3' ' CE3' ' A' ' 5' ' ' TRP . 0.8 OUTLIER 76.2 1.73 3.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.766 -0.652 . . . . 1.0 112.295 179.171 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.451 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 17.3 m0 -81.9 166.36 19.98 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.209 0.528 . . . . 1.0 111.054 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.91 162.05 30.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.466 -0.788 . . . . 1.0 111.484 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.412 ' HA ' ' HB3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -138.61 100.24 4.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.481 179.175 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -57.61 -167.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.994 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.39 -29.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.959 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.07 45.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.342 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HB3' ' HA ' ' A' ' 9' ' ' CYS . 8.1 tpm_? -70.39 103.72 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.506 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 121.02 9.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.652 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.488 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -97.44 178.86 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.163 179.164 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -87.78 169.99 11.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.76 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.21 131.2 48.63 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.449 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.98 -7.89 53.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 1.0 113.233 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.489 HD22 ' HD1' ' A' ' 5' ' ' TRP . 47.9 mt -114.55 151.33 33.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.12 0.486 . . . . 1.0 111.496 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 26' ' ' LYS . 20.5 t -105.63 127.96 60.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.613 -0.722 . . . . 1.0 110.294 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.2 t -90.82 45.57 1.26 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.2 0.444 . . . . 1.0 112.2 -178.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -90.88 73.81 6.52 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 178.544 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER 87.23 -44.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.796 -0.638 . . . . 1.0 109.336 -177.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.451 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -129.54 -169.81 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.369 -0.832 . . . . 1.0 109.243 178.65 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.2 m -111.27 73.81 0.84 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.996 0.427 . . . . 1.0 109.993 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 10.6 mmtp -94.1 128.05 40.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.151 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.017 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.011 0.434 . . . . 1.0 111.083 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.445 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 13.6 pt20 -86.31 147.54 26.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.445 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -84.99 178.74 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 1.0 112.191 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.563 ' HB2' HD21 ' A' ' 19' ' ' LEU . 66.7 t90 -58.19 145.45 37.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.964 -1.016 . . . . 1.0 111.375 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' A' ' 5' ' ' TRP . 2.2 mmm 71.35 0.75 3.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.477 -0.783 . . . . 1.0 112.883 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -76.82 166.56 23.19 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 120.159 -0.616 . . . . 1.0 110.815 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p -71.88 145.73 48.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.59 -0.732 . . . . 1.0 111.51 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.75 106.81 9.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.803 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.62 -166.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.746 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -46.71 -28.52 1.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.014 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.67 55.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.464 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -69.67 164.96 22.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.533 -0.303 . . . . 1.0 110.642 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.53 110.34 22.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.003 0.43 . . . . 1.0 111.843 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' HA ' ' HG3' ' A' ' 3' ' ' GLN . 13.6 t -102.08 167.14 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.119 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.56 171.99 14.33 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.043 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.53 159.85 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.375 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.49 11.46 62.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.981 -0.628 . . . . 1.0 112.973 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 5' ' ' TRP . 68.0 mt -129.19 157.14 42.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.913 0.387 . . . . 1.0 111.11 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 20.9 t -120.04 149.4 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.3 t -92.41 42.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.008 0.373 . . . . 1.0 112.008 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.38 79.83 4.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.86 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 4.3 tp 77.83 -59.14 0.45 Allowed 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.86 ' CZ3' HD23 ' A' ' 23' ' ' LEU . 2.4 p90 -132.58 154.4 50.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.658 -0.701 . . . . 1.0 109.807 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 47.7 m -59.63 88.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.935 0.398 . . . . 1.0 110.865 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.07 122.16 26.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.995 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 10.7 tttp . . . . . 0 N--CA 1.452 -0.353 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.645 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.967 0.413 . . . . 1.0 111.327 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -74.91 139.05 42.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.457 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.424 ' HE3' ' CZ2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -99.29 -179.24 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.271 0.558 . . . . 1.0 111.518 -179.619 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.466 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 28.5 t90 -62.61 137.7 58.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.522 -0.763 . . . . 1.0 111.235 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.442 ' CG ' ' CE3' ' A' ' 5' ' ' TRP . 3.3 mtp 86.04 -11.85 0.65 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.792 -0.64 . . . . 1.0 112.005 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.424 ' CZ2' ' HE3' ' A' ' 4' ' ' LYS . 31.0 m95 -80.95 162.19 23.98 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.141 0.496 . . . . 1.0 111.061 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.02 170.26 14.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.511 -0.768 . . . . 1.0 111.498 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.78 111.19 3.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.39 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -60.46 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.1 -28.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.889 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.75 49.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.332 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -69.34 150.64 47.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.866 0.365 . . . . 1.0 110.563 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -79.75 117.84 21.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.216 0.531 . . . . 1.0 112.085 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' SG ' HD12 ' A' ' 19' ' ' LEU . 1.6 t -110.79 -179.23 3.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.557 -0.747 . . . . 1.0 110.06 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.8 m -95.65 168.06 10.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.803 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -59.14 132.37 53.82 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.348 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.98 -9.16 58.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 1.0 113.082 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD12 ' SG ' ' A' ' 15' ' ' CYS . 63.7 mt -113.35 152.77 29.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.978 0.418 . . . . 1.0 111.28 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -113.6 140.95 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.426 179.723 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.8 t -89.7 46.37 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.048 0.388 . . . . 1.0 112.048 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.83 83.7 3.75 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.373 -0.602 . . . . 1.0 109.373 178.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.37 -60.51 0.44 Allowed 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.407 -0.59 . . . . 1.0 109.407 -178.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -132.92 145.58 51.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.711 -0.677 . . . . 1.0 109.929 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 8.3 m -59.65 95.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.917 0.389 . . . . 1.0 110.82 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.501 ' O ' HG22 ' A' ' 20' ' ' VAL . 1.8 tptm -102.86 145.27 30.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.003 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 4.4 tttp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.344 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.98 0.419 . . . . 1.0 110.969 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -70.87 142.6 51.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.297 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.423 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 5.4 mtpt -99.24 179.22 4.66 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.433 0.635 . . . . 1.0 111.939 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.473 ' O ' ' CB ' ' A' ' 6' ' ' MET . 15.1 t90 -62.37 135.81 57.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.196 -0.911 . . . . 1.0 111.207 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.473 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 1.1 tmm? 87.57 -13.26 0.47 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.745 -0.661 . . . . 1.0 112.246 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.423 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 24.1 m95 -78.99 161.62 26.51 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.501 -0.48 . . . . 1.0 110.864 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.15 -178.43 2.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.656 -0.702 . . . . 1.0 111.39 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -152.89 103.59 2.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.432 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.25 -167.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.011 -0.54 . . . . 1.0 111.042 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.5 p -46.41 -29.04 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.08 45.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.413 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -69.89 120.59 15.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.447 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -63.53 124.11 20.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.133 0.492 . . . . 1.0 111.834 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -107.44 -178.09 3.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.801 -0.636 . . . . 1.0 109.973 179.033 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.0 m -95.04 168.62 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -57.98 137.92 56.37 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.484 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.59 -6.57 67.88 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.807 -0.711 . . . . 1.0 113.159 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.43 HD21 ' HB2' ' A' ' 5' ' ' TRP . 55.8 mt -116.18 152.27 34.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.05 0.453 . . . . 1.0 111.407 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.64 HG12 ' HD3' ' A' ' 22' ' ' ARG . 19.7 t -112.52 139.4 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.436 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.7 t -89.79 44.52 1.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.122 0.416 . . . . 1.0 112.122 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.64 ' HD3' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -92.14 81.13 5.03 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 178.533 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 78.84 -59.07 0.41 Allowed 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 -178.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -133.68 144.81 49.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.997 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 30.4 m -57.99 89.47 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.95 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -85.99 145.22 27.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.94 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 12.2 tttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.936 0.398 . . . . 1.0 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 8' ' ' THR . 13.4 mt-30 -72.93 143.08 47.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.714 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.435 ' HZ3' ' HE1' ' A' ' 7' ' ' TRP . 31.0 mtmm -102.87 -178.82 3.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.158 0.504 . . . . 1.0 111.558 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.519 ' O ' ' CB ' ' A' ' 6' ' ' MET . 7.9 t90 -69.17 89.42 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.994 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.519 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 149.0 -24.73 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 O-C-N 123.547 0.529 . . . . 1.0 111.419 179.4 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.435 ' HE1' ' HZ3' ' A' ' 4' ' ' LYS . 32.8 m95 -69.47 170.52 10.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.054 0.454 . . . . 1.0 111.408 -179.003 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.467 ' O ' ' NE2' ' A' ' 3' ' ' GLN . 0.7 OUTLIER -72.09 -176.19 1.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.594 -0.73 . . . . 1.0 111.299 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -150.61 97.15 2.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.338 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -70.26 -169.19 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.759 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.1 t -47.9 -28.68 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.035 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.43 55.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -69.79 144.38 52.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.816 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.41 108.99 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.465 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.462 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -102.59 179.72 4.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.45 179.477 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.0 m -95.71 167.75 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.487 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -57.89 145.55 35.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.926 0.393 . . . . 1.0 111.127 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.03 -11.0 66.21 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.856 -0.688 . . . . 1.0 113.167 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 5' ' ' TRP . 51.2 mt -105.68 150.72 25.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.128 0.489 . . . . 1.0 111.31 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -119.14 150.05 21.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.803 -179.815 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.48 113.81 25.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.316 0.579 . . . . 1.0 111.62 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.33 86.67 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.22 -0.9 . . . . 1.0 108.919 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.78 -59.33 0.45 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.804 -0.813 . . . . 1.0 108.804 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -143.28 144.04 31.96 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.513 -0.767 . . . . 1.0 109.772 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 7' ' ' TRP . 4.5 m -55.5 98.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.91 0.386 . . . . 1.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HB2' HG23 ' A' ' 20' ' ' VAL . 4.4 mmtm -81.65 165.49 21.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.713 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 9.6 tttm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 1.0 111.457 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.918 0.39 . . . . 1.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.58 144.05 46.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.727 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.427 ' HA ' HD11 ' A' ' 19' ' ' LEU . 12.1 mttp -103.98 177.79 4.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.351 0.596 . . . . 1.0 111.842 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.508 ' O ' ' CB ' ' A' ' 6' ' ' MET . 7.5 t90 -66.89 89.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.2 -0.909 . . . . 1.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.508 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 152.55 -31.89 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.435 0.46 . . . . 1.0 111.166 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.413 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 28.8 m95 -75.44 160.22 30.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.052 0.454 . . . . 1.0 111.331 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.19 -175.86 1.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.66 111.06 3.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.679 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.37 -168.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.728 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.9 t -47.04 -28.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.979 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.23 52.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.271 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -69.54 150.05 47.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.718 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -80.77 117.06 21.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.278 0.561 . . . . 1.0 112.037 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.539 ' SG ' HD12 ' A' ' 19' ' ' LEU . 1.6 t -111.99 177.5 4.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.419 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.2 m -94.22 166.91 11.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.336 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -57.42 145.43 32.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.014 0.435 . . . . 1.0 111.177 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.62 -7.86 77.64 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.862 -0.685 . . . . 1.0 113.289 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.539 HD12 ' SG ' ' A' ' 15' ' ' CYS . 44.1 mt -107.87 150.68 26.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.16 0.505 . . . . 1.0 111.402 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 20.7 t -113.0 141.8 27.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.932 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -90.6 39.72 0.99 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.867 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.38 84.95 6.46 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.943 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 78.09 -58.05 0.46 Allowed 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.423 -0.584 . . . . 1.0 109.423 -178.263 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.943 ' CH2' HD13 ' A' ' 23' ' ' LEU . 2.6 p90 -138.85 151.78 47.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.827 -0.624 . . . . 1.0 109.998 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 17.8 m -60.17 89.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 1.0 110.723 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -84.14 170.47 13.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.657 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 15.9 tttt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.136 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.852 0.358 . . . . 1.0 111.042 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.416 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 14.5 mm-40 -71.96 145.24 48.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.563 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.412 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 4.2 mtpm? -105.18 -179.49 3.96 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.369 0.604 . . . . 1.0 111.508 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.467 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 21.3 t90 -62.22 137.69 58.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.479 -0.782 . . . . 1.0 111.16 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.448 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 1.2 mtp 87.38 -12.92 0.49 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.748 -0.66 . . . . 1.0 112.096 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.412 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 22.1 m95 -81.75 159.43 23.86 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.256 0.55 . . . . 1.0 111.233 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.19 -178.47 2.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.328 -0.851 . . . . 1.0 111.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.28 110.92 3.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.667 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.83 -168.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.766 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.6 p -47.13 -28.52 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.001 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.24 49.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.264 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HG2' ' HG3' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -69.61 133.35 47.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.853 0.358 . . . . 1.0 110.714 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -73.96 121.84 21.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.113 0.482 . . . . 1.0 111.753 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' SG ' HD12 ' A' ' 19' ' ' LEU . 1.3 t -106.37 179.45 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.183 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.9 m -92.77 169.31 10.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.717 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -60.16 133.0 55.67 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.364 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.98 -13.93 57.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 1.0 113.0 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.415 HD12 ' SG ' ' A' ' 15' ' ' CYS . 44.2 mt -110.48 151.27 27.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.047 0.451 . . . . 1.0 111.367 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -111.72 136.14 48.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.649 . . . . 1.0 110.064 179.308 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.0 t -90.39 46.29 1.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.505 . . . . 1.0 112.084 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -89.67 70.39 7.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 178.715 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 3.1 tp 86.7 -39.41 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.637 -0.71 . . . . 1.0 109.457 -178.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.456 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.23 -168.89 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.397 -0.82 . . . . 1.0 109.494 178.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.05 81.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.105 -0.702 . . . . 1.0 109.105 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.65 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.9 mmtp -96.16 142.46 28.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.885 -0.598 . . . . 1.0 111.671 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 3.1 tttp . . . . . 0 N--CA 1.453 -0.312 0 CA-C-N 116.079 -0.51 . . . . 1.0 111.098 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 120.92 0.391 . . . . 1.0 111.075 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -75.71 149.14 38.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.337 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.449 ' CE ' ' CZ2' ' A' ' 7' ' ' TRP . 26.8 mtmt -99.41 179.27 4.62 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.365 0.602 . . . . 1.0 111.772 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.626 ' HD1' HD22 ' A' ' 19' ' ' LEU . 24.0 t90 -63.74 134.9 56.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.334 -0.848 . . . . 1.0 111.431 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.434 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 3.1 mtp 85.15 -8.28 0.87 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.691 -0.686 . . . . 1.0 112.37 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.449 ' CZ2' ' CE ' ' A' ' 4' ' ' LYS . 22.9 m95 -82.44 160.81 22.64 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 121.36 0.6 . . . . 1.0 111.239 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 p -72.36 179.32 3.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.204 -0.907 . . . . 1.0 111.492 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.8 99.05 3.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.269 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -56.88 -167.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.152 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -46.32 -28.95 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.66 44.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.507 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -76.57 89.21 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.376 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -53.91 128.63 30.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.647 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -94.21 -178.45 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.112 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -90.2 169.75 10.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.727 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.98 133.65 56.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.399 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.38 -14.06 56.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 1.0 113.033 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.626 HD22 ' HD1' ' A' ' 5' ' ' TRP . 26.0 mt -114.0 152.8 30.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.163 0.506 . . . . 1.0 111.588 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.2 t -105.34 129.05 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.362 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 t -91.33 44.93 1.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.982 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -90.44 75.16 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 178.783 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 2.9 tp 86.21 -44.74 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.423 -178.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.455 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -130.62 -170.03 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.368 -0.833 . . . . 1.0 109.3 178.674 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.8 m -110.2 75.33 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 11.4 mmtp -95.92 122.51 38.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.282 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 tttt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 1.0 111.147 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 120.931 0.396 . . . . 1.0 111.028 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.405 ' HG2' ' HG3' ' A' ' 13' ' ' ARG . 31.0 mm-40 -67.92 147.57 52.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.199 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.448 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 3.0 mtpm? -95.77 -179.41 4.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.386 0.612 . . . . 1.0 111.918 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.482 ' HD1' HD22 ' A' ' 19' ' ' LEU . 28.4 t90 -64.28 133.26 52.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.265 -0.879 . . . . 1.0 111.482 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.449 ' HG3' ' CE3' ' A' ' 5' ' ' TRP . 3.3 mtm 76.81 1.69 3.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.809 -0.632 . . . . 1.0 112.332 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.448 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 17.0 m0 -81.73 166.42 20.09 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.186 0.517 . . . . 1.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.97 159.68 33.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.509 -0.768 . . . . 1.0 111.862 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.5 t -133.1 96.14 3.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.064 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.91 -168.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.101 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 p -46.82 -29.27 1.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.47 44.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.398 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HG3' ' HG2' ' A' ' 3' ' ' GLN . 2.4 tpm_? -74.97 93.46 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.421 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 127.11 21.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.198 0.523 . . . . 1.0 111.567 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -101.97 178.84 4.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.196 179.374 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.9 m -88.23 169.25 12.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.404 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.38 150.87 21.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.005 0.431 . . . . 1.0 111.279 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.12 -7.14 68.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.949 -0.643 . . . . 1.0 113.401 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.482 HD22 ' HD1' ' A' ' 5' ' ' TRP . 43.4 mt -113.15 150.61 31.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.15 0.5 . . . . 1.0 111.554 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 24' ' ' TRP . 25.6 t -108.53 128.54 64.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.258 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.34 46.38 1.34 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.289 0.477 . . . . 1.0 112.289 -178.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -92.65 73.56 5.04 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 178.533 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.47 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.2 tt 87.4 -41.01 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.859 -0.609 . . . . 1.0 109.486 -178.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.455 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.86 -169.53 2.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.299 -0.864 . . . . 1.0 109.204 178.765 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.4 m -109.5 69.31 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.034 0.445 . . . . 1.0 109.857 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 12.3 mmtt -87.15 124.36 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.822 -0.626 . . . . 1.0 111.245 -179.24 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 2.7 tttm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.911 0.386 . . . . 1.0 111.055 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 8' ' ' THR . 49.5 mt-30 -75.62 149.21 38.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.615 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -103.31 179.59 4.23 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.427 0.632 . . . . 1.0 111.693 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.518 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 30.8 t90 -62.09 137.73 58.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.339 -0.846 . . . . 1.0 111.214 -179.866 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.455 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 1.1 mtm 86.8 -12.06 0.57 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.794 -0.639 . . . . 1.0 112.282 179.374 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -76.81 158.87 30.55 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.34 -0.544 . . . . 1.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.464 ' O ' ' NE2' ' A' ' 3' ' ' GLN . 0.9 OUTLIER -72.86 167.19 21.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.483 -0.781 . . . . 1.0 111.585 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.4 t -127.21 97.81 5.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.095 0.474 . . . . 1.0 110.146 178.864 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.85 -168.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.102 -179.719 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 t -47.83 -29.05 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.093 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.03 45.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.447 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.414 ' HD3' ' HG3' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -77.8 99.2 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.491 179.615 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 131.09 49.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.247 0.546 . . . . 1.0 111.793 -179.316 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.582 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -101.41 -176.2 3.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.001 179.137 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.0 m -93.07 171.35 9.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.879 0.371 . . . . 1.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.16 136.49 57.26 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.36 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.88 -15.46 61.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 1.0 113.02 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.582 HD12 ' SG ' ' A' ' 15' ' ' CYS . 14.0 mt -110.56 156.93 20.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.088 0.47 . . . . 1.0 111.408 -179.68 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -119.46 140.9 41.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.438 179.615 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.7 49.17 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 1.0 111.803 -179.407 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -98.1 80.66 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 178.589 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.98 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 78.58 -58.18 0.44 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.371 -0.604 . . . . 1.0 109.371 -178.084 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.98 ' CH2' HD13 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -132.8 144.19 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.769 -0.651 . . . . 1.0 110.126 178.652 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.2 m -59.18 89.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.734 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' O ' HG22 ' A' ' 20' ' ' VAL . 15.8 tptt -91.36 124.8 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.064 -179.759 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 4.7 ttmm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.462 0.14 0 CA-C-O 120.978 0.418 . . . . 1.0 111.413 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -72.19 139.94 48.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.58 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -99.56 178.17 4.94 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.293 0.568 . . . . 1.0 111.817 -179.413 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.543 ' O ' ' CB ' ' A' ' 6' ' ' MET . 11.7 t90 -70.14 95.57 0.99 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.341 -0.845 . . . . 1.0 110.933 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.543 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 14.5 mtp 143.63 -26.73 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.888 0.742 . . . . 1.0 110.93 179.614 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -75.29 161.38 29.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.04 0.448 . . . . 1.0 111.16 -179.481 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.27 -178.1 1.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.168 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -156.86 110.28 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.71 179.519 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.13 -166.88 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.785 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.3 p -46.99 -28.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.98 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.32 55.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.372 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -69.45 147.31 51.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.826 0.346 . . . . 1.0 110.522 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.4 105.98 11.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.706 -179.302 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.561 ' SG ' HD22 ' A' ' 19' ' ' LEU . 1.4 t -102.17 177.38 4.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.219 179.002 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 61.3 m -87.9 171.45 10.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.446 179.589 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -67.33 126.39 29.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.907 0.384 . . . . 1.0 111.238 -179.449 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.41 -0.07 40.34 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.767 -0.73 . . . . 1.0 113.118 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.561 HD22 ' SG ' ' A' ' 15' ' ' CYS . 3.2 mp -114.82 150.15 35.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.043 0.449 . . . . 1.0 111.286 -179.731 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.38 145.37 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.771 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 t -93.36 43.35 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.639 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.49 83.55 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.515 -0.55 . . . . 1.0 109.515 178.84 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.993 HD23 ' CH2' ' A' ' 24' ' ' TRP . 2.5 tp 77.96 -58.6 0.46 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.483 -0.562 . . . . 1.0 109.483 -178.451 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.993 ' CH2' HD23 ' A' ' 23' ' ' LEU . 1.3 p90 -137.41 150.1 47.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.027 178.726 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.9 m -57.75 93.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.904 0.383 . . . . 1.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.27 166.95 13.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.705 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.415 -179.661 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.521 -0.156 0 CA-C-O 120.989 0.423 . . . . 1.0 111.057 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.434 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 14.1 mt-30 -74.96 138.92 42.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.105 179.276 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.426 ' HE2' ' CZ2' ' A' ' 7' ' ' TRP . 13.1 mtmm -97.06 -178.09 4.08 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.185 0.516 . . . . 1.0 111.548 -179.352 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.451 ' CE3' ' CG ' ' A' ' 6' ' ' MET . 20.2 t90 -59.09 138.26 57.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.533 -0.758 . . . . 1.0 111.608 -179.307 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.451 ' CG ' ' CE3' ' A' ' 5' ' ' TRP . 0.9 OUTLIER 85.33 -9.2 0.82 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.66 -0.7 . . . . 1.0 112.272 179.203 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.426 ' CZ2' ' HE2' ' A' ' 4' ' ' LYS . 17.5 m95 -77.31 162.39 27.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.28 0.562 . . . . 1.0 111.094 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.39 177.01 4.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.308 -0.86 . . . . 1.0 111.641 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 t -165.25 111.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.184 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.2 -167.81 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.609 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.7 p -46.54 -28.57 1.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.763 179.696 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.9 60.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.121 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -165.66 0.08 Allowed 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.605 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.54 96.3 4.92 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 -179.386 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 1.8 t -103.06 174.46 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.039 178.795 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.2 m -78.04 168.99 19.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.55 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -13.4 62.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.841 -179.298 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.86 21.49 45.82 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.511 -0.852 . . . . 1.0 112.136 179.607 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 5' ' ' TRP . 33.8 mt -142.69 161.35 38.31 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.127 0.489 . . . . 1.0 111.708 -179.333 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 26' ' ' LYS . 21.4 t -108.19 122.65 62.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.26 179.422 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.03 69.06 5.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.977 0.418 . . . . 1.0 112.086 -179.014 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.479 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -118.19 74.81 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.861 -0.792 . . . . 1.0 108.861 178.403 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER 87.72 -39.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 -177.595 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.452 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -138.54 -171.93 3.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.286 -0.87 . . . . 1.0 109.553 178.85 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.8 m -108.31 75.85 1.0 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 178.602 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 20' ' ' VAL . 24.8 mmtt -95.78 126.59 41.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.74 -0.664 . . . . 1.0 111.04 -179.219 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 tttt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 1.0 111.112 -179.876 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.948 0.404 . . . . 1.0 111.103 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.447 ' CG ' ' HD3' ' A' ' 13' ' ' ARG . 3.3 mt-30 -78.27 146.42 34.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.294 179.465 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 7' ' ' TRP . 17.1 mttm -103.1 -176.7 3.16 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.654 0.74 . . . . 1.0 112.264 -178.735 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.478 ' N ' HD11 ' A' ' 19' ' ' LEU . 17.2 t90 -57.01 145.61 29.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.054 -0.975 . . . . 1.0 111.129 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.461 ' HG3' ' CD2' ' A' ' 5' ' ' TRP . 0.1 OUTLIER 85.12 -14.91 0.56 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.796 -0.638 . . . . 1.0 112.368 179.406 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 4' ' ' LYS . 19.8 m95 -69.79 167.76 16.52 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.306 -0.558 . . . . 1.0 110.996 -179.876 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.3 163.61 27.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.784 -0.644 . . . . 1.0 112.221 -179.245 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.414 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 1.7 t -130.62 87.94 2.56 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.712 -0.676 . . . . 1.0 109.876 178.833 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -71.27 -174.1 0.97 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.761 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 t -51.39 -26.51 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.535 179.399 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.48 57.0 0.07 Allowed 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.925 -0.58 . . . . 1.0 111.072 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.447 ' HD3' ' CG ' ' A' ' 3' ' ' GLN . 1.4 tmm_? -68.84 153.31 44.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.554 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -97.87 89.76 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.11 0.411 . . . . 1.0 112.11 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.529 ' SG ' HD13 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -96.66 -179.39 4.58 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 178.645 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.5 m -82.16 170.79 15.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.901 0.381 . . . . 1.0 111.048 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -15.7 62.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.806 -179.401 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.87 23.26 33.75 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.572 -0.823 . . . . 1.0 112.244 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.529 HD13 ' SG ' ' A' ' 15' ' ' CYS . 24.5 mt -144.42 165.64 27.37 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.865 0.364 . . . . 1.0 111.221 -179.404 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 21' ' ' CYS . 21.5 t -127.67 161.31 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.803 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.498 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -99.74 115.08 28.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.424 0.63 . . . . 1.0 111.832 -179.639 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.45 79.65 0.09 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.127 -0.942 . . . . 1.0 109.001 179.519 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 78.42 -59.92 0.41 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.994 -0.743 . . . . 1.0 108.994 -177.879 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -139.69 145.26 38.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.965 178.569 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.458 ' HB3' HD13 ' A' ' 19' ' ' LEU . 52.7 m -49.8 102.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 1.0 110.804 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -90.95 130.59 36.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.977 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 9.0 tttt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.292 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.973 0.416 . . . . 1.0 111.348 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.03 136.75 45.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.758 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.4 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 39.9 mttt -87.29 -174.02 4.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.116 0.484 . . . . 1.0 111.493 -179.55 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.456 ' CD1' ' CB ' ' A' ' 27' ' ' LYS . 13.2 t90 -60.83 132.05 52.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 1.0 111.299 -179.793 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.3 ttp 70.07 15.18 7.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.769 -0.651 . . . . 1.0 112.372 178.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.4 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 7.5 m0 -84.9 178.34 7.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.943 0.402 . . . . 1.0 110.783 179.541 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -70.94 146.77 49.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.294 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -152.27 106.46 3.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.658 179.429 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -70.05 -167.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.2 p -47.17 -28.34 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.05 56.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.499 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -69.43 -168.92 0.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.574 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.66 90.17 3.27 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.804 0.335 . . . . 1.0 111.754 -179.441 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -90.09 -179.01 5.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.245 179.06 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.3 m -96.04 169.45 9.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.73 145.79 33.36 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.451 -179.659 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.88 -9.3 72.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.716 . . . . 1.0 113.031 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.678 HD23 ' HA ' ' A' ' 27' ' ' LYS . 66.6 mt -110.89 153.86 24.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.008 0.432 . . . . 1.0 111.189 -179.75 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.7 t -115.17 142.29 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.614 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.33 114.83 26.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.326 0.584 . . . . 1.0 111.782 -179.478 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.37 75.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.226 -0.897 . . . . 1.0 109.081 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.682 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 79.43 -56.92 0.41 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 -177.905 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.682 ' CZ3' HD12 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -130.86 144.89 51.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.821 178.522 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.4 m -71.57 107.49 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.893 0.378 . . . . 1.0 110.971 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.38 123.37 36.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.996 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HA ' HD23 ' A' ' 19' ' ' LEU . 7.0 ttmt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.6 t80 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.819 0.343 . . . . 1.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p -51.05 176.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.349 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.33 123.11 20.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.696 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -79.82 -175.37 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.218 0.533 . . . . 1.0 111.692 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.473 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 15.1 t90 -59.63 131.48 51.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.43 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.6 ttp 72.53 15.11 5.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.814 -0.63 . . . . 1.0 112.334 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -89.72 173.86 8.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.906 0.384 . . . . 1.0 110.869 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.36 163.61 27.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.398 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.34 112.7 0.85 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.52 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -70.21 -169.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.048 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 p -48.52 -27.69 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.213 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.7 51.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.681 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -69.09 -169.93 0.21 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.598 -0.274 . . . . 1.0 110.561 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.81 92.17 3.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 1.0 111.829 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -93.45 169.23 10.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.303 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.7 m -85.39 167.97 15.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 149.47 26.81 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.501 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.32 7.7 88.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.873 -0.68 . . . . 1.0 113.092 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 27' ' ' LYS . 78.8 mt -125.94 157.72 37.02 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.962 0.41 . . . . 1.0 111.179 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.404 HG12 ' HD3' ' A' ' 22' ' ' ARG . 20.3 t -113.28 129.83 68.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.432 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 t -87.22 51.66 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.016 0.376 . . . . 1.0 112.016 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HD3' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -103.94 80.58 1.76 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.142 -0.688 . . . . 1.0 109.142 178.419 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.747 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 79.37 -58.88 0.38 Allowed 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.346 -0.612 . . . . 1.0 109.346 -178.036 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.747 ' CZ3' HD12 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -132.62 144.53 50.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.981 178.595 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.4 ' HB3' HD13 ' A' ' 19' ' ' LEU . 54.6 m -59.89 88.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.917 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.64 118.65 20.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.59 ' O ' HG23 ' A' ' 28' ' ' ILE . 17.3 tttt -89.51 83.19 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.824 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.3 pp -160.21 150.37 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.085 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 30' ' ' NH2 . 4.7 mt -75.78 156.66 5.89 Favored 'Isoleucine or valine' 0 C--O 1.249 1.066 0 CA-C-O 118.241 -0.885 . . . . 1.0 111.08 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . 0.425 ' N ' HG22 ' A' ' 29' ' ' ILE . . . . . . . . 0 C--N 1.249 -3.782 0 O-C-N 123.545 0.528 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.777 0.322 . . . . 1.0 111.188 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 p -52.64 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.261 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -77.27 126.3 30.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.366 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HD2' ' CZ2' ' A' ' 7' ' ' TRP . 8.9 mttp -82.38 -176.78 6.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.208 0.528 . . . . 1.0 111.603 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 16.2 t90 -62.62 132.33 51.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.542 -0.754 . . . . 1.0 111.336 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.8 ttm 75.16 9.19 3.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.866 -0.606 . . . . 1.0 112.105 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.446 ' CZ2' ' HD2' ' A' ' 4' ' ' LYS . 14.7 m0 -87.65 171.21 10.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.97 0.414 . . . . 1.0 110.987 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.62 152.71 42.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.463 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.22 107.86 3.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.551 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -63.86 -168.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.962 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -47.64 -28.32 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.042 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.42 48.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.468 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -69.55 148.45 49.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.896 0.379 . . . . 1.0 110.59 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.39 104.52 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.554 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.8 t -100.36 172.07 7.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.236 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 m -88.8 166.06 14.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -60.32 136.16 57.95 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.143 -0.481 . . . . 1.0 111.424 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.47 12.79 56.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.831 -0.7 . . . . 1.0 113.127 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 27' ' ' LYS . 64.1 mt -131.82 159.76 37.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.019 0.437 . . . . 1.0 111.211 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.5 HG23 ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -117.96 137.12 52.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.326 179.704 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 t -88.76 46.58 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.186 0.439 . . . . 1.0 112.186 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.408 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -94.81 79.8 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.107 -0.701 . . . . 1.0 109.107 178.403 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.895 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 79.93 -58.26 0.35 Allowed 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.159 -0.682 . . . . 1.0 109.159 -177.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.895 ' CH2' HD13 ' A' ' 23' ' ' LEU . 1.4 p90 -134.15 148.06 50.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.654 -0.703 . . . . 1.0 109.933 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.441 ' HB3' HD13 ' A' ' 19' ' ' LEU . 28.5 m -60.49 87.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.793 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HB3' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -83.99 143.32 29.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.92 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.764 ' O ' HD13 ' A' ' 28' ' ' ILE . 6.4 tttp -74.72 101.54 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.186 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.764 HD13 ' O ' ' A' ' 27' ' ' LYS . 26.1 mm -140.37 145.87 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -69.89 -61.56 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.046 0 CA-C-O 118.235 -0.888 . . . . 1.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.792 0 O-C-N 123.532 0.52 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.798 0.333 . . . . 1.0 111.175 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 p -122.33 175.78 6.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.429 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 20.6 mm-40 -68.06 124.96 24.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.89 -0.596 . . . . 1.0 110.089 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.429 ' HB2' ' CE2' ' A' ' 7' ' ' TRP . 49.1 mttt -79.88 -175.58 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.336 0.589 . . . . 1.0 111.892 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.469 ' CD1' ' CB ' ' A' ' 27' ' ' LYS . 16.0 t90 -61.05 131.05 49.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.364 -0.835 . . . . 1.0 111.602 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.5 ttp 65.55 16.97 10.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.758 -0.655 . . . . 1.0 112.279 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.429 ' CE2' ' HB2' ' A' ' 4' ' ' LYS . 11.3 m0 -86.01 175.22 8.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.042 0.448 . . . . 1.0 110.874 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.25 147.28 48.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.452 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.0 104.23 3.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.611 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -60.21 -165.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.5 -28.21 1.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.048 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.86 49.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.771 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.43 146.24 52.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 1.0 110.558 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.69 107.45 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.209 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 15.0 t -103.32 167.72 9.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.396 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.9 m -77.65 172.61 13.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -65.16 152.02 44.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.345 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.89 16.66 76.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.971 -0.633 . . . . 1.0 112.979 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 27' ' ' LYS . 92.4 mt -128.19 157.11 41.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.917 0.389 . . . . 1.0 111.012 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 21.0 t -117.41 132.25 67.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.746 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.9 t -85.12 55.4 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 1.0 111.943 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.74 83.26 1.72 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.905 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 75.83 -62.86 0.42 Allowed 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 -177.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.905 ' CH2' HD13 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -128.09 144.92 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.569 -0.742 . . . . 1.0 109.632 178.213 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 28.3 m -61.11 93.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.93 0.395 . . . . 1.0 110.954 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -78.59 119.62 22.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 1.0 111.013 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -89.79 72.46 7.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.801 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.546 HD13 ' N ' ' A' ' 28' ' ' ILE . 1.5 mm 59.79 106.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.075 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.46 106.56 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.248 1.024 0 CA-C-O 118.265 -0.874 . . . . 1.0 111.066 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.785 0 O-C-N 123.565 0.541 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.806 0.336 . . . . 1.0 111.194 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p -122.81 179.07 4.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -78.98 132.91 36.84 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.419 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.484 ' C ' HD11 ' A' ' 19' ' ' LEU . 4.5 mttp -93.0 -175.7 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.049 0.452 . . . . 1.0 111.352 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.548 ' N ' HD11 ' A' ' 19' ' ' LEU . 21.4 t90 -60.06 139.4 57.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.794 -0.639 . . . . 1.0 111.165 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.447 ' CG ' ' CE3' ' A' ' 5' ' ' TRP . 3.3 mtm 82.9 -5.07 1.29 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.85 -0.614 . . . . 1.0 111.849 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -81.43 169.36 17.27 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.008 0.432 . . . . 1.0 110.819 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.38 151.63 43.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.909 -0.587 . . . . 1.0 111.227 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.22 99.59 1.94 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.66 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.73 -167.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.766 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.9 p -47.72 -27.9 2.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.823 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.89 59.14 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.375 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -164.29 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.715 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.59 65.26 0.67 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 111.899 0.333 . . . . 1.0 111.899 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.539 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.4 t -84.1 176.64 8.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 1.0 110.223 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.5 m -83.13 169.13 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.816 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.66 -15.41 62.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.693 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.62 22.99 36.0 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.643 -0.789 . . . . 1.0 112.146 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.548 HD11 ' N ' ' A' ' 5' ' ' TRP . 20.7 mt -142.3 166.37 24.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.997 0.427 . . . . 1.0 111.381 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.72 144.96 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.431 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.94 113.98 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.352 0.596 . . . . 1.0 111.863 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.47 76.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.099 -0.955 . . . . 1.0 109.065 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.712 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 79.07 -59.85 0.38 Allowed 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.152 -0.685 . . . . 1.0 109.152 -177.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.712 ' CE3' HD12 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -129.22 144.92 51.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.707 -0.679 . . . . 1.0 109.882 178.545 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.7 m -65.83 100.77 0.58 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.907 0.384 . . . . 1.0 111.008 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -90.03 139.81 30.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.787 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.677 ' HG2' HD13 ' A' ' 28' ' ' ILE . 13.1 ttmt -70.14 161.55 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.998 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.677 HD13 ' HG2' ' A' ' 27' ' ' LYS . 3.2 mm 70.57 128.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -62.12 -51.08 76.74 Favored 'Isoleucine or valine' 0 C--O 1.25 1.086 0 CA-C-O 118.226 -0.892 . . . . 1.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.794 0 O-C-N 123.5 0.5 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.4 p90 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.877 0.37 . . . . 1.0 111.176 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -120.57 176.69 5.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.408 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 72.6 mt-30 -70.45 139.43 51.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.286 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.451 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 4.0 mtpm? -90.59 178.6 6.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.49 0.662 . . . . 1.0 111.91 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.466 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 16.2 t90 -62.99 137.13 58.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.158 -0.928 . . . . 1.0 111.26 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 ttm 81.3 -6.34 1.56 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.69 -0.686 . . . . 1.0 112.41 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.451 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 19.2 m0 -77.54 163.93 25.84 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.444 -0.502 . . . . 1.0 110.727 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.27 170.44 14.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.497 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 t -136.43 100.22 4.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.15 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -167.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.807 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -46.8 -29.11 1.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.978 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.88 46.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.229 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 119.78 14.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.674 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -65.24 116.06 6.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.499 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 0.8 OUTLIER -96.95 -179.21 4.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.127 179.175 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.9 m -93.26 169.69 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.972 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.95 143.38 43.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.436 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.779 ' O ' HD12 ' A' ' 28' ' ' ILE . . . 90.44 -8.85 79.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.846 -0.692 . . . . 1.0 113.022 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.561 HD23 ' HA ' ' A' ' 27' ' ' LYS . 59.2 mt -115.29 152.64 32.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.052 0.453 . . . . 1.0 111.386 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.539 HG13 HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -115.46 136.58 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.325 179.564 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -87.33 53.04 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 1.0 111.909 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.3 84.37 2.32 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.2 -0.667 . . . . 1.0 109.2 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.82 -59.58 0.44 Allowed 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -135.19 143.68 46.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.629 -0.714 . . . . 1.0 109.908 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.8 m -57.68 89.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.973 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -90.56 134.36 34.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.913 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -75.53 120.95 21.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.204 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 18' ' ' GLY . 3.9 mp -81.33 108.38 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.133 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.532 ' H ' HD12 ' A' ' 29' ' ' ILE . 3.5 mp -68.04 -39.88 82.21 Favored 'Isoleucine or valine' 0 C--O 1.249 1.062 0 CA-C-O 118.223 -0.894 . . . . 1.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.789 0 O-C-N 123.546 0.529 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.0 p90 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.813 0.34 . . . . 1.0 111.204 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -120.66 174.81 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 1.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.451 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -73.7 138.11 44.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.239 179.368 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' O ' ' CD1' ' A' ' 7' ' ' TRP . 4.3 mtmp? -99.41 -178.58 3.95 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.383 0.611 . . . . 1.0 111.702 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.468 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 18.4 t90 -59.85 139.92 56.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.127 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.464 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 88.03 -11.66 0.48 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.752 -0.658 . . . . 1.0 112.037 179.5 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.418 ' CD1' ' O ' ' A' ' 4' ' ' LYS . 10.7 m95 -78.48 159.32 28.3 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.209 0.528 . . . . 1.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.88 164.0 27.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.654 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 t -133.21 98.15 4.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.157 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -166.92 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.754 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.8 p -47.07 -28.51 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.978 -0.556 . . . . 1.0 111.002 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.13 57.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.255 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.57 123.68 21.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.697 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 89.07 0.36 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.585 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.469 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.6 t -89.22 175.66 7.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.134 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.6 m -80.47 169.81 17.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.771 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.58 -15.53 62.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.746 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.91 21.88 42.52 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.502 -0.856 . . . . 1.0 112.106 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.469 HD13 ' SG ' ' A' ' 15' ' ' CYS . 23.5 mt -143.34 163.43 33.04 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.063 0.458 . . . . 1.0 111.465 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -119.62 135.79 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.258 179.51 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -87.13 56.78 4.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 1.0 111.907 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -107.17 84.27 1.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.169 -0.678 . . . . 1.0 109.169 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.965 HD23 ' CH2' ' A' ' 24' ' ' TRP . 1.6 tp 76.73 -61.16 0.45 Allowed 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.046 -0.724 . . . . 1.0 109.046 -177.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.965 ' CH2' HD23 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -133.12 144.21 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.601 -0.727 . . . . 1.0 109.78 178.289 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.0 m -57.78 94.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' HB2' HG23 ' A' ' 20' ' ' VAL . 1.8 mmtp -94.31 143.1 26.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.683 ' O ' HD13 ' A' ' 28' ' ' ILE . 9.6 tttm -78.56 126.55 30.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.298 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 27' ' ' LYS . 26.6 mm -144.21 120.14 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.055 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mt -63.2 -63.5 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.07 0 CA-C-O 118.251 -0.88 . . . . 1.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.799 0 O-C-N 123.517 0.51 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 54.8 p90 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.796 0.331 . . . . 1.0 111.195 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 p -120.31 177.4 5.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.043 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -86.27 141.77 29.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.643 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -95.51 -175.72 3.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.381 0.61 . . . . 1.0 112.0 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.54 ' HB2' HD21 ' A' ' 19' ' ' LEU . 17.9 t90 -55.56 143.18 30.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.329 -0.85 . . . . 1.0 111.354 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.428 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 84.19 -11.98 0.81 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.81 -0.632 . . . . 1.0 112.199 179.392 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -77.26 168.06 20.68 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.829 0.347 . . . . 1.0 110.683 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.32 171.32 11.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -161.11 104.95 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.997 0.427 . . . . 1.0 111.116 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -70.07 -165.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.589 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 m -46.28 -28.65 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.056 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.26 59.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.542 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -69.71 162.92 26.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.803 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 95.79 10.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.779 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.36 177.13 5.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.22 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.1 m -98.65 171.95 7.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.911 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -58.29 147.36 31.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.261 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.94 -4.63 82.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.852 -0.689 . . . . 1.0 113.004 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' A' ' 5' ' ' TRP . 53.7 mt -116.31 152.03 34.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.991 0.424 . . . . 1.0 111.167 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 t -120.82 151.03 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.774 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 t -97.58 116.82 30.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.388 0.613 . . . . 1.0 111.846 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -170.28 77.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.034 -0.985 . . . . 1.0 108.689 179.548 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.418 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.2 mt 80.93 -57.31 0.3 Allowed 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.729 -0.841 . . . . 1.0 108.729 -177.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -136.74 148.71 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.877 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.8 m -62.75 92.57 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.883 0.373 . . . . 1.0 110.447 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -71.83 164.42 26.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.949 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -93.9 136.63 33.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.133 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.1 tp -160.08 150.14 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.323 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.7 mm -71.59 -40.57 71.38 Favored 'Isoleucine or valine' 0 C--O 1.25 1.079 0 CA-C-O 118.219 -0.895 . . . . 1.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.779 0 O-C-N 123.567 0.542 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 62.4 t80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.824 0.345 . . . . 1.0 111.206 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p -120.76 175.61 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.054 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -71.63 150.17 44.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.427 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.447 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 9.7 mtpp -98.57 -178.92 4.15 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.29 0.567 . . . . 1.0 111.664 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.542 ' HD1' HD22 ' A' ' 19' ' ' LEU . 27.5 t90 -63.72 135.13 56.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.408 -0.814 . . . . 1.0 111.416 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.447 ' HG3' ' CE3' ' A' ' 5' ' ' TRP . 2.3 mtm 76.48 2.16 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 1.0 112.266 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.447 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 19.6 m0 -81.47 166.82 20.0 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.185 0.517 . . . . 1.0 111.242 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.03 164.3 26.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.404 -0.816 . . . . 1.0 111.906 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.4 t -154.77 122.43 5.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.125 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.47 -167.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.811 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -47.16 -28.01 1.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.843 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.03 60.3 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.423 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -68.88 -163.45 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.689 0.28 . . . . 1.0 110.531 179.736 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.93 101.43 4.58 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.86 0.362 . . . . 1.0 111.28 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -93.73 179.87 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.494 179.506 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.5 m -90.62 169.74 10.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.589 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -55.93 145.56 24.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.964 0.411 . . . . 1.0 111.228 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.36 -21.23 36.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.87 -0.681 . . . . 1.0 112.972 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.542 HD22 ' HD1' ' A' ' 5' ' ' TRP . 15.3 mt -107.72 153.09 23.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.075 0.464 . . . . 1.0 111.364 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.937 HG12 ' O ' ' A' ' 26' ' ' LYS . 10.9 p -110.98 133.73 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.168 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -93.42 56.41 2.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 1.0 112.05 -178.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -103.75 74.39 1.23 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 178.575 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.7 tp 86.5 -37.72 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.519 -178.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.449 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -138.11 -170.92 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.423 -0.808 . . . . 1.0 109.781 178.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.1 m -110.54 76.79 1.0 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.937 ' O ' HG12 ' A' ' 20' ' ' VAL . 18.5 mmtt -93.04 128.22 38.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.869 -0.605 . . . . 1.0 111.546 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 7.1 tttm -82.02 74.6 8.99 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.758 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.1 tp -110.59 151.87 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 1.0 111.278 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.99 -32.16 47.53 Favored 'Isoleucine or valine' 0 C--O 1.249 1.068 0 CA-C-O 118.197 -0.906 . . . . 1.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.807 0 O-C-N 123.534 0.521 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.817 0.342 . . . . 1.0 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -121.9 175.13 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 8' ' ' THR . 4.5 pt20 -85.44 141.16 30.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.249 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 15.9 mtmt -87.16 -178.9 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.393 0.616 . . . . 1.0 111.922 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.467 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 57.0 t90 -58.59 141.25 52.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.298 -0.865 . . . . 1.0 111.592 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.0 mtp 75.69 -1.93 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.0 0.741 . . . . 1.0 113.0 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.408 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 31.3 m95 -78.29 165.25 24.09 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 120.209 -0.596 . . . . 1.0 110.924 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.449 ' O ' ' NE2' ' A' ' 3' ' ' GLN . 2.8 p -72.26 143.99 48.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.373 -0.83 . . . . 1.0 111.713 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 t -119.8 100.0 6.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.565 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -64.72 -166.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.9 p -47.06 -28.64 1.78 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.252 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.07 48.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.647 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HB3' ' OE1' ' A' ' 3' ' ' GLN . 2.4 mmp_? -71.19 120.91 17.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.703 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -64.52 122.72 17.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.978 0.418 . . . . 1.0 111.424 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' HA ' ' HG3' ' A' ' 3' ' ' GLN . 9.9 t -102.85 167.44 9.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.426 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.6 m -82.95 171.5 13.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.01 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.43 157.15 9.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.484 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.17 15.65 65.67 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.861 -0.608 . . . . 1.0 112.961 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.814 HD23 ' HA ' ' A' ' 27' ' ' LYS . 96.0 mt -132.52 159.1 40.41 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.953 0.406 . . . . 1.0 111.224 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 28' ' ' ILE . 20.9 t -127.39 137.56 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.856 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.64 110.76 20.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.247 0.546 . . . . 1.0 111.632 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.25 81.26 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.262 -0.881 . . . . 1.0 109.079 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 77.25 -59.39 0.47 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.837 -0.801 . . . . 1.0 108.837 -177.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.407 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 0.4 OUTLIER -134.47 145.04 48.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.496 -0.775 . . . . 1.0 109.643 178.229 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.416 ' SG ' ' NE2' ' A' ' 3' ' ' GLN . 8.2 m -65.14 93.16 0.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.946 0.403 . . . . 1.0 110.947 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -69.96 118.12 12.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.815 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.814 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -87.97 120.24 29.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.867 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.468 ' CD1' HG23 ' A' ' 20' ' ' VAL . 3.8 mp -125.39 129.72 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.1 mm -73.3 -64.32 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.059 0 CA-C-O 118.195 -0.907 . . . . 1.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.793 0 O-C-N 123.589 0.555 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.824 0.345 . . . . 1.0 111.178 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -49.05 174.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.333 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.46 144.41 53.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.714 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp -93.56 -176.73 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.219 0.533 . . . . 1.0 111.581 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.425 ' CE2' ' HG3' ' A' ' 6' ' ' MET . 36.1 t90 -62.23 137.37 58.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.656 -0.702 . . . . 1.0 111.316 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.425 ' HG3' ' CE2' ' A' ' 5' ' ' TRP . 80.5 mtp 67.36 9.23 6.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.693 -0.685 . . . . 1.0 112.41 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -82.39 173.42 12.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.002 0.429 . . . . 1.0 110.989 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.43 159.52 34.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.639 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.97 116.72 2.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.452 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.42 -169.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 t -47.69 -27.98 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.778 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.26 58.43 0.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.284 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -164.74 0.05 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.58 -0.282 . . . . 1.0 110.502 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.16 92.22 3.34 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.849 0.356 . . . . 1.0 111.43 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' SG ' HD12 ' A' ' 19' ' ' LEU . 1.7 t -91.95 176.98 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.394 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.8 m -88.92 168.85 12.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.513 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.58 145.65 38.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.942 0.401 . . . . 1.0 111.195 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.37 -15.3 58.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.869 -0.682 . . . . 1.0 113.16 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.478 HD12 ' SG ' ' A' ' 15' ' ' CYS . 49.2 mt -107.08 150.9 26.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.151 0.5 . . . . 1.0 111.44 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 26' ' ' LYS . 27.3 t -105.34 128.61 59.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.401 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.3 t -91.74 54.4 2.45 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.217 0.451 . . . . 1.0 112.217 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.43 78.09 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 178.542 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER 84.66 -44.51 0.08 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 -177.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.452 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -132.31 -171.89 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.253 178.619 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.3 m -107.92 73.17 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.053 0.454 . . . . 1.0 109.811 178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.543 ' O ' HG23 ' A' ' 20' ' ' VAL . 11.0 mmtm -94.48 125.99 39.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.85 -0.613 . . . . 1.0 111.348 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -68.19 146.43 53.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.7 mt 63.41 149.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.076 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.1 mt -77.23 142.26 14.49 Favored 'Isoleucine or valine' 0 C--O 1.249 1.062 0 CA-C-O 118.228 -0.891 . . . . 1.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.79 0 O-C-N 123.512 0.508 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.8 p90 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.884 0.373 . . . . 1.0 111.156 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p -120.93 172.83 7.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.424 ' OE1' ' HB3' ' A' ' 7' ' ' TRP . 8.7 mt-30 -76.48 147.16 38.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.187 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 7' ' ' TRP . 13.4 mttt -104.04 -179.55 3.98 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.573 0.701 . . . . 1.0 112.195 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.475 ' N ' HD11 ' A' ' 19' ' ' LEU . 16.0 t90 -59.18 142.45 51.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.111 -0.95 . . . . 1.0 111.215 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.443 ' HG3' ' CD2' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 85.8 -13.42 0.6 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.718 -0.674 . . . . 1.0 112.22 179.399 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.424 ' HB3' ' OE1' ' A' ' 3' ' ' GLN . 14.9 m95 -70.01 168.43 15.45 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 120.469 -0.492 . . . . 1.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.08 164.13 26.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.997 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.3 t -131.16 92.46 3.2 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.123 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -71.11 -173.91 0.9 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.788 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 p -51.38 -26.64 8.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.642 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.2 56.05 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.028 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -68.95 147.85 51.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.66 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.27 103.61 15.63 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.448 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -104.86 178.16 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.167 179.276 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.5 m -78.2 171.5 14.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.526 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.5 -13.72 62.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.857 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.26 23.03 37.86 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.516 -0.85 . . . . 1.0 112.048 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 27' ' ' LYS . 36.9 mt -146.02 164.17 32.92 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.003 0.43 . . . . 1.0 111.569 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.779 HG22 HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -129.92 166.6 27.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.515 179.801 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.49 116.85 33.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.32 0.581 . . . . 1.0 111.824 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.55 81.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.216 -0.902 . . . . 1.0 108.875 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.996 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.6 OUTLIER 76.75 -60.84 0.46 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.607 -0.886 . . . . 1.0 108.607 -177.489 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.996 ' CH2' HD13 ' A' ' 23' ' ' LEU . 1.2 p90 -137.14 147.79 46.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.533 -0.758 . . . . 1.0 109.687 177.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.401 ' HB3' HD13 ' A' ' 19' ' ' LEU . 4.5 m -51.36 96.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.887 0.375 . . . . 1.0 110.616 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 138.64 32.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.206 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HA ' HD23 ' A' ' 19' ' ' LEU . 1.1 ttpm? -81.44 149.54 28.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.536 . . . . 1.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.779 HD12 HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -148.4 159.0 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.17 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -71.84 137.08 24.37 Favored 'Isoleucine or valine' 0 C--O 1.249 1.055 0 CA-C-O 118.186 -0.911 . . . . 1.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.795 0 O-C-N 123.57 0.544 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.4 t80 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.814 0.34 . . . . 1.0 111.174 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -122.25 174.53 6.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.138 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -71.21 146.1 49.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.414 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.451 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 2.2 mtpm? -94.76 -179.45 4.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.451 0.644 . . . . 1.0 111.858 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.489 ' HD1' HD22 ' A' ' 19' ' ' LEU . 27.7 t90 -64.58 133.89 53.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.329 -0.85 . . . . 1.0 111.503 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.444 ' HG3' ' CE3' ' A' ' 5' ' ' TRP . 0.8 OUTLIER 76.2 1.73 3.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.766 -0.652 . . . . 1.0 112.295 179.171 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.451 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 17.3 m0 -81.9 166.36 19.98 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.209 0.528 . . . . 1.0 111.054 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.91 162.05 30.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.466 -0.788 . . . . 1.0 111.484 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.412 ' HA ' ' HB3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -138.61 100.24 4.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.481 179.175 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -57.61 -167.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.994 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.39 -29.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.959 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.07 45.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.342 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HB3' ' HA ' ' A' ' 9' ' ' CYS . 8.1 tpm_? -70.39 103.72 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.506 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 121.02 9.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.652 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.488 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -97.44 178.86 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.163 179.164 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -87.78 169.99 11.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.76 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.21 131.2 48.63 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.449 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.98 -7.89 53.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 1.0 113.233 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.489 HD22 ' HD1' ' A' ' 5' ' ' TRP . 47.9 mt -114.55 151.33 33.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.12 0.486 . . . . 1.0 111.496 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 26' ' ' LYS . 20.5 t -105.63 127.96 60.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.613 -0.722 . . . . 1.0 110.294 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.2 t -90.82 45.57 1.26 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.2 0.444 . . . . 1.0 112.2 -178.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -90.88 73.81 6.52 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 178.544 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER 87.23 -44.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.796 -0.638 . . . . 1.0 109.336 -177.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.451 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -129.54 -169.81 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.369 -0.832 . . . . 1.0 109.243 178.65 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.2 m -111.27 73.81 0.84 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.996 0.427 . . . . 1.0 109.993 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 10.6 mmtp -94.1 128.05 40.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.151 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -57.02 162.92 2.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.465 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -43.67 164.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.736 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.4 mm -72.82 -20.39 19.13 Favored 'Isoleucine or valine' 0 C--O 1.249 1.051 0 CA-C-O 118.228 -0.891 . . . . 1.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.784 0 O-C-N 123.496 0.498 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.825 0.345 . . . . 1.0 111.195 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -120.84 174.18 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.083 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.445 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 13.6 pt20 -86.31 147.54 26.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.445 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -84.99 178.74 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 1.0 112.191 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.563 ' HB2' HD21 ' A' ' 19' ' ' LEU . 66.7 t90 -58.19 145.45 37.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.964 -1.016 . . . . 1.0 111.375 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' A' ' 5' ' ' TRP . 2.2 mmm 71.35 0.75 3.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.477 -0.783 . . . . 1.0 112.883 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -76.82 166.56 23.19 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 120.159 -0.616 . . . . 1.0 110.815 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p -71.88 145.73 48.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.59 -0.732 . . . . 1.0 111.51 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.75 106.81 9.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.803 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.62 -166.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.746 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -46.71 -28.52 1.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.014 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.67 55.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.464 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -69.67 164.96 22.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.533 -0.303 . . . . 1.0 110.642 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.53 110.34 22.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.003 0.43 . . . . 1.0 111.843 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' HA ' ' HG3' ' A' ' 3' ' ' GLN . 13.6 t -102.08 167.14 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.119 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.56 171.99 14.33 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.043 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.53 159.85 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.375 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.49 11.46 62.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.981 -0.628 . . . . 1.0 112.973 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 5' ' ' TRP . 68.0 mt -129.19 157.14 42.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.913 0.387 . . . . 1.0 111.11 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 20.9 t -120.04 149.4 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.3 t -92.41 42.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.008 0.373 . . . . 1.0 112.008 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.38 79.83 4.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.86 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 4.3 tp 77.83 -59.14 0.45 Allowed 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.86 ' CZ3' HD23 ' A' ' 23' ' ' LEU . 2.4 p90 -132.58 154.4 50.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.658 -0.701 . . . . 1.0 109.807 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 47.7 m -59.63 88.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.935 0.398 . . . . 1.0 110.865 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.07 122.16 26.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.995 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 10.7 tttp -91.97 81.79 5.12 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.645 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 tp -122.24 149.09 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.295 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 29' ' ' ILE . 3.6 mp -69.06 -57.74 7.75 Favored 'Isoleucine or valine' 0 C--O 1.249 1.05 0 CA-C-O 118.194 -0.907 . . . . 1.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.818 0 O-C-N 123.552 0.532 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.862 0.363 . . . . 1.0 111.172 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p -51.43 177.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.458 . . . . 1.0 111.327 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -74.91 139.05 42.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.457 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.424 ' HE3' ' CZ2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -99.29 -179.24 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.271 0.558 . . . . 1.0 111.518 -179.619 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.466 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 28.5 t90 -62.61 137.7 58.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.522 -0.763 . . . . 1.0 111.235 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.442 ' CG ' ' CE3' ' A' ' 5' ' ' TRP . 3.3 mtp 86.04 -11.85 0.65 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.792 -0.64 . . . . 1.0 112.005 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.424 ' CZ2' ' HE3' ' A' ' 4' ' ' LYS . 31.0 m95 -80.95 162.19 23.98 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.141 0.496 . . . . 1.0 111.061 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.02 170.26 14.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.511 -0.768 . . . . 1.0 111.498 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.78 111.19 3.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.39 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -60.46 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.1 -28.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.889 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.75 49.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.332 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -69.34 150.64 47.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.866 0.365 . . . . 1.0 110.563 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -79.75 117.84 21.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.216 0.531 . . . . 1.0 112.085 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' SG ' HD12 ' A' ' 19' ' ' LEU . 1.6 t -110.79 -179.23 3.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.557 -0.747 . . . . 1.0 110.06 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.8 m -95.65 168.06 10.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.803 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -59.14 132.37 53.82 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.348 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.98 -9.16 58.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 1.0 113.082 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.414 HD12 ' SG ' ' A' ' 15' ' ' CYS . 63.7 mt -113.35 152.77 29.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.978 0.418 . . . . 1.0 111.28 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -113.6 140.95 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.426 179.723 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.8 t -89.7 46.37 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.048 0.388 . . . . 1.0 112.048 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.83 83.7 3.75 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.373 -0.602 . . . . 1.0 109.373 178.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.37 -60.51 0.44 Allowed 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.407 -0.59 . . . . 1.0 109.407 -178.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -132.92 145.58 51.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.711 -0.677 . . . . 1.0 109.929 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 8.3 m -59.65 95.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.917 0.389 . . . . 1.0 110.82 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.557 ' HB3' HD13 ' A' ' 28' ' ' ILE . 1.8 tptm -102.86 145.27 30.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.003 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.637 ' C ' HD12 ' A' ' 28' ' ' ILE . 4.4 tttp -73.75 72.38 1.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.344 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.717 ' O ' HG13 ' A' ' 20' ' ' VAL . 5.2 mp -148.21 153.85 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.879 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.419 ' N ' HG22 ' A' ' 28' ' ' ILE . 30.4 mt -79.04 -37.33 19.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.026 0 CA-C-O 118.267 -0.873 . . . . 1.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.25 -3.748 0 O-C-N 123.497 0.498 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 53.6 p90 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.836 0.35 . . . . 1.0 111.202 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -121.21 176.46 5.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -70.87 142.6 51.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.297 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.423 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 5.4 mtpt -99.24 179.22 4.66 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.433 0.635 . . . . 1.0 111.939 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.473 ' O ' ' CB ' ' A' ' 6' ' ' MET . 15.1 t90 -62.37 135.81 57.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.196 -0.911 . . . . 1.0 111.207 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.473 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 1.1 tmm? 87.57 -13.26 0.47 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.745 -0.661 . . . . 1.0 112.246 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.423 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 24.1 m95 -78.99 161.62 26.51 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.501 -0.48 . . . . 1.0 110.864 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.15 -178.43 2.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.656 -0.702 . . . . 1.0 111.39 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -152.89 103.59 2.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.432 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.25 -167.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.011 -0.54 . . . . 1.0 111.042 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.5 p -46.41 -29.04 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.08 45.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.413 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -69.89 120.59 15.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.447 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -63.53 124.11 20.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.133 0.492 . . . . 1.0 111.834 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -107.44 -178.09 3.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.801 -0.636 . . . . 1.0 109.973 179.033 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.0 m -95.04 168.62 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -57.98 137.92 56.37 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.484 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.59 -6.57 67.88 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.807 -0.711 . . . . 1.0 113.159 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.43 HD21 ' HB2' ' A' ' 5' ' ' TRP . 55.8 mt -116.18 152.27 34.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.05 0.453 . . . . 1.0 111.407 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.64 HG12 ' HD3' ' A' ' 22' ' ' ARG . 19.7 t -112.52 139.4 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.436 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.7 t -89.79 44.52 1.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.122 0.416 . . . . 1.0 112.122 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.64 ' HD3' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -92.14 81.13 5.03 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 178.533 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 78.84 -59.07 0.41 Allowed 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 -178.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -133.68 144.81 49.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.997 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 30.4 m -57.99 89.47 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.95 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -85.99 145.22 27.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.94 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' O ' ' O ' ' A' ' 28' ' ' ILE . 12.2 tttp -72.95 119.96 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.075 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.589 ' C ' HD12 ' A' ' 28' ' ' ILE . 2.1 pp 44.26 172.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.586 0.708 . . . . 1.0 112.614 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.24 115.34 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.053 0 CA-C-O 118.157 -0.925 . . . . 1.0 111.103 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.808 0 O-C-N 123.568 0.543 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.872 0.368 . . . . 1.0 111.211 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -121.91 178.03 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 8' ' ' THR . 13.4 mt-30 -72.93 143.08 47.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.714 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.435 ' HZ3' ' HE1' ' A' ' 7' ' ' TRP . 31.0 mtmm -102.87 -178.82 3.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.158 0.504 . . . . 1.0 111.558 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.519 ' O ' ' CB ' ' A' ' 6' ' ' MET . 7.9 t90 -69.17 89.42 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.994 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.519 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 149.0 -24.73 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 O-C-N 123.547 0.529 . . . . 1.0 111.419 179.4 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.435 ' HE1' ' HZ3' ' A' ' 4' ' ' LYS . 32.8 m95 -69.47 170.52 10.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.054 0.454 . . . . 1.0 111.408 -179.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.467 ' O ' ' NE2' ' A' ' 3' ' ' GLN . 0.7 OUTLIER -72.09 -176.19 1.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.594 -0.73 . . . . 1.0 111.299 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -150.61 97.15 2.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.338 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -70.26 -169.19 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.759 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.1 t -47.9 -28.68 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.035 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.43 55.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -69.79 144.38 52.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.816 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.41 108.99 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.465 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -102.59 179.72 4.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.45 179.477 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.0 m -95.71 167.75 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.487 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -57.89 145.55 35.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.926 0.393 . . . . 1.0 111.127 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.462 ' HA2' HD13 ' A' ' 29' ' ' ILE . . . 87.03 -11.0 66.21 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.856 -0.688 . . . . 1.0 113.167 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 5' ' ' TRP . 51.2 mt -105.68 150.72 25.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.128 0.489 . . . . 1.0 111.31 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -119.14 150.05 21.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.803 -179.815 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.48 113.81 25.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.316 0.579 . . . . 1.0 111.62 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.33 86.67 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.22 -0.9 . . . . 1.0 108.919 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.78 -59.33 0.45 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.804 -0.813 . . . . 1.0 108.804 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -143.28 144.04 31.96 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.513 -0.767 . . . . 1.0 109.772 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 7' ' ' TRP . 4.5 m -55.5 98.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.91 0.386 . . . . 1.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HB2' HG23 ' A' ' 20' ' ' VAL . 4.4 mmtm -81.65 165.49 21.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.713 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 9.6 tttm -92.53 74.63 5.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 1.0 111.457 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.409 ' HB ' HG21 ' A' ' 20' ' ' VAL . 16.8 mt -151.14 149.44 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.462 HD13 ' HA2' ' A' ' 18' ' ' GLY . 31.4 mm -70.98 119.09 16.62 Favored 'Isoleucine or valine' 0 C--O 1.248 1.024 0 CA-C-O 118.224 -0.893 . . . . 1.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.766 0 O-C-N 123.543 0.527 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.813 0.339 . . . . 1.0 111.203 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -121.48 177.07 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.58 144.05 46.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.727 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.427 ' HA ' HD11 ' A' ' 19' ' ' LEU . 12.1 mttp -103.98 177.79 4.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.351 0.596 . . . . 1.0 111.842 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.508 ' O ' ' CB ' ' A' ' 6' ' ' MET . 7.5 t90 -66.89 89.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.2 -0.909 . . . . 1.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.508 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 152.55 -31.89 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.435 0.46 . . . . 1.0 111.166 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.413 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 28.8 m95 -75.44 160.22 30.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.052 0.454 . . . . 1.0 111.331 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.19 -175.86 1.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.66 111.06 3.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.679 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.37 -168.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.728 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.9 t -47.04 -28.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.979 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.23 52.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.271 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -69.54 150.05 47.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.718 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -80.77 117.06 21.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.278 0.561 . . . . 1.0 112.037 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.539 ' SG ' HD12 ' A' ' 19' ' ' LEU . 1.6 t -111.99 177.5 4.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.419 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.2 m -94.22 166.91 11.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.336 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -57.42 145.43 32.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.014 0.435 . . . . 1.0 111.177 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.62 -7.86 77.64 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.862 -0.685 . . . . 1.0 113.289 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.539 HD12 ' SG ' ' A' ' 15' ' ' CYS . 44.1 mt -107.87 150.68 26.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.16 0.505 . . . . 1.0 111.402 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 20.7 t -113.0 141.8 27.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.932 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -90.6 39.72 0.99 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.867 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.38 84.95 6.46 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.943 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 78.09 -58.05 0.46 Allowed 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.423 -0.584 . . . . 1.0 109.423 -178.263 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.943 ' CH2' HD13 ' A' ' 23' ' ' LEU . 2.6 p90 -138.85 151.78 47.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.827 -0.624 . . . . 1.0 109.998 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 17.8 m -60.17 89.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 1.0 110.723 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -84.14 170.47 13.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.657 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 15.9 tttt -94.98 141.37 28.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.136 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.4 tp -167.28 136.28 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 1.0 111.307 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.3 mt -78.3 155.3 5.08 Favored 'Isoleucine or valine' 0 C--O 1.249 1.065 0 CA-C-O 118.228 -0.892 . . . . 1.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.771 0 O-C-N 123.503 0.502 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.798 0.332 . . . . 1.0 111.258 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -120.63 175.91 5.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.416 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 14.5 mm-40 -71.96 145.24 48.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.563 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.412 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 4.2 mtpm? -105.18 -179.49 3.96 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.369 0.604 . . . . 1.0 111.508 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.467 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 21.3 t90 -62.22 137.69 58.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.479 -0.782 . . . . 1.0 111.16 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.448 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 1.2 mtp 87.38 -12.92 0.49 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.748 -0.66 . . . . 1.0 112.096 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.412 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 22.1 m95 -81.75 159.43 23.86 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.256 0.55 . . . . 1.0 111.233 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.19 -178.47 2.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.328 -0.851 . . . . 1.0 111.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.28 110.92 3.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.667 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.83 -168.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.766 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.6 p -47.13 -28.52 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.001 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.24 49.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.264 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HG2' ' HG3' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -69.61 133.35 47.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.853 0.358 . . . . 1.0 110.714 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -73.96 121.84 21.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.113 0.482 . . . . 1.0 111.753 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' SG ' HD12 ' A' ' 19' ' ' LEU . 1.3 t -106.37 179.45 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.183 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.9 m -92.77 169.31 10.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.717 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -60.16 133.0 55.67 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.364 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.98 -13.93 57.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 1.0 113.0 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.415 HD12 ' SG ' ' A' ' 15' ' ' CYS . 44.2 mt -110.48 151.27 27.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.047 0.451 . . . . 1.0 111.367 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.797 HG21 HG22 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -111.72 136.14 48.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.649 . . . . 1.0 110.064 179.308 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.0 t -90.39 46.29 1.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.505 . . . . 1.0 112.084 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -89.67 70.39 7.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 178.715 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 3.1 tp 86.7 -39.41 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.637 -0.71 . . . . 1.0 109.457 -178.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.456 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.23 -168.89 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.397 -0.82 . . . . 1.0 109.494 178.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.05 81.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.105 -0.702 . . . . 1.0 109.105 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.65 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.9 mmtp -96.16 142.46 28.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.885 -0.598 . . . . 1.0 111.671 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 3.1 tttp -85.84 75.0 10.09 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.079 -0.51 . . . . 1.0 111.098 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.797 HG22 HG21 ' A' ' 20' ' ' VAL . 4.0 tp -122.07 149.55 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.245 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.1 mt -77.47 111.77 14.66 Favored 'Isoleucine or valine' 0 C--O 1.249 1.073 0 CA-C-O 118.172 -0.918 . . . . 1.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.797 0 O-C-N 123.56 0.537 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.869 0.366 . . . . 1.0 111.132 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -121.85 175.6 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.075 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -75.71 149.14 38.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.337 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.449 ' CE ' ' CZ2' ' A' ' 7' ' ' TRP . 26.8 mtmt -99.41 179.27 4.62 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.365 0.602 . . . . 1.0 111.772 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.626 ' HD1' HD22 ' A' ' 19' ' ' LEU . 24.0 t90 -63.74 134.9 56.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.334 -0.848 . . . . 1.0 111.431 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.434 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 3.1 mtp 85.15 -8.28 0.87 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.691 -0.686 . . . . 1.0 112.37 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.449 ' CZ2' ' CE ' ' A' ' 4' ' ' LYS . 22.9 m95 -82.44 160.81 22.64 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 121.36 0.6 . . . . 1.0 111.239 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 p -72.36 179.32 3.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.204 -0.907 . . . . 1.0 111.492 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.8 99.05 3.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.269 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -56.88 -167.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.152 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -46.32 -28.95 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.66 44.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.507 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -76.57 89.21 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.376 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -53.91 128.63 30.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.647 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -94.21 -178.45 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.112 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -90.2 169.75 10.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.727 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.98 133.65 56.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.399 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.38 -14.06 56.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 1.0 113.033 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.626 HD22 ' HD1' ' A' ' 5' ' ' TRP . 26.0 mt -114.0 152.8 30.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.163 0.506 . . . . 1.0 111.588 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.59 HG22 HD11 ' A' ' 28' ' ' ILE . 24.2 t -105.34 129.05 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.362 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 t -91.33 44.93 1.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.982 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -90.44 75.16 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 178.783 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 2.9 tp 86.21 -44.74 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.423 -178.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.455 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -130.62 -170.03 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.368 -0.833 . . . . 1.0 109.3 178.674 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.8 m -110.2 75.33 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 11.4 mmtp -95.92 122.51 38.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.282 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -71.12 148.54 47.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 1.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.59 HD11 HG22 ' A' ' 20' ' ' VAL . 4.0 mp -87.3 152.06 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.104 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 mt -71.9 -40.45 68.51 Favored 'Isoleucine or valine' 0 C--O 1.25 1.08 0 CA-C-O 118.256 -0.878 . . . . 1.0 111.08 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.768 0 O-C-N 123.524 0.515 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.804 0.335 . . . . 1.0 111.182 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -120.82 174.19 6.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.405 ' HG2' ' HG3' ' A' ' 13' ' ' ARG . 31.0 mm-40 -67.92 147.57 52.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.199 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 3.0 mtpm? -95.77 -179.41 4.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.386 0.612 . . . . 1.0 111.918 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.482 ' HD1' HD22 ' A' ' 19' ' ' LEU . 28.4 t90 -64.28 133.26 52.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.265 -0.879 . . . . 1.0 111.482 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.449 ' HG3' ' CE3' ' A' ' 5' ' ' TRP . 3.3 mtm 76.81 1.69 3.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.809 -0.632 . . . . 1.0 112.332 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.448 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 17.0 m0 -81.73 166.42 20.09 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.186 0.517 . . . . 1.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.97 159.68 33.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.509 -0.768 . . . . 1.0 111.862 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.5 t -133.1 96.14 3.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.064 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.91 -168.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.101 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 p -46.82 -29.27 1.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.47 44.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.398 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HG3' ' HG2' ' A' ' 3' ' ' GLN . 2.4 tpm_? -74.97 93.46 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.421 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 127.11 21.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.198 0.523 . . . . 1.0 111.567 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -101.97 178.84 4.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.196 179.374 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.9 m -88.23 169.25 12.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.404 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.38 150.87 21.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.005 0.431 . . . . 1.0 111.279 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.12 -7.14 68.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.949 -0.643 . . . . 1.0 113.401 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.482 HD22 ' HD1' ' A' ' 5' ' ' TRP . 43.4 mt -113.15 150.61 31.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.15 0.5 . . . . 1.0 111.554 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 24' ' ' TRP . 25.6 t -108.53 128.54 64.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.258 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.34 46.38 1.34 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.289 0.477 . . . . 1.0 112.289 -178.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -92.65 73.56 5.04 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 178.533 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.47 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.2 tt 87.4 -41.01 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.859 -0.609 . . . . 1.0 109.486 -178.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.455 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.86 -169.53 2.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.299 -0.864 . . . . 1.0 109.204 178.765 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.4 m -109.5 69.31 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.034 0.445 . . . . 1.0 109.857 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 12.3 mmtt -87.15 124.36 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.822 -0.626 . . . . 1.0 111.245 -179.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.747 ' O ' HD13 ' A' ' 28' ' ' ILE . 2.7 tttm -75.25 133.03 41.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 27' ' ' LYS . 25.5 mm -141.31 142.39 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.8 mm -75.3 137.93 21.93 Favored 'Isoleucine or valine' 0 C--O 1.249 1.065 0 CA-C-O 118.236 -0.887 . . . . 1.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.778 0 O-C-N 123.533 0.521 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.809 0.338 . . . . 1.0 111.225 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -121.4 176.4 5.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' A' ' 8' ' ' THR . 49.5 mt-30 -75.62 149.21 38.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.615 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -103.31 179.59 4.23 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.427 0.632 . . . . 1.0 111.693 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.518 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 30.8 t90 -62.09 137.73 58.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.339 -0.846 . . . . 1.0 111.214 -179.866 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.455 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 1.1 mtm 86.8 -12.06 0.57 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.794 -0.639 . . . . 1.0 112.282 179.374 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -76.81 158.87 30.55 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.34 -0.544 . . . . 1.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.464 ' O ' ' NE2' ' A' ' 3' ' ' GLN . 0.9 OUTLIER -72.86 167.19 21.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.483 -0.781 . . . . 1.0 111.585 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.4 t -127.21 97.81 5.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.095 0.474 . . . . 1.0 110.146 178.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.85 -168.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.102 -179.719 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 t -47.83 -29.05 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.093 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.03 45.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.447 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' HD3' ' HG3' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -77.8 99.2 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.491 179.615 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 131.09 49.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.247 0.546 . . . . 1.0 111.793 -179.316 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.582 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -101.41 -176.2 3.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.001 179.137 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.0 m -93.07 171.35 9.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.879 0.371 . . . . 1.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.16 136.49 57.26 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.36 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.828 ' O ' HD12 ' A' ' 28' ' ' ILE . . . 97.88 -15.46 61.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 1.0 113.02 179.689 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.582 HD12 ' SG ' ' A' ' 15' ' ' CYS . 14.0 mt -110.56 156.93 20.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.088 0.47 . . . . 1.0 111.408 -179.68 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -119.46 140.9 41.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.438 179.615 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.7 49.17 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 1.0 111.803 -179.407 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -98.1 80.66 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 178.589 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.98 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 78.58 -58.18 0.44 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.371 -0.604 . . . . 1.0 109.371 -178.084 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.98 ' CH2' HD13 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -132.8 144.19 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.769 -0.651 . . . . 1.0 110.126 178.652 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.2 m -59.18 89.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.734 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' O ' HG22 ' A' ' 20' ' ' VAL . 15.8 tptt -91.36 124.8 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.064 -179.759 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 4.7 ttmm -81.33 131.92 35.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.828 HD12 ' O ' ' A' ' 18' ' ' GLY . 3.9 mp -89.06 111.22 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.08 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.7 mm -69.68 128.04 32.47 Favored 'Isoleucine or valine' 0 C--O 1.249 1.035 0 CA-C-O 118.285 -0.864 . . . . 1.0 111.088 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.25 -3.755 0 O-C-N 123.51 0.506 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.4 t80 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.811 0.339 . . . . 1.0 111.199 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 p -49.75 175.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.448 . . . . 1.0 111.413 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -72.19 139.94 48.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.58 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -99.56 178.17 4.94 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.293 0.568 . . . . 1.0 111.817 -179.413 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.543 ' O ' ' CB ' ' A' ' 6' ' ' MET . 11.7 t90 -70.14 95.57 0.99 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.341 -0.845 . . . . 1.0 110.933 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.543 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 14.5 mtp 143.63 -26.73 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.888 0.742 . . . . 1.0 110.93 179.614 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -75.29 161.38 29.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.04 0.448 . . . . 1.0 111.16 -179.481 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.27 -178.1 1.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.168 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -156.86 110.28 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.71 179.519 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.13 -166.88 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.785 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.3 p -46.99 -28.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.98 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.32 55.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.372 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -69.45 147.31 51.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.826 0.346 . . . . 1.0 110.522 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.4 105.98 11.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.706 -179.302 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.561 ' SG ' HD22 ' A' ' 19' ' ' LEU . 1.4 t -102.17 177.38 4.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.219 179.002 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 61.3 m -87.9 171.45 10.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.446 179.589 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -67.33 126.39 29.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.907 0.384 . . . . 1.0 111.238 -179.449 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.41 -0.07 40.34 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.767 -0.73 . . . . 1.0 113.118 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.561 HD22 ' SG ' ' A' ' 15' ' ' CYS . 3.2 mp -114.82 150.15 35.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.043 0.449 . . . . 1.0 111.286 -179.731 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.38 145.37 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.771 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 t -93.36 43.35 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.639 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.49 83.55 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.515 -0.55 . . . . 1.0 109.515 178.84 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.993 HD23 ' CH2' ' A' ' 24' ' ' TRP . 2.5 tp 77.96 -58.6 0.46 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.483 -0.562 . . . . 1.0 109.483 -178.451 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.993 ' CH2' HD23 ' A' ' 23' ' ' LEU . 1.3 p90 -137.41 150.1 47.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.027 178.726 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.9 m -57.75 93.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.904 0.383 . . . . 1.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.27 166.95 13.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.705 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.647 ' O ' HD13 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -92.75 115.1 27.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.415 -179.661 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.647 HD13 ' O ' ' A' ' 27' ' ' LYS . 30.5 mm -144.98 118.88 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.008 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 mm -72.86 143.14 14.21 Favored 'Isoleucine or valine' 0 C--O 1.249 1.041 0 CA-C-O 118.216 -0.897 . . . . 1.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.784 0 O-C-N 123.536 0.523 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.843 0.354 . . . . 1.0 111.23 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -121.63 174.92 6.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.057 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.434 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 14.1 mt-30 -74.96 138.92 42.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.105 179.276 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.426 ' HE2' ' CZ2' ' A' ' 7' ' ' TRP . 13.1 mtmm -97.06 -178.09 4.08 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.185 0.516 . . . . 1.0 111.548 -179.352 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.451 ' CE3' ' CG ' ' A' ' 6' ' ' MET . 20.2 t90 -59.09 138.26 57.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.533 -0.758 . . . . 1.0 111.608 -179.307 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.451 ' CG ' ' CE3' ' A' ' 5' ' ' TRP . 0.9 OUTLIER 85.33 -9.2 0.82 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.66 -0.7 . . . . 1.0 112.272 179.203 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.426 ' CZ2' ' HE2' ' A' ' 4' ' ' LYS . 17.5 m95 -77.31 162.39 27.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.28 0.562 . . . . 1.0 111.094 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.39 177.01 4.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.308 -0.86 . . . . 1.0 111.641 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 t -165.25 111.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.184 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.2 -167.81 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.609 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.7 p -46.54 -28.57 1.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.763 179.696 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.9 60.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.121 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -165.66 0.08 Allowed 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.605 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.54 96.3 4.92 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 -179.386 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 1.8 t -103.06 174.46 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.039 178.795 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.2 m -78.04 168.99 19.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.55 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -13.4 62.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.841 -179.298 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.86 21.49 45.82 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.511 -0.852 . . . . 1.0 112.136 179.607 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 5' ' ' TRP . 33.8 mt -142.69 161.35 38.31 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.127 0.489 . . . . 1.0 111.708 -179.333 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 26' ' ' LYS . 21.4 t -108.19 122.65 62.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.26 179.422 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.03 69.06 5.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.977 0.418 . . . . 1.0 112.086 -179.014 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.479 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -118.19 74.81 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.861 -0.792 . . . . 1.0 108.861 178.403 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER 87.72 -39.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 -177.595 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.452 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -138.54 -171.93 3.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.286 -0.87 . . . . 1.0 109.553 178.85 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.8 m -108.31 75.85 1.0 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 178.602 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 20' ' ' VAL . 24.8 mmtt -95.78 126.59 41.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.74 -0.664 . . . . 1.0 111.04 -179.219 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' NZ ' HD11 ' A' ' 28' ' ' ILE . 8.4 tttt -59.5 147.72 35.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 1.0 111.112 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.554 HD13 ' N ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -46.59 153.73 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.552 -179.834 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.0 mt -77.01 153.11 5.6 Favored 'Isoleucine or valine' 0 C--O 1.249 1.048 0 CA-C-O 118.263 -0.875 . . . . 1.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.807 0 O-C-N 123.517 0.511 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.804 0.335 . . . . 1.0 111.198 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -121.77 174.52 6.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 1.0 111.103 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.447 ' CG ' ' HD3' ' A' ' 13' ' ' ARG . 3.3 mt-30 -78.27 146.42 34.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.294 179.465 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 7' ' ' TRP . 17.1 mttm -103.1 -176.7 3.16 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.654 0.74 . . . . 1.0 112.264 -178.735 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.478 ' N ' HD11 ' A' ' 19' ' ' LEU . 17.2 t90 -57.01 145.61 29.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.054 -0.975 . . . . 1.0 111.129 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.461 ' HG3' ' CD2' ' A' ' 5' ' ' TRP . 0.1 OUTLIER 85.12 -14.91 0.56 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.796 -0.638 . . . . 1.0 112.368 179.406 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 4' ' ' LYS . 19.8 m95 -69.79 167.76 16.52 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.306 -0.558 . . . . 1.0 110.996 -179.876 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.3 163.61 27.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.784 -0.644 . . . . 1.0 112.221 -179.245 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.414 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 1.7 t -130.62 87.94 2.56 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.712 -0.676 . . . . 1.0 109.876 178.833 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -71.27 -174.1 0.97 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.761 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 t -51.39 -26.51 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.535 179.399 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.48 57.0 0.07 Allowed 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.925 -0.58 . . . . 1.0 111.072 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.447 ' HD3' ' CG ' ' A' ' 3' ' ' GLN . 1.4 tmm_? -68.84 153.31 44.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.554 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -97.87 89.76 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.11 0.411 . . . . 1.0 112.11 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.529 ' SG ' HD13 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -96.66 -179.39 4.58 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 178.645 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.5 m -82.16 170.79 15.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.901 0.381 . . . . 1.0 111.048 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -15.7 62.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.806 -179.401 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.87 23.26 33.75 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.572 -0.823 . . . . 1.0 112.244 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.529 HD13 ' SG ' ' A' ' 15' ' ' CYS . 24.5 mt -144.42 165.64 27.37 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.865 0.364 . . . . 1.0 111.221 -179.404 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.571 ' CG2' HD11 ' A' ' 28' ' ' ILE . 21.5 t -127.67 161.31 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.803 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.498 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -99.74 115.08 28.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.424 0.63 . . . . 1.0 111.832 -179.639 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.45 79.65 0.09 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.127 -0.942 . . . . 1.0 109.001 179.519 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 78.42 -59.92 0.41 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.994 -0.743 . . . . 1.0 108.994 -177.879 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -139.69 145.26 38.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.965 178.569 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.458 ' HB3' HD13 ' A' ' 19' ' ' LEU . 52.7 m -49.8 102.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 1.0 110.804 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.6 ' HB3' HD12 ' A' ' 28' ' ' ILE . 9.7 mmtt -90.95 130.59 36.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.977 -179.646 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 9.0 tttt -86.5 97.26 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.292 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.636 HD13 ' N ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -155.52 138.72 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.148 179.909 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.9 mt -77.2 -43.64 31.22 Favored 'Isoleucine or valine' 0 C--O 1.249 1.048 0 CA-C-O 118.257 -0.878 . . . . 1.0 111.1 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.78 0 O-C-N 123.531 0.52 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 t80 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.845 0.355 . . . . 1.0 111.188 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p -50.9 176.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.348 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.03 136.75 45.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.758 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.4 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 39.9 mttt -87.29 -174.02 4.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.116 0.484 . . . . 1.0 111.493 -179.55 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.456 ' CD1' ' CB ' ' A' ' 27' ' ' LYS . 13.2 t90 -60.83 132.05 52.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 1.0 111.299 -179.793 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.3 ttp 70.07 15.18 7.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.769 -0.651 . . . . 1.0 112.372 178.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.4 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 7.5 m0 -84.9 178.34 7.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.943 0.402 . . . . 1.0 110.783 179.541 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -70.94 146.77 49.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.294 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -152.27 106.46 3.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.658 179.429 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -70.05 -167.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.2 p -47.17 -28.34 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.05 56.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.499 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -69.43 -168.92 0.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.574 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.66 90.17 3.27 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.804 0.335 . . . . 1.0 111.754 -179.441 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -90.09 -179.01 5.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.245 179.06 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.3 m -96.04 169.45 9.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.73 145.79 33.36 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.451 -179.659 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.88 -9.3 72.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.716 . . . . 1.0 113.031 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.678 HD23 ' HA ' ' A' ' 27' ' ' LYS . 66.6 mt -110.89 153.86 24.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.008 0.432 . . . . 1.0 111.189 -179.75 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.7 t -115.17 142.29 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.614 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.33 114.83 26.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.326 0.584 . . . . 1.0 111.782 -179.478 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.37 75.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.226 -0.897 . . . . 1.0 109.081 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.682 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 79.43 -56.92 0.41 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 -177.905 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.682 ' CZ3' HD12 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -130.86 144.89 51.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.821 178.522 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.4 m -71.57 107.49 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.893 0.378 . . . . 1.0 110.971 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.38 123.37 36.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.996 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HA ' HD23 ' A' ' 19' ' ' LEU . 7.0 ttmt -84.87 81.26 8.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.838 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.627 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.3 pp -159.98 162.34 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.111 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mt -77.83 112.6 15.99 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 CA-C-O 118.235 -0.888 . . . . 1.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.787 0 O-C-N 123.527 0.517 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.94 0.4 . . . . 1.0 111.349 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.33 123.11 20.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.696 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -79.82 -175.37 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.218 0.533 . . . . 1.0 111.692 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.473 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 15.1 t90 -59.63 131.48 51.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.43 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.6 ttp 72.53 15.11 5.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.814 -0.63 . . . . 1.0 112.334 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -89.72 173.86 8.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.906 0.384 . . . . 1.0 110.869 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.36 163.61 27.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.398 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.34 112.7 0.85 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.52 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -70.21 -169.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.048 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 p -48.52 -27.69 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.213 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.7 51.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.681 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -69.09 -169.93 0.21 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.598 -0.274 . . . . 1.0 110.561 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.81 92.17 3.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 1.0 111.829 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -93.45 169.23 10.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.303 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.7 m -85.39 167.97 15.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 149.47 26.81 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.501 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.32 7.7 88.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.873 -0.68 . . . . 1.0 113.092 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 27' ' ' LYS . 78.8 mt -125.94 157.72 37.02 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.962 0.41 . . . . 1.0 111.179 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.404 HG12 ' HD3' ' A' ' 22' ' ' ARG . 20.3 t -113.28 129.83 68.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.432 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 t -87.22 51.66 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.016 0.376 . . . . 1.0 112.016 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HD3' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -103.94 80.58 1.76 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.142 -0.688 . . . . 1.0 109.142 178.419 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.747 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 79.37 -58.88 0.38 Allowed 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.346 -0.612 . . . . 1.0 109.346 -178.036 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.747 ' CZ3' HD12 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -132.62 144.53 50.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.981 178.595 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.4 ' HB3' HD13 ' A' ' 19' ' ' LEU . 54.6 m -59.89 88.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.917 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.64 118.65 20.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.473 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 17.3 tttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 p . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.983 0.421 . . . . 1.0 111.261 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -77.27 126.3 30.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.366 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HD2' ' CZ2' ' A' ' 7' ' ' TRP . 8.9 mttp -82.38 -176.78 6.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.208 0.528 . . . . 1.0 111.603 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 16.2 t90 -62.62 132.33 51.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.542 -0.754 . . . . 1.0 111.336 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.8 ttm 75.16 9.19 3.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.866 -0.606 . . . . 1.0 112.105 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.446 ' CZ2' ' HD2' ' A' ' 4' ' ' LYS . 14.7 m0 -87.65 171.21 10.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.97 0.414 . . . . 1.0 110.987 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.62 152.71 42.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.463 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.22 107.86 3.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.551 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -63.86 -168.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.962 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -47.64 -28.32 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.042 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.42 48.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.468 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -69.55 148.45 49.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.896 0.379 . . . . 1.0 110.59 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.39 104.52 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.554 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.8 t -100.36 172.07 7.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.236 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 m -88.8 166.06 14.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -60.32 136.16 57.95 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.143 -0.481 . . . . 1.0 111.424 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.47 12.79 56.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.831 -0.7 . . . . 1.0 113.127 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 27' ' ' LYS . 64.1 mt -131.82 159.76 37.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.019 0.437 . . . . 1.0 111.211 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.5 HG23 ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -117.96 137.12 52.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.326 179.704 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 t -88.76 46.58 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.186 0.439 . . . . 1.0 112.186 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.408 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -94.81 79.8 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.107 -0.701 . . . . 1.0 109.107 178.403 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.895 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 79.93 -58.26 0.35 Allowed 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.159 -0.682 . . . . 1.0 109.159 -177.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.895 ' CH2' HD13 ' A' ' 23' ' ' LEU . 1.4 p90 -134.15 148.06 50.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.654 -0.703 . . . . 1.0 109.933 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.441 ' HB3' HD13 ' A' ' 19' ' ' LEU . 28.5 m -60.49 87.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.793 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HB3' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -83.99 143.32 29.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.92 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HA ' HD23 ' A' ' 19' ' ' LEU . 6.4 tttp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.186 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 p . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 120.948 0.404 . . . . 1.0 111.051 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.429 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 20.6 mm-40 -68.06 124.96 24.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.89 -0.596 . . . . 1.0 110.089 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.429 ' HB2' ' CE2' ' A' ' 7' ' ' TRP . 49.1 mttt -79.88 -175.58 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.336 0.589 . . . . 1.0 111.892 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.469 ' CD1' ' CB ' ' A' ' 27' ' ' LYS . 16.0 t90 -61.05 131.05 49.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.364 -0.835 . . . . 1.0 111.602 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.5 ttp 65.55 16.97 10.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.758 -0.655 . . . . 1.0 112.279 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.429 ' CE2' ' HB2' ' A' ' 4' ' ' LYS . 11.3 m0 -86.01 175.22 8.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.042 0.448 . . . . 1.0 110.874 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.25 147.28 48.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.452 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.0 104.23 3.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.611 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -60.21 -165.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.5 -28.21 1.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.048 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.86 49.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.771 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.43 146.24 52.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 1.0 110.558 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.69 107.45 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.209 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 15.0 t -103.32 167.72 9.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.396 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.9 m -77.65 172.61 13.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -65.16 152.02 44.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.345 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.89 16.66 76.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.971 -0.633 . . . . 1.0 112.979 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 27' ' ' LYS . 92.4 mt -128.19 157.11 41.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.917 0.389 . . . . 1.0 111.012 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 21.0 t -117.41 132.25 67.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.746 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.9 t -85.12 55.4 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 1.0 111.943 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.74 83.26 1.72 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.905 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 75.83 -62.86 0.42 Allowed 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 -177.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.905 ' CH2' HD13 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -128.09 144.92 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.569 -0.742 . . . . 1.0 109.632 178.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 28.3 m -61.11 93.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.93 0.395 . . . . 1.0 110.954 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -78.59 119.62 22.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 1.0 111.013 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.801 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.9 0.381 . . . . 1.0 111.028 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -78.98 132.91 36.84 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.419 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.484 ' C ' HD11 ' A' ' 19' ' ' LEU . 4.5 mttp -93.0 -175.7 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.049 0.452 . . . . 1.0 111.352 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.548 ' N ' HD11 ' A' ' 19' ' ' LEU . 21.4 t90 -60.06 139.4 57.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.794 -0.639 . . . . 1.0 111.165 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.447 ' CG ' ' CE3' ' A' ' 5' ' ' TRP . 3.3 mtm 82.9 -5.07 1.29 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.85 -0.614 . . . . 1.0 111.849 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -81.43 169.36 17.27 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.008 0.432 . . . . 1.0 110.819 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.38 151.63 43.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.909 -0.587 . . . . 1.0 111.227 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.22 99.59 1.94 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.66 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.73 -167.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.766 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.9 p -47.72 -27.9 2.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.823 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.89 59.14 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.375 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -164.29 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.715 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.59 65.26 0.67 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 111.899 0.333 . . . . 1.0 111.899 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.539 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.4 t -84.1 176.64 8.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 1.0 110.223 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.5 m -83.13 169.13 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.816 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.66 -15.41 62.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.693 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.62 22.99 36.0 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.643 -0.789 . . . . 1.0 112.146 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.548 HD11 ' N ' ' A' ' 5' ' ' TRP . 20.7 mt -142.3 166.37 24.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.997 0.427 . . . . 1.0 111.381 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.72 144.96 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.431 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.94 113.98 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.352 0.596 . . . . 1.0 111.863 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.47 76.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.099 -0.955 . . . . 1.0 109.065 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.712 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 79.07 -59.85 0.38 Allowed 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.152 -0.685 . . . . 1.0 109.152 -177.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.712 ' CE3' HD12 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -129.22 144.92 51.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.707 -0.679 . . . . 1.0 109.882 178.545 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.7 m -65.83 100.77 0.58 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.907 0.384 . . . . 1.0 111.008 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -90.03 139.81 30.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.787 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HA ' HD23 ' A' ' 19' ' ' LEU . 13.1 ttmt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 120.842 0.354 . . . . 1.0 111.05 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.408 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 72.6 mt-30 -70.45 139.43 51.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.286 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.451 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 4.0 mtpm? -90.59 178.6 6.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.49 0.662 . . . . 1.0 111.91 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.466 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 16.2 t90 -62.99 137.13 58.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.158 -0.928 . . . . 1.0 111.26 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 ttm 81.3 -6.34 1.56 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.69 -0.686 . . . . 1.0 112.41 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.451 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 19.2 m0 -77.54 163.93 25.84 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.444 -0.502 . . . . 1.0 110.727 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.27 170.44 14.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.497 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 t -136.43 100.22 4.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.15 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -167.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.807 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -46.8 -29.11 1.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.978 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.88 46.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.229 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 119.78 14.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.674 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -65.24 116.06 6.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.499 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 0.8 OUTLIER -96.95 -179.21 4.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.127 179.175 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.9 m -93.26 169.69 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.972 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.95 143.38 43.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.436 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.44 -8.85 79.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.846 -0.692 . . . . 1.0 113.022 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.561 HD23 ' HA ' ' A' ' 27' ' ' LYS . 59.2 mt -115.29 152.64 32.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.052 0.453 . . . . 1.0 111.386 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -115.46 136.58 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.325 179.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -87.33 53.04 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 1.0 111.909 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.3 84.37 2.32 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.2 -0.667 . . . . 1.0 109.2 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.82 -59.58 0.44 Allowed 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -135.19 143.68 46.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.629 -0.714 . . . . 1.0 109.908 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.8 m -57.68 89.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.973 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -90.56 134.36 34.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.913 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.204 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.521 -0.155 0 CA-C-O 120.99 0.424 . . . . 1.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.451 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -73.7 138.11 44.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.239 179.368 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.418 ' O ' ' CD1' ' A' ' 7' ' ' TRP . 4.3 mtmp? -99.41 -178.58 3.95 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.383 0.611 . . . . 1.0 111.702 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.468 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 18.4 t90 -59.85 139.92 56.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.127 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.464 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 88.03 -11.66 0.48 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.752 -0.658 . . . . 1.0 112.037 179.5 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.418 ' CD1' ' O ' ' A' ' 4' ' ' LYS . 10.7 m95 -78.48 159.32 28.3 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.209 0.528 . . . . 1.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.88 164.0 27.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.654 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 t -133.21 98.15 4.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.157 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -166.92 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.754 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.8 p -47.07 -28.51 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.978 -0.556 . . . . 1.0 111.002 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.13 57.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.255 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.57 123.68 21.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.697 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 89.07 0.36 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.585 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.469 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.6 t -89.22 175.66 7.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.134 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.6 m -80.47 169.81 17.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.771 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.58 -15.53 62.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.746 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.91 21.88 42.52 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.502 -0.856 . . . . 1.0 112.106 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.469 HD13 ' SG ' ' A' ' 15' ' ' CYS . 23.5 mt -143.34 163.43 33.04 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.063 0.458 . . . . 1.0 111.465 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -119.62 135.79 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.258 179.51 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -87.13 56.78 4.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 1.0 111.907 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -107.17 84.27 1.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.169 -0.678 . . . . 1.0 109.169 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.965 HD23 ' CH2' ' A' ' 24' ' ' TRP . 1.6 tp 76.73 -61.16 0.45 Allowed 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.046 -0.724 . . . . 1.0 109.046 -177.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.965 ' CH2' HD23 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -133.12 144.21 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.601 -0.727 . . . . 1.0 109.78 178.289 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.0 m -57.78 94.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.4 ' HB2' HG23 ' A' ' 20' ' ' VAL . 1.8 mmtp -94.31 143.1 26.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 9.6 tttm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.298 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 120.929 0.395 . . . . 1.0 111.043 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -86.27 141.77 29.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.643 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -95.51 -175.72 3.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.381 0.61 . . . . 1.0 112.0 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.54 ' HB2' HD21 ' A' ' 19' ' ' LEU . 17.9 t90 -55.56 143.18 30.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.329 -0.85 . . . . 1.0 111.354 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.428 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 84.19 -11.98 0.81 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.81 -0.632 . . . . 1.0 112.199 179.392 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -77.26 168.06 20.68 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.829 0.347 . . . . 1.0 110.683 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.32 171.32 11.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -161.11 104.95 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.997 0.427 . . . . 1.0 111.116 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -70.07 -165.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.589 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 m -46.28 -28.65 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.056 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.26 59.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.542 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -69.71 162.92 26.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.803 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 95.79 10.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.779 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.36 177.13 5.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.22 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.1 m -98.65 171.95 7.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.911 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -58.29 147.36 31.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.261 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.94 -4.63 82.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.852 -0.689 . . . . 1.0 113.004 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' A' ' 5' ' ' TRP . 53.7 mt -116.31 152.03 34.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.991 0.424 . . . . 1.0 111.167 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 t -120.82 151.03 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.774 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 t -97.58 116.82 30.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.388 0.613 . . . . 1.0 111.846 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -170.28 77.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.034 -0.985 . . . . 1.0 108.689 179.548 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.418 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.2 mt 80.93 -57.31 0.3 Allowed 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.729 -0.841 . . . . 1.0 108.729 -177.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -136.74 148.71 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.877 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.8 m -62.75 92.57 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.883 0.373 . . . . 1.0 110.447 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -71.83 164.42 26.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.949 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 tttp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.133 -179.75 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.889 0.376 . . . . 1.0 111.054 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -71.63 150.17 44.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.427 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.447 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 9.7 mtpp -98.57 -178.92 4.15 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.29 0.567 . . . . 1.0 111.664 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.542 ' HD1' HD22 ' A' ' 19' ' ' LEU . 27.5 t90 -63.72 135.13 56.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.408 -0.814 . . . . 1.0 111.416 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.447 ' HG3' ' CE3' ' A' ' 5' ' ' TRP . 2.3 mtm 76.48 2.16 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 1.0 112.266 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.447 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 19.6 m0 -81.47 166.82 20.0 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.185 0.517 . . . . 1.0 111.242 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.03 164.3 26.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.404 -0.816 . . . . 1.0 111.906 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.4 t -154.77 122.43 5.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.125 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.47 -167.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.811 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -47.16 -28.01 1.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.843 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.03 60.3 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.423 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -68.88 -163.45 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.689 0.28 . . . . 1.0 110.531 179.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.93 101.43 4.58 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.86 0.362 . . . . 1.0 111.28 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -93.73 179.87 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.494 179.506 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.5 m -90.62 169.74 10.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.589 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -55.93 145.56 24.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.964 0.411 . . . . 1.0 111.228 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.36 -21.23 36.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.87 -0.681 . . . . 1.0 112.972 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.542 HD22 ' HD1' ' A' ' 5' ' ' TRP . 15.3 mt -107.72 153.09 23.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.075 0.464 . . . . 1.0 111.364 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.937 HG12 ' O ' ' A' ' 26' ' ' LYS . 10.9 p -110.98 133.73 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.168 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -93.42 56.41 2.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 1.0 112.05 -178.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -103.75 74.39 1.23 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 178.575 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.7 tp 86.5 -37.72 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.519 -178.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.449 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -138.11 -170.92 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.423 -0.808 . . . . 1.0 109.781 178.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.1 m -110.54 76.79 1.0 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.937 ' O ' HG12 ' A' ' 20' ' ' VAL . 18.5 mmtt -93.04 128.22 38.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.869 -0.605 . . . . 1.0 111.546 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 7.1 tttm . . . . . 0 N--CA 1.452 -0.36 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.758 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.983 0.42 . . . . 1.0 111.083 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 8' ' ' THR . 4.5 pt20 -85.44 141.16 30.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.249 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 15.9 mtmt -87.16 -178.9 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.393 0.616 . . . . 1.0 111.922 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.467 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 57.0 t90 -58.59 141.25 52.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.298 -0.865 . . . . 1.0 111.592 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.0 mtp 75.69 -1.93 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.0 0.741 . . . . 1.0 113.0 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.408 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 31.3 m95 -78.29 165.25 24.09 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 120.209 -0.596 . . . . 1.0 110.924 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.449 ' O ' ' NE2' ' A' ' 3' ' ' GLN . 2.8 p -72.26 143.99 48.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.373 -0.83 . . . . 1.0 111.713 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 t -119.8 100.0 6.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.565 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -64.72 -166.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.9 p -47.06 -28.64 1.78 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.252 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.07 48.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.647 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HB3' ' OE1' ' A' ' 3' ' ' GLN . 2.4 mmp_? -71.19 120.91 17.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.703 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -64.52 122.72 17.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.978 0.418 . . . . 1.0 111.424 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' HA ' ' HG3' ' A' ' 3' ' ' GLN . 9.9 t -102.85 167.44 9.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.426 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.6 m -82.95 171.5 13.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.01 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.43 157.15 9.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.484 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.17 15.65 65.67 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.861 -0.608 . . . . 1.0 112.961 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.814 HD23 ' HA ' ' A' ' 27' ' ' LYS . 96.0 mt -132.52 159.1 40.41 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.953 0.406 . . . . 1.0 111.224 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.9 t -127.39 137.56 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.856 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.64 110.76 20.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.247 0.546 . . . . 1.0 111.632 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.25 81.26 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.262 -0.881 . . . . 1.0 109.079 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 77.25 -59.39 0.47 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.837 -0.801 . . . . 1.0 108.837 -177.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.407 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 0.4 OUTLIER -134.47 145.04 48.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.496 -0.775 . . . . 1.0 109.643 178.229 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.416 ' SG ' ' NE2' ' A' ' 3' ' ' GLN . 8.2 m -65.14 93.16 0.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.946 0.403 . . . . 1.0 110.947 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.96 118.12 12.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.815 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.814 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.867 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.463 0.211 0 CA-C-O 121.055 0.455 . . . . 1.0 111.333 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.46 144.41 53.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.714 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp -93.56 -176.73 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.219 0.533 . . . . 1.0 111.581 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.425 ' CE2' ' HG3' ' A' ' 6' ' ' MET . 36.1 t90 -62.23 137.37 58.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.656 -0.702 . . . . 1.0 111.316 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.425 ' HG3' ' CE2' ' A' ' 5' ' ' TRP . 80.5 mtp 67.36 9.23 6.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.693 -0.685 . . . . 1.0 112.41 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -82.39 173.42 12.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.002 0.429 . . . . 1.0 110.989 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.43 159.52 34.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.639 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.97 116.72 2.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.452 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.42 -169.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 t -47.69 -27.98 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.778 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.26 58.43 0.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.284 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -164.74 0.05 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.58 -0.282 . . . . 1.0 110.502 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.16 92.22 3.34 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.849 0.356 . . . . 1.0 111.43 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' SG ' HD12 ' A' ' 19' ' ' LEU . 1.7 t -91.95 176.98 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.394 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.8 m -88.92 168.85 12.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.513 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.58 145.65 38.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.942 0.401 . . . . 1.0 111.195 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.37 -15.3 58.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.869 -0.682 . . . . 1.0 113.16 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.478 HD12 ' SG ' ' A' ' 15' ' ' CYS . 49.2 mt -107.08 150.9 26.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.151 0.5 . . . . 1.0 111.44 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 26' ' ' LYS . 27.3 t -105.34 128.61 59.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.401 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.3 t -91.74 54.4 2.45 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.217 0.451 . . . . 1.0 112.217 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.43 78.09 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 178.542 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER 84.66 -44.51 0.08 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 -177.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.452 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -132.31 -171.89 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.253 178.619 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.3 m -107.92 73.17 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.053 0.454 . . . . 1.0 109.811 178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.543 ' O ' HG23 ' A' ' 20' ' ' VAL . 11.0 mmtm -94.48 125.99 39.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.85 -0.613 . . . . 1.0 111.348 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.145 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p . . . . . 0 CA--C 1.521 -0.151 0 CA-C-O 120.926 0.393 . . . . 1.0 111.067 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.424 ' OE1' ' HB3' ' A' ' 7' ' ' TRP . 8.7 mt-30 -76.48 147.16 38.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.187 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 7' ' ' TRP . 13.4 mttt -104.04 -179.55 3.98 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.573 0.701 . . . . 1.0 112.195 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.475 ' N ' HD11 ' A' ' 19' ' ' LEU . 16.0 t90 -59.18 142.45 51.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.111 -0.95 . . . . 1.0 111.215 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.443 ' HG3' ' CD2' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 85.8 -13.42 0.6 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.718 -0.674 . . . . 1.0 112.22 179.399 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.424 ' HB3' ' OE1' ' A' ' 3' ' ' GLN . 14.9 m95 -70.01 168.43 15.45 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 120.469 -0.492 . . . . 1.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.08 164.13 26.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.997 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.3 t -131.16 92.46 3.2 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.123 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -71.11 -173.91 0.9 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.788 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 p -51.38 -26.64 8.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.642 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.2 56.05 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.028 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -68.95 147.85 51.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.66 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.27 103.61 15.63 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.448 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -104.86 178.16 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.167 179.276 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.5 m -78.2 171.5 14.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.526 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.5 -13.72 62.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.857 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.26 23.03 37.86 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.516 -0.85 . . . . 1.0 112.048 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 27' ' ' LYS . 36.9 mt -146.02 164.17 32.92 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.003 0.43 . . . . 1.0 111.569 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.92 166.6 27.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.515 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.49 116.85 33.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.32 0.581 . . . . 1.0 111.824 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.55 81.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.216 -0.902 . . . . 1.0 108.875 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.996 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.6 OUTLIER 76.75 -60.84 0.46 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.607 -0.886 . . . . 1.0 108.607 -177.489 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.996 ' CH2' HD13 ' A' ' 23' ' ' LEU . 1.2 p90 -137.14 147.79 46.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.533 -0.758 . . . . 1.0 109.687 177.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.401 ' HB3' HD13 ' A' ' 19' ' ' LEU . 4.5 m -51.36 96.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.887 0.375 . . . . 1.0 110.616 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 138.64 32.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.206 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HA ' HD23 ' A' ' 19' ' ' LEU . 1.1 ttpm? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.536 . . . . 1.0 111.18 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 120.994 0.426 . . . . 1.0 111.138 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -71.21 146.1 49.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.414 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.451 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 2.2 mtpm? -94.76 -179.45 4.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.451 0.644 . . . . 1.0 111.858 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.489 ' HD1' HD22 ' A' ' 19' ' ' LEU . 27.7 t90 -64.58 133.89 53.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.329 -0.85 . . . . 1.0 111.503 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.444 ' HG3' ' CE3' ' A' ' 5' ' ' TRP . 0.8 OUTLIER 76.2 1.73 3.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.766 -0.652 . . . . 1.0 112.295 179.171 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.451 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 17.3 m0 -81.9 166.36 19.98 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.209 0.528 . . . . 1.0 111.054 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.91 162.05 30.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.466 -0.788 . . . . 1.0 111.484 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.412 ' HA ' ' HB3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -138.61 100.24 4.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.481 179.175 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -57.61 -167.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.994 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.39 -29.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.959 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.07 45.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.342 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HB3' ' HA ' ' A' ' 9' ' ' CYS . 8.1 tpm_? -70.39 103.72 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.506 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 121.02 9.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.652 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.488 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -97.44 178.86 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.163 179.164 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -87.78 169.99 11.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.76 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.21 131.2 48.63 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.449 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.98 -7.89 53.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 1.0 113.233 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.489 HD22 ' HD1' ' A' ' 5' ' ' TRP . 47.9 mt -114.55 151.33 33.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.12 0.486 . . . . 1.0 111.496 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 26' ' ' LYS . 20.5 t -105.63 127.96 60.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.613 -0.722 . . . . 1.0 110.294 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.2 t -90.82 45.57 1.26 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.2 0.444 . . . . 1.0 112.2 -178.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -90.88 73.81 6.52 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 178.544 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER 87.23 -44.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.796 -0.638 . . . . 1.0 109.336 -177.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.451 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -129.54 -169.81 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.369 -0.832 . . . . 1.0 109.243 178.65 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.2 m -111.27 73.81 0.84 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.996 0.427 . . . . 1.0 109.993 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 10.6 mmtp -94.1 128.05 40.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.151 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.017 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.011 0.434 . . . . 1.0 111.083 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.445 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 13.6 pt20 -86.31 147.54 26.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.445 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -84.99 178.74 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 1.0 112.191 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.563 ' HB2' HD21 ' A' ' 19' ' ' LEU . 66.7 t90 -58.19 145.45 37.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.964 -1.016 . . . . 1.0 111.375 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' A' ' 5' ' ' TRP . 2.2 mmm 71.35 0.75 3.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.477 -0.783 . . . . 1.0 112.883 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -76.82 166.56 23.19 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 120.159 -0.616 . . . . 1.0 110.815 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p -71.88 145.73 48.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.59 -0.732 . . . . 1.0 111.51 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.75 106.81 9.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.803 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.62 -166.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.746 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -46.71 -28.52 1.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.014 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.67 55.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.464 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -69.67 164.96 22.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.533 -0.303 . . . . 1.0 110.642 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.53 110.34 22.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.003 0.43 . . . . 1.0 111.843 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' HA ' ' HG3' ' A' ' 3' ' ' GLN . 13.6 t -102.08 167.14 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.119 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.56 171.99 14.33 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.043 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.53 159.85 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.375 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.49 11.46 62.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.981 -0.628 . . . . 1.0 112.973 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 5' ' ' TRP . 68.0 mt -129.19 157.14 42.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.913 0.387 . . . . 1.0 111.11 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 20.9 t -120.04 149.4 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.3 t -92.41 42.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.008 0.373 . . . . 1.0 112.008 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.38 79.83 4.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.86 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 4.3 tp 77.83 -59.14 0.45 Allowed 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.86 ' CZ3' HD23 ' A' ' 23' ' ' LEU . 2.4 p90 -132.58 154.4 50.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.658 -0.701 . . . . 1.0 109.807 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 47.7 m -59.63 88.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.935 0.398 . . . . 1.0 110.865 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.07 122.16 26.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.995 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 10.7 tttp . . . . . 0 N--CA 1.452 -0.353 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.645 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.967 0.413 . . . . 1.0 111.327 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -74.91 139.05 42.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.457 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.424 ' HE3' ' CZ2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -99.29 -179.24 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.271 0.558 . . . . 1.0 111.518 -179.619 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.466 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 28.5 t90 -62.61 137.7 58.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.522 -0.763 . . . . 1.0 111.235 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.442 ' CG ' ' CE3' ' A' ' 5' ' ' TRP . 3.3 mtp 86.04 -11.85 0.65 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.792 -0.64 . . . . 1.0 112.005 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.424 ' CZ2' ' HE3' ' A' ' 4' ' ' LYS . 31.0 m95 -80.95 162.19 23.98 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.141 0.496 . . . . 1.0 111.061 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.02 170.26 14.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.511 -0.768 . . . . 1.0 111.498 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.78 111.19 3.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.39 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -60.46 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.1 -28.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.889 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.75 49.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.332 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -69.34 150.64 47.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.866 0.365 . . . . 1.0 110.563 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -79.75 117.84 21.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.216 0.531 . . . . 1.0 112.085 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' SG ' HD12 ' A' ' 19' ' ' LEU . 1.6 t -110.79 -179.23 3.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.557 -0.747 . . . . 1.0 110.06 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.8 m -95.65 168.06 10.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.803 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -59.14 132.37 53.82 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.348 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.98 -9.16 58.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 1.0 113.082 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD12 ' SG ' ' A' ' 15' ' ' CYS . 63.7 mt -113.35 152.77 29.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.978 0.418 . . . . 1.0 111.28 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -113.6 140.95 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.426 179.723 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.8 t -89.7 46.37 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.048 0.388 . . . . 1.0 112.048 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.83 83.7 3.75 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.373 -0.602 . . . . 1.0 109.373 178.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.37 -60.51 0.44 Allowed 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.407 -0.59 . . . . 1.0 109.407 -178.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -132.92 145.58 51.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.711 -0.677 . . . . 1.0 109.929 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 8.3 m -59.65 95.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.917 0.389 . . . . 1.0 110.82 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.501 ' O ' HG22 ' A' ' 20' ' ' VAL . 1.8 tptm -102.86 145.27 30.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.003 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 4.4 tttp . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.344 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.98 0.419 . . . . 1.0 110.969 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -70.87 142.6 51.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.297 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.423 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 5.4 mtpt -99.24 179.22 4.66 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.433 0.635 . . . . 1.0 111.939 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.473 ' O ' ' CB ' ' A' ' 6' ' ' MET . 15.1 t90 -62.37 135.81 57.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.196 -0.911 . . . . 1.0 111.207 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.473 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 1.1 tmm? 87.57 -13.26 0.47 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.745 -0.661 . . . . 1.0 112.246 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.423 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 24.1 m95 -78.99 161.62 26.51 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.501 -0.48 . . . . 1.0 110.864 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.15 -178.43 2.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.656 -0.702 . . . . 1.0 111.39 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -152.89 103.59 2.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.432 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.25 -167.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.011 -0.54 . . . . 1.0 111.042 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.5 p -46.41 -29.04 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.08 45.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.413 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -69.89 120.59 15.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.447 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -63.53 124.11 20.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.133 0.492 . . . . 1.0 111.834 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -107.44 -178.09 3.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.801 -0.636 . . . . 1.0 109.973 179.033 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.0 m -95.04 168.62 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -57.98 137.92 56.37 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.484 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.59 -6.57 67.88 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.807 -0.711 . . . . 1.0 113.159 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.43 HD21 ' HB2' ' A' ' 5' ' ' TRP . 55.8 mt -116.18 152.27 34.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.05 0.453 . . . . 1.0 111.407 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.64 HG12 ' HD3' ' A' ' 22' ' ' ARG . 19.7 t -112.52 139.4 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.436 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.7 t -89.79 44.52 1.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.122 0.416 . . . . 1.0 112.122 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.64 ' HD3' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -92.14 81.13 5.03 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 178.533 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 78.84 -59.07 0.41 Allowed 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 -178.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -133.68 144.81 49.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.997 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 30.4 m -57.99 89.47 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.95 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -85.99 145.22 27.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.94 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 12.2 tttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.075 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.936 0.398 . . . . 1.0 110.974 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -72.93 143.08 47.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.714 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.435 ' HZ3' ' HE1' ' A' ' 7' ' ' TRP . 31.0 mtmm -102.87 -178.82 3.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.158 0.504 . . . . 1.0 111.558 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.519 ' O ' ' CB ' ' A' ' 6' ' ' MET . 7.9 t90 -69.17 89.42 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.994 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.519 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 149.0 -24.73 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 O-C-N 123.547 0.529 . . . . 1.0 111.419 179.4 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.435 ' HE1' ' HZ3' ' A' ' 4' ' ' LYS . 32.8 m95 -69.47 170.52 10.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.054 0.454 . . . . 1.0 111.408 -179.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.09 -176.19 1.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.594 -0.73 . . . . 1.0 111.299 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -150.61 97.15 2.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.338 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -70.26 -169.19 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.759 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.1 t -47.9 -28.68 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.035 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.43 55.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -69.79 144.38 52.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.816 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.41 108.99 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.465 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.462 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -102.59 179.72 4.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.45 179.477 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.0 m -95.71 167.75 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.487 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -57.89 145.55 35.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.926 0.393 . . . . 1.0 111.127 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.03 -11.0 66.21 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.856 -0.688 . . . . 1.0 113.167 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 5' ' ' TRP . 51.2 mt -105.68 150.72 25.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.128 0.489 . . . . 1.0 111.31 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -119.14 150.05 21.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.803 -179.815 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.48 113.81 25.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.316 0.579 . . . . 1.0 111.62 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.33 86.67 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.22 -0.9 . . . . 1.0 108.919 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.78 -59.33 0.45 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.804 -0.813 . . . . 1.0 108.804 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -143.28 144.04 31.96 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.513 -0.767 . . . . 1.0 109.772 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 7' ' ' TRP . 4.5 m -55.5 98.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.91 0.386 . . . . 1.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HB2' HG23 ' A' ' 20' ' ' VAL . 4.4 mmtm -81.65 165.49 21.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.713 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 9.6 tttm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 1.0 111.457 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.918 0.39 . . . . 1.0 111.017 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.58 144.05 46.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.727 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.427 ' HA ' HD11 ' A' ' 19' ' ' LEU . 12.1 mttp -103.98 177.79 4.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.351 0.596 . . . . 1.0 111.842 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.508 ' O ' ' CB ' ' A' ' 6' ' ' MET . 7.5 t90 -66.89 89.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.2 -0.909 . . . . 1.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.508 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 152.55 -31.89 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.435 0.46 . . . . 1.0 111.166 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.413 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 28.8 m95 -75.44 160.22 30.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.052 0.454 . . . . 1.0 111.331 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.19 -175.86 1.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.66 111.06 3.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.679 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.37 -168.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.728 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.9 t -47.04 -28.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.979 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.23 52.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.271 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -69.54 150.05 47.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.718 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -80.77 117.06 21.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.278 0.561 . . . . 1.0 112.037 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.539 ' SG ' HD12 ' A' ' 19' ' ' LEU . 1.6 t -111.99 177.5 4.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.419 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.2 m -94.22 166.91 11.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.336 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -57.42 145.43 32.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.014 0.435 . . . . 1.0 111.177 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.62 -7.86 77.64 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.862 -0.685 . . . . 1.0 113.289 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.539 HD12 ' SG ' ' A' ' 15' ' ' CYS . 44.1 mt -107.87 150.68 26.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.16 0.505 . . . . 1.0 111.402 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 20.7 t -113.0 141.8 27.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.932 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -90.6 39.72 0.99 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.867 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.38 84.95 6.46 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.943 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 78.09 -58.05 0.46 Allowed 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.423 -0.584 . . . . 1.0 109.423 -178.263 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.943 ' CH2' HD13 ' A' ' 23' ' ' LEU . 2.6 p90 -138.85 151.78 47.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.827 -0.624 . . . . 1.0 109.998 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 17.8 m -60.17 89.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 1.0 110.723 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -84.14 170.47 13.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.657 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 15.9 tttt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.136 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.852 0.358 . . . . 1.0 111.042 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.416 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 14.5 mm-40 -71.96 145.24 48.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.563 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.412 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 4.2 mtpm? -105.18 -179.49 3.96 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.369 0.604 . . . . 1.0 111.508 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.467 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 21.3 t90 -62.22 137.69 58.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.479 -0.782 . . . . 1.0 111.16 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.448 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 1.2 mtp 87.38 -12.92 0.49 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.748 -0.66 . . . . 1.0 112.096 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.412 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 22.1 m95 -81.75 159.43 23.86 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.256 0.55 . . . . 1.0 111.233 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.19 -178.47 2.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.328 -0.851 . . . . 1.0 111.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.28 110.92 3.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.667 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.83 -168.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.766 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.6 p -47.13 -28.52 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.001 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.24 49.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.264 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HG2' ' HG3' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -69.61 133.35 47.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.853 0.358 . . . . 1.0 110.714 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -73.96 121.84 21.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.113 0.482 . . . . 1.0 111.753 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' SG ' HD12 ' A' ' 19' ' ' LEU . 1.3 t -106.37 179.45 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.183 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.9 m -92.77 169.31 10.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.717 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -60.16 133.0 55.67 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.364 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.98 -13.93 57.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 1.0 113.0 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.415 HD12 ' SG ' ' A' ' 15' ' ' CYS . 44.2 mt -110.48 151.27 27.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.047 0.451 . . . . 1.0 111.367 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -111.72 136.14 48.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.649 . . . . 1.0 110.064 179.308 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.0 t -90.39 46.29 1.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.505 . . . . 1.0 112.084 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -89.67 70.39 7.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 178.715 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 3.1 tp 86.7 -39.41 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.637 -0.71 . . . . 1.0 109.457 -178.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.456 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.23 -168.89 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.397 -0.82 . . . . 1.0 109.494 178.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.05 81.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.105 -0.702 . . . . 1.0 109.105 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.65 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.9 mmtp -96.16 142.46 28.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.885 -0.598 . . . . 1.0 111.671 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 3.1 tttp . . . . . 0 N--CA 1.453 -0.312 0 CA-C-N 116.079 -0.51 . . . . 1.0 111.098 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 120.92 0.391 . . . . 1.0 111.075 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -75.71 149.14 38.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.337 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.449 ' CE ' ' CZ2' ' A' ' 7' ' ' TRP . 26.8 mtmt -99.41 179.27 4.62 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.365 0.602 . . . . 1.0 111.772 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.626 ' HD1' HD22 ' A' ' 19' ' ' LEU . 24.0 t90 -63.74 134.9 56.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.334 -0.848 . . . . 1.0 111.431 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.434 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 3.1 mtp 85.15 -8.28 0.87 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.691 -0.686 . . . . 1.0 112.37 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.449 ' CZ2' ' CE ' ' A' ' 4' ' ' LYS . 22.9 m95 -82.44 160.81 22.64 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 121.36 0.6 . . . . 1.0 111.239 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 p -72.36 179.32 3.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.204 -0.907 . . . . 1.0 111.492 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.8 99.05 3.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.269 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -56.88 -167.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.152 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -46.32 -28.95 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.66 44.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.507 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -76.57 89.21 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.376 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -53.91 128.63 30.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.647 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -94.21 -178.45 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.112 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -90.2 169.75 10.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.727 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.98 133.65 56.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.399 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.38 -14.06 56.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 1.0 113.033 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.626 HD22 ' HD1' ' A' ' 5' ' ' TRP . 26.0 mt -114.0 152.8 30.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.163 0.506 . . . . 1.0 111.588 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.2 t -105.34 129.05 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.362 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 t -91.33 44.93 1.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.982 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -90.44 75.16 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 178.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 2.9 tp 86.21 -44.74 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.423 -178.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.455 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -130.62 -170.03 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.368 -0.833 . . . . 1.0 109.3 178.674 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.8 m -110.2 75.33 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 11.4 mmtp -95.92 122.51 38.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.282 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 tttt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 1.0 111.147 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 120.931 0.396 . . . . 1.0 111.028 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.405 ' HG2' ' HG3' ' A' ' 13' ' ' ARG . 31.0 mm-40 -67.92 147.57 52.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.199 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.448 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 3.0 mtpm? -95.77 -179.41 4.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.386 0.612 . . . . 1.0 111.918 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.482 ' HD1' HD22 ' A' ' 19' ' ' LEU . 28.4 t90 -64.28 133.26 52.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.265 -0.879 . . . . 1.0 111.482 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.449 ' HG3' ' CE3' ' A' ' 5' ' ' TRP . 3.3 mtm 76.81 1.69 3.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.809 -0.632 . . . . 1.0 112.332 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.448 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 17.0 m0 -81.73 166.42 20.09 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.186 0.517 . . . . 1.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.97 159.68 33.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.509 -0.768 . . . . 1.0 111.862 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.5 t -133.1 96.14 3.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.064 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.91 -168.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.101 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 p -46.82 -29.27 1.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.47 44.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.398 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HG3' ' HG2' ' A' ' 3' ' ' GLN . 2.4 tpm_? -74.97 93.46 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.421 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 127.11 21.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.198 0.523 . . . . 1.0 111.567 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -101.97 178.84 4.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.196 179.374 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.9 m -88.23 169.25 12.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.404 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.38 150.87 21.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.005 0.431 . . . . 1.0 111.279 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.12 -7.14 68.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.949 -0.643 . . . . 1.0 113.401 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.482 HD22 ' HD1' ' A' ' 5' ' ' TRP . 43.4 mt -113.15 150.61 31.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.15 0.5 . . . . 1.0 111.554 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 24' ' ' TRP . 25.6 t -108.53 128.54 64.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.258 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.34 46.38 1.34 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.289 0.477 . . . . 1.0 112.289 -178.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -92.65 73.56 5.04 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 178.533 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.47 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.2 tt 87.4 -41.01 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.859 -0.609 . . . . 1.0 109.486 -178.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.455 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.86 -169.53 2.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.299 -0.864 . . . . 1.0 109.204 178.765 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.4 m -109.5 69.31 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.034 0.445 . . . . 1.0 109.857 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 12.3 mmtt -87.15 124.36 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.822 -0.626 . . . . 1.0 111.245 -179.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 2.7 tttm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.911 0.386 . . . . 1.0 111.055 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.43 ' NE2' ' HB3' ' A' ' 13' ' ' ARG . 14.9 mt-30 -75.62 149.21 38.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.615 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -103.31 179.59 4.23 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.427 0.632 . . . . 1.0 111.693 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.518 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 30.8 t90 -62.09 137.73 58.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.339 -0.846 . . . . 1.0 111.214 -179.866 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.455 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 1.1 mtm 86.8 -12.06 0.57 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.794 -0.639 . . . . 1.0 112.282 179.374 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -76.81 158.87 30.55 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.34 -0.544 . . . . 1.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.86 167.19 21.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.483 -0.781 . . . . 1.0 111.585 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.4 t -127.21 97.81 5.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.095 0.474 . . . . 1.0 110.146 178.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.85 -168.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.102 -179.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 t -47.83 -29.05 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.093 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.03 45.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.447 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HB3' ' NE2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -77.8 99.2 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.491 179.615 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 131.09 49.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.247 0.546 . . . . 1.0 111.793 -179.316 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.582 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -101.41 -176.2 3.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.001 179.137 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.0 m -93.07 171.35 9.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.879 0.371 . . . . 1.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.16 136.49 57.26 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.36 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.88 -15.46 61.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 1.0 113.02 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.582 HD12 ' SG ' ' A' ' 15' ' ' CYS . 14.0 mt -110.56 156.93 20.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.088 0.47 . . . . 1.0 111.408 -179.68 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -119.46 140.9 41.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.438 179.615 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.7 49.17 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 1.0 111.803 -179.407 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -98.1 80.66 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 178.589 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.98 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 78.58 -58.18 0.44 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.371 -0.604 . . . . 1.0 109.371 -178.084 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.98 ' CH2' HD13 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -132.8 144.19 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.769 -0.651 . . . . 1.0 110.126 178.652 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.2 m -59.18 89.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.734 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' O ' HG22 ' A' ' 20' ' ' VAL . 15.8 tptt -91.36 124.8 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.064 -179.759 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 4.7 ttmm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.462 0.14 0 CA-C-O 120.978 0.418 . . . . 1.0 111.413 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -72.19 139.94 48.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.58 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -99.56 178.17 4.94 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.293 0.568 . . . . 1.0 111.817 -179.413 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.543 ' O ' ' CB ' ' A' ' 6' ' ' MET . 11.7 t90 -70.14 95.57 0.99 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.341 -0.845 . . . . 1.0 110.933 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.543 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 14.5 mtp 143.63 -26.73 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.888 0.742 . . . . 1.0 110.93 179.614 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -75.29 161.38 29.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.04 0.448 . . . . 1.0 111.16 -179.481 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.27 -178.1 1.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.168 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -156.86 110.28 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.71 179.519 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.13 -166.88 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.785 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.3 p -46.99 -28.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.98 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.32 55.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.372 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -69.45 147.31 51.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.826 0.346 . . . . 1.0 110.522 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.4 105.98 11.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.706 -179.302 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.561 ' SG ' HD22 ' A' ' 19' ' ' LEU . 1.4 t -102.17 177.38 4.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.219 179.002 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 61.3 m -87.9 171.45 10.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.446 179.589 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -67.33 126.39 29.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.907 0.384 . . . . 1.0 111.238 -179.449 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.41 -0.07 40.34 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.767 -0.73 . . . . 1.0 113.118 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.561 HD22 ' SG ' ' A' ' 15' ' ' CYS . 3.2 mp -114.82 150.15 35.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.043 0.449 . . . . 1.0 111.286 -179.731 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.38 145.37 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.771 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 t -93.36 43.35 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.639 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.49 83.55 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.515 -0.55 . . . . 1.0 109.515 178.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.993 HD23 ' CH2' ' A' ' 24' ' ' TRP . 2.5 tp 77.96 -58.6 0.46 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.483 -0.562 . . . . 1.0 109.483 -178.451 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.993 ' CH2' HD23 ' A' ' 23' ' ' LEU . 1.3 p90 -137.41 150.1 47.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.027 178.726 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.9 m -57.75 93.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.904 0.383 . . . . 1.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.27 166.95 13.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.705 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.415 -179.661 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.521 -0.156 0 CA-C-O 120.989 0.423 . . . . 1.0 111.057 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.434 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 14.1 mt-30 -74.96 138.92 42.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.105 179.276 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.426 ' HE2' ' CZ2' ' A' ' 7' ' ' TRP . 13.1 mtmm -97.06 -178.09 4.08 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.185 0.516 . . . . 1.0 111.548 -179.352 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.451 ' CE3' ' CG ' ' A' ' 6' ' ' MET . 20.2 t90 -59.09 138.26 57.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.533 -0.758 . . . . 1.0 111.608 -179.307 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.451 ' CG ' ' CE3' ' A' ' 5' ' ' TRP . 0.9 OUTLIER 85.33 -9.2 0.82 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.66 -0.7 . . . . 1.0 112.272 179.203 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.426 ' CZ2' ' HE2' ' A' ' 4' ' ' LYS . 17.5 m95 -77.31 162.39 27.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.28 0.562 . . . . 1.0 111.094 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.39 177.01 4.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.308 -0.86 . . . . 1.0 111.641 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 t -165.25 111.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.184 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.2 -167.81 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.609 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.7 p -46.54 -28.57 1.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.763 179.696 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.9 60.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.121 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -165.66 0.08 Allowed 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.605 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.54 96.3 4.92 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 -179.386 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 1.8 t -103.06 174.46 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.039 178.795 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.2 m -78.04 168.99 19.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.55 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -13.4 62.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.841 -179.298 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.86 21.49 45.82 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.511 -0.852 . . . . 1.0 112.136 179.607 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 5' ' ' TRP . 33.8 mt -142.69 161.35 38.31 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.127 0.489 . . . . 1.0 111.708 -179.333 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 26' ' ' LYS . 21.4 t -108.19 122.65 62.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.26 179.422 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.03 69.06 5.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.977 0.418 . . . . 1.0 112.086 -179.014 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.479 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -118.19 74.81 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.861 -0.792 . . . . 1.0 108.861 178.403 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER 87.72 -39.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 -177.595 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.452 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -138.54 -171.93 3.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.286 -0.87 . . . . 1.0 109.553 178.85 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.8 m -108.31 75.85 1.0 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 178.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 20' ' ' VAL . 24.8 mmtt -95.78 126.59 41.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.74 -0.664 . . . . 1.0 111.04 -179.219 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 tttt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 1.0 111.112 -179.876 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.948 0.404 . . . . 1.0 111.103 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.447 ' CG ' ' HD3' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -78.27 146.42 34.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.294 179.465 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 7' ' ' TRP . 17.1 mttm -103.1 -176.7 3.16 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.654 0.74 . . . . 1.0 112.264 -178.735 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.478 ' N ' HD11 ' A' ' 19' ' ' LEU . 17.2 t90 -57.01 145.61 29.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.054 -0.975 . . . . 1.0 111.129 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.461 ' HG3' ' CD2' ' A' ' 5' ' ' TRP . 0.1 OUTLIER 85.12 -14.91 0.56 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.796 -0.638 . . . . 1.0 112.368 179.406 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 4' ' ' LYS . 19.8 m95 -69.79 167.76 16.52 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.306 -0.558 . . . . 1.0 110.996 -179.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.3 163.61 27.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.784 -0.644 . . . . 1.0 112.221 -179.245 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.414 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 1.7 t -130.62 87.94 2.56 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.712 -0.676 . . . . 1.0 109.876 178.833 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -71.27 -174.1 0.97 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.761 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 t -51.39 -26.51 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.535 179.399 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.48 57.0 0.07 Allowed 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.925 -0.58 . . . . 1.0 111.072 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.447 ' HD3' ' CG ' ' A' ' 3' ' ' GLN . 1.4 tmm_? -68.84 153.31 44.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.554 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -97.87 89.76 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.11 0.411 . . . . 1.0 112.11 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.529 ' SG ' HD13 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -96.66 -179.39 4.58 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 178.645 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.5 m -82.16 170.79 15.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.901 0.381 . . . . 1.0 111.048 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -15.7 62.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.806 -179.401 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.87 23.26 33.75 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.572 -0.823 . . . . 1.0 112.244 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.529 HD13 ' SG ' ' A' ' 15' ' ' CYS . 24.5 mt -144.42 165.64 27.37 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.865 0.364 . . . . 1.0 111.221 -179.404 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 21' ' ' CYS . 21.5 t -127.67 161.31 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.803 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.498 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -99.74 115.08 28.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.424 0.63 . . . . 1.0 111.832 -179.639 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.45 79.65 0.09 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.127 -0.942 . . . . 1.0 109.001 179.519 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 78.42 -59.92 0.41 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.994 -0.743 . . . . 1.0 108.994 -177.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -139.69 145.26 38.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.965 178.569 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.458 ' HB3' HD13 ' A' ' 19' ' ' LEU . 52.7 m -49.8 102.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 1.0 110.804 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -90.95 130.59 36.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.977 -179.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 9.0 tttt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.292 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.973 0.416 . . . . 1.0 111.348 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.03 136.75 45.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.758 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.4 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 39.9 mttt -87.29 -174.02 4.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.116 0.484 . . . . 1.0 111.493 -179.55 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.456 ' CD1' ' CB ' ' A' ' 27' ' ' LYS . 13.2 t90 -60.83 132.05 52.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 1.0 111.299 -179.793 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.3 ttp 70.07 15.18 7.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.769 -0.651 . . . . 1.0 112.372 178.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.4 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 7.5 m0 -84.9 178.34 7.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.943 0.402 . . . . 1.0 110.783 179.541 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -70.94 146.77 49.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.294 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -152.27 106.46 3.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.658 179.429 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -70.05 -167.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.2 p -47.17 -28.34 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.05 56.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.499 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -69.43 -168.92 0.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.574 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.66 90.17 3.27 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.804 0.335 . . . . 1.0 111.754 -179.441 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -90.09 -179.01 5.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.245 179.06 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.3 m -96.04 169.45 9.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.73 145.79 33.36 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.451 -179.659 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.88 -9.3 72.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.716 . . . . 1.0 113.031 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.678 HD23 ' HA ' ' A' ' 27' ' ' LYS . 66.6 mt -110.89 153.86 24.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.008 0.432 . . . . 1.0 111.189 -179.75 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.7 t -115.17 142.29 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.614 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.33 114.83 26.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.326 0.584 . . . . 1.0 111.782 -179.478 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.37 75.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.226 -0.897 . . . . 1.0 109.081 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.682 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 79.43 -56.92 0.41 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 -177.905 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.682 ' CZ3' HD12 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -130.86 144.89 51.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.821 178.522 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.4 m -71.57 107.49 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.893 0.378 . . . . 1.0 110.971 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.38 123.37 36.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.996 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HA ' HD23 ' A' ' 19' ' ' LEU . 7.0 ttmt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.6 t80 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.819 0.343 . . . . 1.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p -51.05 176.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.349 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.33 123.11 20.92 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.696 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -79.82 -175.37 4.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.218 0.533 . . . . 1.0 111.692 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.473 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 15.1 t90 -59.63 131.48 51.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.43 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 7.6 ttp 72.53 15.11 5.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.814 -0.63 . . . . 1.0 112.334 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -89.72 173.86 8.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.906 0.384 . . . . 1.0 110.869 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.36 163.61 27.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.398 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.34 112.7 0.85 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.52 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -70.21 -169.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.048 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.0 p -48.52 -27.69 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.213 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.7 51.99 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.681 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -69.09 -169.93 0.21 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.598 -0.274 . . . . 1.0 110.561 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.81 92.17 3.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.805 0.336 . . . . 1.0 111.829 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 t -93.45 169.23 10.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.303 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.7 m -85.39 167.97 15.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.88 149.47 26.81 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.501 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.32 7.7 88.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.873 -0.68 . . . . 1.0 113.092 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 27' ' ' LYS . 78.8 mt -125.94 157.72 37.02 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.962 0.41 . . . . 1.0 111.179 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.404 HG12 ' HD3' ' A' ' 22' ' ' ARG . 20.3 t -113.28 129.83 68.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.432 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 t -87.22 51.66 2.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.016 0.376 . . . . 1.0 112.016 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HD3' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -103.94 80.58 1.76 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.142 -0.688 . . . . 1.0 109.142 178.419 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.747 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 79.37 -58.88 0.38 Allowed 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.346 -0.612 . . . . 1.0 109.346 -178.036 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.747 ' CZ3' HD12 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -132.62 144.53 50.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.981 178.595 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.4 ' HB3' HD13 ' A' ' 19' ' ' LEU . 54.6 m -59.89 88.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.917 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.64 118.65 20.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.59 ' O ' HG23 ' A' ' 28' ' ' ILE . 17.3 tttt -89.51 83.19 6.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.824 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.3 pp -160.21 150.37 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.085 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 30' ' ' NH2 . 4.7 mt -75.78 156.66 5.89 Favored 'Isoleucine or valine' 0 C--O 1.249 1.066 0 CA-C-O 118.241 -0.885 . . . . 1.0 111.08 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . 0.425 ' N ' HG22 ' A' ' 29' ' ' ILE . . . . . . . . 0 C--N 1.249 -3.782 0 O-C-N 123.545 0.528 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.777 0.322 . . . . 1.0 111.188 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 p -52.64 -179.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.261 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -77.27 126.3 30.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.366 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HD2' ' CZ2' ' A' ' 7' ' ' TRP . 8.9 mttp -82.38 -176.78 6.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.208 0.528 . . . . 1.0 111.603 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 16.2 t90 -62.62 132.33 51.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.542 -0.754 . . . . 1.0 111.336 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.8 ttm 75.16 9.19 3.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.866 -0.606 . . . . 1.0 112.105 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.446 ' CZ2' ' HD2' ' A' ' 4' ' ' LYS . 14.7 m0 -87.65 171.21 10.63 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.97 0.414 . . . . 1.0 110.987 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.62 152.71 42.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.463 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.22 107.86 3.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.551 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -63.86 -168.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.962 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -47.64 -28.32 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.042 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.42 48.84 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.468 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -69.55 148.45 49.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.896 0.379 . . . . 1.0 110.59 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.39 104.52 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.554 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.8 t -100.36 172.07 7.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.236 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.7 m -88.8 166.06 14.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -60.32 136.16 57.95 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.143 -0.481 . . . . 1.0 111.424 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.47 12.79 56.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.831 -0.7 . . . . 1.0 113.127 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 27' ' ' LYS . 64.1 mt -131.82 159.76 37.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.019 0.437 . . . . 1.0 111.211 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.5 HG23 ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -117.96 137.12 52.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.326 179.704 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 t -88.76 46.58 1.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.186 0.439 . . . . 1.0 112.186 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.408 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -94.81 79.8 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.107 -0.701 . . . . 1.0 109.107 178.403 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.895 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 79.93 -58.26 0.35 Allowed 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.159 -0.682 . . . . 1.0 109.159 -177.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.895 ' CH2' HD13 ' A' ' 23' ' ' LEU . 1.4 p90 -134.15 148.06 50.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.654 -0.703 . . . . 1.0 109.933 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.441 ' HB3' HD13 ' A' ' 19' ' ' LEU . 28.5 m -60.49 87.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.793 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HB3' HG23 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -83.99 143.32 29.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.92 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.764 ' O ' HD13 ' A' ' 28' ' ' ILE . 6.4 tttp -74.72 101.54 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.186 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.764 HD13 ' O ' ' A' ' 27' ' ' LYS . 26.1 mm -140.37 145.87 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -69.89 -61.56 1.63 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.046 0 CA-C-O 118.235 -0.888 . . . . 1.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.792 0 O-C-N 123.532 0.52 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.798 0.333 . . . . 1.0 111.175 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 p -122.33 175.78 6.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.429 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 20.6 mm-40 -68.06 124.96 24.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.89 -0.596 . . . . 1.0 110.089 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.429 ' HB2' ' CE2' ' A' ' 7' ' ' TRP . 49.1 mttt -79.88 -175.58 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.336 0.589 . . . . 1.0 111.892 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.469 ' CD1' ' CB ' ' A' ' 27' ' ' LYS . 16.0 t90 -61.05 131.05 49.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.364 -0.835 . . . . 1.0 111.602 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.5 ttp 65.55 16.97 10.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.758 -0.655 . . . . 1.0 112.279 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.429 ' CE2' ' HB2' ' A' ' 4' ' ' LYS . 11.3 m0 -86.01 175.22 8.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.042 0.448 . . . . 1.0 110.874 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.25 147.28 48.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.452 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.0 104.23 3.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.611 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -60.21 -165.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.5 -28.21 1.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.048 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.86 49.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.771 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.43 146.24 52.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 1.0 110.558 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.69 107.45 3.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.209 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 15.0 t -103.32 167.72 9.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.396 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.9 m -77.65 172.61 13.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -65.16 152.02 44.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.345 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.89 16.66 76.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.971 -0.633 . . . . 1.0 112.979 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 27' ' ' LYS . 92.4 mt -128.19 157.11 41.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.917 0.389 . . . . 1.0 111.012 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 21.0 t -117.41 132.25 67.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.746 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.9 t -85.12 55.4 3.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.922 0.391 . . . . 1.0 111.943 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.74 83.26 1.72 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.262 -0.644 . . . . 1.0 109.262 178.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.905 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 75.83 -62.86 0.42 Allowed 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 -177.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.905 ' CH2' HD13 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -128.09 144.92 51.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.569 -0.742 . . . . 1.0 109.632 178.213 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 28.3 m -61.11 93.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.93 0.395 . . . . 1.0 110.954 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -78.59 119.62 22.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 1.0 111.013 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.633 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -89.79 72.46 7.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.801 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.546 ' N ' HD13 ' A' ' 28' ' ' ILE . 1.5 mm 59.79 106.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 1.0 111.075 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.8 mt -70.46 106.56 1.7 Allowed 'Isoleucine or valine' 0 C--O 1.248 1.024 0 CA-C-O 118.265 -0.874 . . . . 1.0 111.066 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.785 0 O-C-N 123.565 0.541 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.806 0.336 . . . . 1.0 111.194 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p -122.81 179.07 4.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -78.98 132.91 36.84 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.419 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.484 ' C ' HD11 ' A' ' 19' ' ' LEU . 4.5 mttp -93.0 -175.7 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.049 0.452 . . . . 1.0 111.352 -179.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.548 ' N ' HD11 ' A' ' 19' ' ' LEU . 21.4 t90 -60.06 139.4 57.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.794 -0.639 . . . . 1.0 111.165 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.447 ' CG ' ' CE3' ' A' ' 5' ' ' TRP . 3.3 mtm 82.9 -5.07 1.29 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.85 -0.614 . . . . 1.0 111.849 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -81.43 169.36 17.27 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.008 0.432 . . . . 1.0 110.819 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.38 151.63 43.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.909 -0.587 . . . . 1.0 111.227 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.22 99.59 1.94 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.66 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.73 -167.6 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.766 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.9 p -47.72 -27.9 2.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.823 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.89 59.14 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.375 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.71 -164.29 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.715 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.59 65.26 0.67 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 111.899 0.333 . . . . 1.0 111.899 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.539 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.4 t -84.1 176.64 8.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 1.0 110.223 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.5 m -83.13 169.13 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.816 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.66 -15.41 62.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.693 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.62 22.99 36.0 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.643 -0.789 . . . . 1.0 112.146 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.548 HD11 ' N ' ' A' ' 5' ' ' TRP . 20.7 mt -142.3 166.37 24.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.997 0.427 . . . . 1.0 111.381 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.72 144.96 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.431 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.94 113.98 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.352 0.596 . . . . 1.0 111.863 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.47 76.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.099 -0.955 . . . . 1.0 109.065 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.712 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 79.07 -59.85 0.38 Allowed 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.152 -0.685 . . . . 1.0 109.152 -177.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.712 ' CE3' HD12 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -129.22 144.92 51.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.707 -0.679 . . . . 1.0 109.882 178.545 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 21.7 m -65.83 100.77 0.58 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.907 0.384 . . . . 1.0 111.008 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -90.03 139.81 30.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.787 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.677 ' HG2' HD13 ' A' ' 28' ' ' ILE . 13.1 ttmt -70.14 161.55 30.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.998 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.677 HD13 ' HG2' ' A' ' 27' ' ' LYS . 3.2 mm 70.57 128.21 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mt -62.12 -51.08 76.74 Favored 'Isoleucine or valine' 0 C--O 1.25 1.086 0 CA-C-O 118.226 -0.892 . . . . 1.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.794 0 O-C-N 123.5 0.5 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.4 p90 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.877 0.37 . . . . 1.0 111.176 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -120.57 176.69 5.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.408 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 72.6 mt-30 -70.45 139.43 51.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.286 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.451 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 4.0 mtpm? -90.59 178.6 6.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.49 0.662 . . . . 1.0 111.91 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.466 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 16.2 t90 -62.99 137.13 58.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.158 -0.928 . . . . 1.0 111.26 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 ttm 81.3 -6.34 1.56 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.69 -0.686 . . . . 1.0 112.41 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.451 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 19.2 m0 -77.54 163.93 25.84 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.444 -0.502 . . . . 1.0 110.727 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.27 170.44 14.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.668 -0.696 . . . . 1.0 111.497 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 t -136.43 100.22 4.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.15 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -167.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.807 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 m -46.8 -29.11 1.79 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.978 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.88 46.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.229 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 119.78 14.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.674 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -65.24 116.06 6.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.499 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 0.8 OUTLIER -96.95 -179.21 4.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.127 179.175 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.9 m -93.26 169.69 10.2 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.972 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.95 143.38 43.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.436 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.779 ' O ' HD12 ' A' ' 28' ' ' ILE . . . 90.44 -8.85 79.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.846 -0.692 . . . . 1.0 113.022 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.561 HD23 ' HA ' ' A' ' 27' ' ' LYS . 59.2 mt -115.29 152.64 32.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.052 0.453 . . . . 1.0 111.386 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.539 HG13 HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -115.46 136.58 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.325 179.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -87.33 53.04 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 1.0 111.909 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.3 84.37 2.32 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.2 -0.667 . . . . 1.0 109.2 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.82 -59.58 0.44 Allowed 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -135.19 143.68 46.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.629 -0.714 . . . . 1.0 109.908 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.8 m -57.68 89.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.973 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -90.56 134.36 34.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.913 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.561 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -75.53 120.95 21.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.204 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 18' ' ' GLY . 3.9 mp -81.33 108.38 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.133 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.532 ' H ' HD12 ' A' ' 29' ' ' ILE . 3.5 mp -68.04 -39.88 82.21 Favored 'Isoleucine or valine' 0 C--O 1.249 1.062 0 CA-C-O 118.223 -0.894 . . . . 1.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.789 0 O-C-N 123.546 0.529 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.0 p90 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.813 0.34 . . . . 1.0 111.204 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -120.66 174.81 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 1.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.451 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -73.7 138.11 44.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.239 179.368 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' O ' ' CD1' ' A' ' 7' ' ' TRP . 4.3 mtmp? -99.41 -178.58 3.95 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 121.383 0.611 . . . . 1.0 111.702 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.468 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 18.4 t90 -59.85 139.92 56.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.127 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.464 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 88.03 -11.66 0.48 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.752 -0.658 . . . . 1.0 112.037 179.5 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.418 ' CD1' ' O ' ' A' ' 4' ' ' LYS . 10.7 m95 -78.48 159.32 28.3 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 121.209 0.528 . . . . 1.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.88 164.0 27.29 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.654 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 t -133.21 98.15 4.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.157 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -166.92 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.754 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.8 p -47.07 -28.51 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.978 -0.556 . . . . 1.0 111.002 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.13 57.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.255 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.57 123.68 21.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.697 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 89.07 0.36 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.585 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.469 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.6 t -89.22 175.66 7.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.134 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.6 m -80.47 169.81 17.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.771 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.58 -15.53 62.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.746 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.91 21.88 42.52 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.502 -0.856 . . . . 1.0 112.106 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.469 HD13 ' SG ' ' A' ' 15' ' ' CYS . 23.5 mt -143.34 163.43 33.04 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.063 0.458 . . . . 1.0 111.465 -179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.4 HG23 ' HB2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -119.62 135.79 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.258 179.51 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -87.13 56.78 4.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 1.0 111.907 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -107.17 84.27 1.95 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.169 -0.678 . . . . 1.0 109.169 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.965 HD23 ' CH2' ' A' ' 24' ' ' TRP . 1.6 tp 76.73 -61.16 0.45 Allowed 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 109.046 -0.724 . . . . 1.0 109.046 -177.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.965 ' CH2' HD23 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -133.12 144.21 49.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.601 -0.727 . . . . 1.0 109.78 178.289 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 17.0 m -57.78 94.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.827 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' HB2' HG23 ' A' ' 20' ' ' VAL . 1.8 mmtp -94.31 143.1 26.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.683 ' O ' HD13 ' A' ' 28' ' ' ILE . 9.6 tttm -78.56 126.55 30.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.298 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.683 HD13 ' O ' ' A' ' 27' ' ' LYS . 26.6 mm -144.21 120.14 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.055 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mt -63.2 -63.5 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.07 0 CA-C-O 118.251 -0.88 . . . . 1.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.799 0 O-C-N 123.517 0.51 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 54.8 p90 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.796 0.331 . . . . 1.0 111.195 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.5 p -120.31 177.4 5.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.043 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -86.27 141.77 29.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.643 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -95.51 -175.72 3.55 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.381 0.61 . . . . 1.0 112.0 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.54 ' HB2' HD21 ' A' ' 19' ' ' LEU . 17.9 t90 -55.56 143.18 30.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.329 -0.85 . . . . 1.0 111.354 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.428 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 84.19 -11.98 0.81 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.81 -0.632 . . . . 1.0 112.199 179.392 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -77.26 168.06 20.68 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.829 0.347 . . . . 1.0 110.683 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.32 171.32 11.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -161.11 104.95 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.997 0.427 . . . . 1.0 111.116 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -70.07 -165.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.589 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 m -46.28 -28.65 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.056 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.26 59.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.542 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -69.71 162.92 26.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.803 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 95.79 10.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.779 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -95.36 177.13 5.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.22 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.1 m -98.65 171.95 7.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.911 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -58.29 147.36 31.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.261 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.94 -4.63 82.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.852 -0.689 . . . . 1.0 113.004 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.54 HD21 ' HB2' ' A' ' 5' ' ' TRP . 53.7 mt -116.31 152.03 34.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.991 0.424 . . . . 1.0 111.167 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 t -120.82 151.03 23.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.774 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 t -97.58 116.82 30.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.388 0.613 . . . . 1.0 111.846 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -170.28 77.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.034 -0.985 . . . . 1.0 108.689 179.548 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.418 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.2 mt 80.93 -57.31 0.3 Allowed 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.729 -0.841 . . . . 1.0 108.729 -177.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.1 p90 -136.74 148.71 47.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.877 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.8 m -62.75 92.57 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.883 0.373 . . . . 1.0 110.447 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -71.83 164.42 26.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.949 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -93.9 136.63 33.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.133 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.1 tp -160.08 150.14 6.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.323 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.7 mm -71.59 -40.57 71.38 Favored 'Isoleucine or valine' 0 C--O 1.25 1.079 0 CA-C-O 118.219 -0.895 . . . . 1.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.779 0 O-C-N 123.567 0.542 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 62.4 t80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.824 0.345 . . . . 1.0 111.206 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p -120.76 175.61 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.054 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -71.63 150.17 44.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.427 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.447 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 9.7 mtpp -98.57 -178.92 4.15 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.29 0.567 . . . . 1.0 111.664 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.542 ' HD1' HD22 ' A' ' 19' ' ' LEU . 27.5 t90 -63.72 135.13 56.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.408 -0.814 . . . . 1.0 111.416 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.447 ' HG3' ' CE3' ' A' ' 5' ' ' TRP . 2.3 mtm 76.48 2.16 3.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.819 -0.628 . . . . 1.0 112.266 179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.447 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 19.6 m0 -81.47 166.82 20.0 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.185 0.517 . . . . 1.0 111.242 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.03 164.3 26.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.404 -0.816 . . . . 1.0 111.906 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.4 t -154.77 122.43 5.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.125 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.47 -167.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.811 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -47.16 -28.01 1.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.843 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.03 60.3 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.423 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -68.88 -163.45 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.689 0.28 . . . . 1.0 110.531 179.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.93 101.43 4.58 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.86 0.362 . . . . 1.0 111.28 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -93.73 179.87 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.494 179.506 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.5 m -90.62 169.74 10.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.589 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -55.93 145.56 24.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.964 0.411 . . . . 1.0 111.228 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.36 -21.23 36.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.87 -0.681 . . . . 1.0 112.972 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.542 HD22 ' HD1' ' A' ' 5' ' ' TRP . 15.3 mt -107.72 153.09 23.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.075 0.464 . . . . 1.0 111.364 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.937 HG12 ' O ' ' A' ' 26' ' ' LYS . 10.9 p -110.98 133.73 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.168 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -93.42 56.41 2.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 1.0 112.05 -178.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -103.75 74.39 1.23 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.293 -0.632 . . . . 1.0 109.293 178.575 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.7 tp 86.5 -37.72 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.519 -178.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.449 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -138.11 -170.92 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.423 -0.808 . . . . 1.0 109.781 178.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.1 m -110.54 76.79 1.0 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.937 ' O ' HG12 ' A' ' 20' ' ' VAL . 18.5 mmtt -93.04 128.22 38.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.869 -0.605 . . . . 1.0 111.546 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 7.1 tttm -82.02 74.6 8.99 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.758 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.1 tp -110.59 151.87 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 1.0 111.278 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.7 mm -70.99 -32.16 47.53 Favored 'Isoleucine or valine' 0 C--O 1.249 1.068 0 CA-C-O 118.197 -0.906 . . . . 1.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.807 0 O-C-N 123.534 0.521 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.817 0.342 . . . . 1.0 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -121.9 175.13 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 8' ' ' THR . 4.5 pt20 -85.44 141.16 30.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.249 179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 15.9 mtmt -87.16 -178.9 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.393 0.616 . . . . 1.0 111.922 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.467 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 57.0 t90 -58.59 141.25 52.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.298 -0.865 . . . . 1.0 111.592 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.0 mtp 75.69 -1.93 2.89 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.0 0.741 . . . . 1.0 113.0 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.408 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 31.3 m95 -78.29 165.25 24.09 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 120.209 -0.596 . . . . 1.0 110.924 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.449 ' O ' ' NE2' ' A' ' 3' ' ' GLN . 2.8 p -72.26 143.99 48.57 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.373 -0.83 . . . . 1.0 111.713 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 t -119.8 100.0 6.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.565 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -64.72 -166.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.9 p -47.06 -28.64 1.78 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.252 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.07 48.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 1.0 111.647 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HB3' ' OE1' ' A' ' 3' ' ' GLN . 2.4 mmp_? -71.19 120.91 17.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.703 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -64.52 122.72 17.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.978 0.418 . . . . 1.0 111.424 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' HA ' ' HG3' ' A' ' 3' ' ' GLN . 9.9 t -102.85 167.44 9.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.426 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 70.6 m -82.95 171.5 13.79 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.01 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.43 157.15 9.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.484 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.17 15.65 65.67 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.861 -0.608 . . . . 1.0 112.961 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.814 HD23 ' HA ' ' A' ' 27' ' ' LYS . 96.0 mt -132.52 159.1 40.41 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.953 0.406 . . . . 1.0 111.224 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 28' ' ' ILE . 20.9 t -127.39 137.56 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.856 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -86.64 110.76 20.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.247 0.546 . . . . 1.0 111.632 -179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -170.25 81.26 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.262 -0.881 . . . . 1.0 109.079 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 77.25 -59.39 0.47 Allowed 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 108.837 -0.801 . . . . 1.0 108.837 -177.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.407 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 0.4 OUTLIER -134.47 145.04 48.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.496 -0.775 . . . . 1.0 109.643 178.229 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.416 ' SG ' ' NE2' ' A' ' 3' ' ' GLN . 8.2 m -65.14 93.16 0.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.946 0.403 . . . . 1.0 110.947 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -69.96 118.12 12.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.815 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.814 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -87.97 120.24 29.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.867 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.468 ' CD1' HG23 ' A' ' 20' ' ' VAL . 3.8 mp -125.39 129.72 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.1 mm -73.3 -64.32 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.059 0 CA-C-O 118.195 -0.907 . . . . 1.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.793 0 O-C-N 123.589 0.555 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.824 0.345 . . . . 1.0 111.178 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -49.05 174.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.333 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.46 144.41 53.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.714 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp -93.56 -176.73 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.219 0.533 . . . . 1.0 111.581 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.425 ' CE2' ' HG3' ' A' ' 6' ' ' MET . 36.1 t90 -62.23 137.37 58.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.656 -0.702 . . . . 1.0 111.316 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.425 ' HG3' ' CE2' ' A' ' 5' ' ' TRP . 80.5 mtp 67.36 9.23 6.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.693 -0.685 . . . . 1.0 112.41 179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -82.39 173.42 12.05 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.002 0.429 . . . . 1.0 110.989 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.43 159.52 34.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.639 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.97 116.72 2.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.452 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -70.42 -169.83 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.4 t -47.69 -27.98 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.778 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -165.26 58.43 0.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.284 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -164.74 0.05 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.58 -0.282 . . . . 1.0 110.502 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.16 92.22 3.34 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.849 0.356 . . . . 1.0 111.43 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' SG ' HD12 ' A' ' 19' ' ' LEU . 1.7 t -91.95 176.98 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.394 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.8 m -88.92 168.85 12.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.513 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -58.58 145.65 38.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.942 0.401 . . . . 1.0 111.195 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.37 -15.3 58.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.869 -0.682 . . . . 1.0 113.16 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.478 HD12 ' SG ' ' A' ' 15' ' ' CYS . 49.2 mt -107.08 150.9 26.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.151 0.5 . . . . 1.0 111.44 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 26' ' ' LYS . 27.3 t -105.34 128.61 59.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.401 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.3 t -91.74 54.4 2.45 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.217 0.451 . . . . 1.0 112.217 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.449 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -105.43 78.09 1.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 178.542 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER 84.66 -44.51 0.08 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 -177.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.452 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -132.31 -171.89 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.253 178.619 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.3 m -107.92 73.17 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.053 0.454 . . . . 1.0 109.811 178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.543 ' O ' HG23 ' A' ' 20' ' ' VAL . 11.0 mmtm -94.48 125.99 39.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.85 -0.613 . . . . 1.0 111.348 -178.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -68.19 146.43 53.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.145 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.7 mt 63.41 149.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.076 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.1 mt -77.23 142.26 14.49 Favored 'Isoleucine or valine' 0 C--O 1.249 1.062 0 CA-C-O 118.228 -0.891 . . . . 1.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.79 0 O-C-N 123.512 0.508 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.8 p90 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.884 0.373 . . . . 1.0 111.156 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.1 p -120.93 172.83 7.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.424 ' OE1' ' HB3' ' A' ' 7' ' ' TRP . 8.7 mt-30 -76.48 147.16 38.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.187 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' O ' ' CD1' ' A' ' 7' ' ' TRP . 13.4 mttt -104.04 -179.55 3.98 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.573 0.701 . . . . 1.0 112.195 -178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.475 ' N ' HD11 ' A' ' 19' ' ' LEU . 16.0 t90 -59.18 142.45 51.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.111 -0.95 . . . . 1.0 111.215 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.443 ' HG3' ' CD2' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 85.8 -13.42 0.6 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.718 -0.674 . . . . 1.0 112.22 179.399 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.424 ' HB3' ' OE1' ' A' ' 3' ' ' GLN . 14.9 m95 -70.01 168.43 15.45 Favored 'General case' 0 C--N 1.334 -0.098 0 C-N-CA 120.469 -0.492 . . . . 1.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.08 164.13 26.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.997 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.3 t -131.16 92.46 3.2 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.123 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -71.11 -173.91 0.9 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.788 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 p -51.38 -26.64 8.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.642 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.2 56.05 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.028 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -68.95 147.85 51.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.66 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.27 103.61 15.63 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.448 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -104.86 178.16 4.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.167 179.276 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.5 m -78.2 171.5 14.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.526 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -70.5 -13.72 62.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.857 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.26 23.03 37.86 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.516 -0.85 . . . . 1.0 112.048 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 27' ' ' LYS . 36.9 mt -146.02 164.17 32.92 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.003 0.43 . . . . 1.0 111.569 -179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.779 HG22 HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -129.92 166.6 27.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.515 179.801 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.49 116.85 33.46 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.32 0.581 . . . . 1.0 111.824 -179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.55 81.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.216 -0.902 . . . . 1.0 108.875 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.996 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.6 OUTLIER 76.75 -60.84 0.46 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.607 -0.886 . . . . 1.0 108.607 -177.489 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.996 ' CH2' HD13 ' A' ' 23' ' ' LEU . 1.2 p90 -137.14 147.79 46.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.533 -0.758 . . . . 1.0 109.687 177.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.401 ' HB3' HD13 ' A' ' 19' ' ' LEU . 4.5 m -51.36 96.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.887 0.375 . . . . 1.0 110.616 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.55 138.64 32.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.02 -0.536 . . . . 1.0 111.206 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HA ' HD23 ' A' ' 19' ' ' LEU . 1.1 ttpm? -81.44 149.54 28.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.022 -0.536 . . . . 1.0 111.18 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.779 HD12 HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -148.4 159.0 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.17 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -71.84 137.08 24.37 Favored 'Isoleucine or valine' 0 C--O 1.249 1.055 0 CA-C-O 118.186 -0.911 . . . . 1.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.795 0 O-C-N 123.57 0.544 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.4 t80 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.814 0.34 . . . . 1.0 111.174 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -122.25 174.53 6.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.138 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -71.21 146.1 49.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.414 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.451 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 2.2 mtpm? -94.76 -179.45 4.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.451 0.644 . . . . 1.0 111.858 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.489 ' HD1' HD22 ' A' ' 19' ' ' LEU . 27.7 t90 -64.58 133.89 53.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.329 -0.85 . . . . 1.0 111.503 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.444 ' HG3' ' CE3' ' A' ' 5' ' ' TRP . 0.8 OUTLIER 76.2 1.73 3.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.766 -0.652 . . . . 1.0 112.295 179.171 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.451 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 17.3 m0 -81.9 166.36 19.98 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.209 0.528 . . . . 1.0 111.054 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.91 162.05 30.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.466 -0.788 . . . . 1.0 111.484 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.412 ' HA ' ' HB3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -138.61 100.24 4.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.481 179.175 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -57.61 -167.54 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.994 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.39 -29.14 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.959 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.07 45.19 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.342 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HB3' ' HA ' ' A' ' 9' ' ' CYS . 8.1 tpm_? -70.39 103.72 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.506 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.1 121.02 9.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.652 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.488 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -97.44 178.86 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.163 179.164 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.7 m -87.78 169.99 11.6 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.76 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.21 131.2 48.63 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.449 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.98 -7.89 53.31 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.782 -0.723 . . . . 1.0 113.233 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.489 HD22 ' HD1' ' A' ' 5' ' ' TRP . 47.9 mt -114.55 151.33 33.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.12 0.486 . . . . 1.0 111.496 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 26' ' ' LYS . 20.5 t -105.63 127.96 60.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.613 -0.722 . . . . 1.0 110.294 179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.2 t -90.82 45.57 1.26 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.2 0.444 . . . . 1.0 112.2 -178.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -90.88 73.81 6.52 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 178.544 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER 87.23 -44.6 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.796 -0.638 . . . . 1.0 109.336 -177.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.451 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -129.54 -169.81 2.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.369 -0.832 . . . . 1.0 109.243 178.65 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 5.2 m -111.27 73.81 0.84 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.996 0.427 . . . . 1.0 109.993 178.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.451 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 10.6 mmtp -94.1 128.05 40.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.151 -179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -57.02 162.92 2.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.465 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -43.67 164.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.736 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.4 mm -72.82 -20.39 19.13 Favored 'Isoleucine or valine' 0 C--O 1.249 1.051 0 CA-C-O 118.228 -0.891 . . . . 1.0 111.119 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.784 0 O-C-N 123.496 0.498 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.825 0.345 . . . . 1.0 111.195 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -120.84 174.18 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.083 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.445 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 13.6 pt20 -86.31 147.54 26.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.445 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -84.99 178.74 7.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 1.0 112.191 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.563 ' HB2' HD21 ' A' ' 19' ' ' LEU . 66.7 t90 -58.19 145.45 37.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.964 -1.016 . . . . 1.0 111.375 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' A' ' 5' ' ' TRP . 2.2 mmm 71.35 0.75 3.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.477 -0.783 . . . . 1.0 112.883 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -76.82 166.56 23.19 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 120.159 -0.616 . . . . 1.0 110.815 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 p -71.88 145.73 48.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.59 -0.732 . . . . 1.0 111.51 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.75 106.81 9.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.803 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.62 -166.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.746 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -46.71 -28.52 1.53 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.014 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -173.67 55.35 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.464 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -69.67 164.96 22.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.533 -0.303 . . . . 1.0 110.642 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.53 110.34 22.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.003 0.43 . . . . 1.0 111.843 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' HA ' ' HG3' ' A' ' 3' ' ' GLN . 13.6 t -102.08 167.14 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.119 179.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.4 m -80.56 171.99 14.33 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.043 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -60.53 159.85 9.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.375 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.49 11.46 62.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.981 -0.628 . . . . 1.0 112.973 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 5' ' ' TRP . 68.0 mt -129.19 157.14 42.64 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 120.913 0.387 . . . . 1.0 111.11 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 20.9 t -120.04 149.4 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.833 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.3 t -92.41 42.26 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.008 0.373 . . . . 1.0 112.008 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.38 79.83 4.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.86 HD23 ' CZ3' ' A' ' 24' ' ' TRP . 4.3 tp 77.83 -59.14 0.45 Allowed 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.86 ' CZ3' HD23 ' A' ' 23' ' ' LEU . 2.4 p90 -132.58 154.4 50.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.658 -0.701 . . . . 1.0 109.807 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 47.7 m -59.63 88.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.935 0.398 . . . . 1.0 110.865 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.07 122.16 26.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.995 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 10.7 tttp -91.97 81.79 5.12 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.645 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.0 tp -122.24 149.09 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.295 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.538 ' H ' HD12 ' A' ' 29' ' ' ILE . 3.6 mp -69.06 -57.74 7.75 Favored 'Isoleucine or valine' 0 C--O 1.249 1.05 0 CA-C-O 118.194 -0.907 . . . . 1.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.818 0 O-C-N 123.552 0.532 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.862 0.363 . . . . 1.0 111.172 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 p -51.43 177.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.458 . . . . 1.0 111.327 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -74.91 139.05 42.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.457 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.424 ' HE3' ' CZ2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -99.29 -179.24 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.271 0.558 . . . . 1.0 111.518 -179.619 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.466 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 28.5 t90 -62.61 137.7 58.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.522 -0.763 . . . . 1.0 111.235 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.442 ' CG ' ' CE3' ' A' ' 5' ' ' TRP . 3.3 mtp 86.04 -11.85 0.65 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.792 -0.64 . . . . 1.0 112.005 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.424 ' CZ2' ' HE3' ' A' ' 4' ' ' LYS . 31.0 m95 -80.95 162.19 23.98 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.141 0.496 . . . . 1.0 111.061 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.02 170.26 14.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.511 -0.768 . . . . 1.0 111.498 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.78 111.19 3.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.39 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -60.46 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.1 -28.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.889 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.75 49.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.332 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -69.34 150.64 47.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.866 0.365 . . . . 1.0 110.563 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -79.75 117.84 21.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.216 0.531 . . . . 1.0 112.085 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' SG ' HD12 ' A' ' 19' ' ' LEU . 1.6 t -110.79 -179.23 3.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.557 -0.747 . . . . 1.0 110.06 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.8 m -95.65 168.06 10.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.803 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -59.14 132.37 53.82 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.348 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.98 -9.16 58.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 1.0 113.082 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.414 HD12 ' SG ' ' A' ' 15' ' ' CYS . 63.7 mt -113.35 152.77 29.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.978 0.418 . . . . 1.0 111.28 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -113.6 140.95 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.426 179.723 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.8 t -89.7 46.37 1.36 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.048 0.388 . . . . 1.0 112.048 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.83 83.7 3.75 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.373 -0.602 . . . . 1.0 109.373 178.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.37 -60.51 0.44 Allowed 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.407 -0.59 . . . . 1.0 109.407 -178.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -132.92 145.58 51.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.711 -0.677 . . . . 1.0 109.929 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 8.3 m -59.65 95.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.917 0.389 . . . . 1.0 110.82 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.557 ' HB3' HD13 ' A' ' 28' ' ' ILE . 1.8 tptm -102.86 145.27 30.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.003 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.637 ' C ' HD12 ' A' ' 28' ' ' ILE . 4.4 tttp -73.75 72.38 1.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.344 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.717 ' O ' HG13 ' A' ' 20' ' ' VAL . 5.2 mp -148.21 153.85 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.879 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.419 ' N ' HG22 ' A' ' 28' ' ' ILE . 30.4 mt -79.04 -37.33 19.38 Favored 'Isoleucine or valine' 0 C--O 1.248 1.026 0 CA-C-O 118.267 -0.873 . . . . 1.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.25 -3.748 0 O-C-N 123.497 0.498 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 53.6 p90 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.836 0.35 . . . . 1.0 111.202 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -121.21 176.46 5.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -70.87 142.6 51.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.297 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.423 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 5.4 mtpt -99.24 179.22 4.66 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.433 0.635 . . . . 1.0 111.939 -179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.473 ' O ' ' CB ' ' A' ' 6' ' ' MET . 15.1 t90 -62.37 135.81 57.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.196 -0.911 . . . . 1.0 111.207 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.473 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 1.1 tmm? 87.57 -13.26 0.47 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.745 -0.661 . . . . 1.0 112.246 179.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.423 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 24.1 m95 -78.99 161.62 26.51 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.501 -0.48 . . . . 1.0 110.864 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.15 -178.43 2.44 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.656 -0.702 . . . . 1.0 111.39 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -152.89 103.59 2.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.432 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.25 -167.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.011 -0.54 . . . . 1.0 111.042 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.5 p -46.41 -29.04 1.54 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.08 45.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.413 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -69.89 120.59 15.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.447 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 pttt -63.53 124.11 20.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.133 0.492 . . . . 1.0 111.834 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -107.44 -178.09 3.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.801 -0.636 . . . . 1.0 109.973 179.033 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.0 m -95.04 168.62 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -57.98 137.92 56.37 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.132 -0.486 . . . . 1.0 111.484 -179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 95.59 -6.57 67.88 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.807 -0.711 . . . . 1.0 113.159 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.43 HD21 ' HB2' ' A' ' 5' ' ' TRP . 55.8 mt -116.18 152.27 34.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.05 0.453 . . . . 1.0 111.407 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.64 HG12 ' HD3' ' A' ' 22' ' ' ARG . 19.7 t -112.52 139.4 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.436 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.7 t -89.79 44.52 1.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.122 0.416 . . . . 1.0 112.122 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.64 ' HD3' HG12 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -92.14 81.13 5.03 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 178.533 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 78.84 -59.07 0.41 Allowed 'General case' 0 C--O 1.233 0.206 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 -178.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -133.68 144.81 49.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.997 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 30.4 m -57.99 89.47 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.95 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -85.99 145.22 27.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.94 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' O ' ' O ' ' A' ' 28' ' ' ILE . 12.2 tttp -72.95 119.96 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.075 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.589 ' C ' HD12 ' A' ' 28' ' ' ILE . 2.1 pp 44.26 172.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.586 0.708 . . . . 1.0 112.614 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.24 115.34 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.249 1.053 0 CA-C-O 118.157 -0.925 . . . . 1.0 111.103 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.808 0 O-C-N 123.568 0.543 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.872 0.368 . . . . 1.0 111.211 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -121.91 178.03 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.974 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -72.93 143.08 47.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.714 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.435 ' HZ3' ' HE1' ' A' ' 7' ' ' TRP . 31.0 mtmm -102.87 -178.82 3.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.158 0.504 . . . . 1.0 111.558 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.519 ' O ' ' CB ' ' A' ' 6' ' ' MET . 7.9 t90 -69.17 89.42 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.994 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.519 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 149.0 -24.73 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 O-C-N 123.547 0.529 . . . . 1.0 111.419 179.4 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.435 ' HE1' ' HZ3' ' A' ' 4' ' ' LYS . 32.8 m95 -69.47 170.52 10.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.054 0.454 . . . . 1.0 111.408 -179.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.09 -176.19 1.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.594 -0.73 . . . . 1.0 111.299 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -150.61 97.15 2.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.338 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -70.26 -169.19 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.759 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.1 t -47.9 -28.68 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.035 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -174.43 55.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -69.79 144.38 52.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.816 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.41 108.99 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.465 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -102.59 179.72 4.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.45 179.477 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.0 m -95.71 167.75 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.487 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -57.89 145.55 35.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.926 0.393 . . . . 1.0 111.127 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.462 ' HA2' HD13 ' A' ' 29' ' ' ILE . . . 87.03 -11.0 66.21 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.856 -0.688 . . . . 1.0 113.167 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.469 HD21 ' HB2' ' A' ' 5' ' ' TRP . 51.2 mt -105.68 150.72 25.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.128 0.489 . . . . 1.0 111.31 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -119.14 150.05 21.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.803 -179.815 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -96.48 113.81 25.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.316 0.579 . . . . 1.0 111.62 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.33 86.67 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.22 -0.9 . . . . 1.0 108.919 179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 77.78 -59.33 0.45 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 108.804 -0.813 . . . . 1.0 108.804 -177.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -143.28 144.04 31.96 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.513 -0.767 . . . . 1.0 109.772 178.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 7' ' ' TRP . 4.5 m -55.5 98.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.91 0.386 . . . . 1.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HB2' HG23 ' A' ' 20' ' ' VAL . 4.4 mmtm -81.65 165.49 21.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.713 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 9.6 tttm -92.53 74.63 5.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 1.0 111.457 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.409 ' HB ' HG21 ' A' ' 20' ' ' VAL . 16.8 mt -151.14 149.44 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 1.0 111.081 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.462 HD13 ' HA2' ' A' ' 18' ' ' GLY . 31.4 mm -70.98 119.09 16.62 Favored 'Isoleucine or valine' 0 C--O 1.248 1.024 0 CA-C-O 118.224 -0.893 . . . . 1.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.766 0 O-C-N 123.543 0.527 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.813 0.339 . . . . 1.0 111.203 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -121.48 177.07 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.58 144.05 46.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.727 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.427 ' HA ' HD11 ' A' ' 19' ' ' LEU . 12.1 mttp -103.98 177.79 4.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 121.351 0.596 . . . . 1.0 111.842 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.508 ' O ' ' CB ' ' A' ' 6' ' ' MET . 7.5 t90 -66.89 89.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.2 -0.909 . . . . 1.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.508 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 152.55 -31.89 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.435 0.46 . . . . 1.0 111.166 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.413 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 28.8 m95 -75.44 160.22 30.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.052 0.454 . . . . 1.0 111.331 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.19 -175.86 1.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.619 -0.719 . . . . 1.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.66 111.06 3.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.679 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -63.37 -168.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.728 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.9 t -47.04 -28.48 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.979 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -171.23 52.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.271 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -69.54 150.05 47.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.718 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -80.77 117.06 21.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.278 0.561 . . . . 1.0 112.037 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.539 ' SG ' HD12 ' A' ' 19' ' ' LEU . 1.6 t -111.99 177.5 4.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.419 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.2 m -94.22 166.91 11.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.336 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -57.42 145.43 32.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.014 0.435 . . . . 1.0 111.177 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.62 -7.86 77.64 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.862 -0.685 . . . . 1.0 113.289 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.539 HD12 ' SG ' ' A' ' 15' ' ' CYS . 44.1 mt -107.87 150.68 26.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.16 0.505 . . . . 1.0 111.402 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 20.7 t -113.0 141.8 27.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.932 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.2 t -90.6 39.72 0.99 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.867 -179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -89.38 84.95 6.46 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.943 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 78.09 -58.05 0.46 Allowed 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.423 -0.584 . . . . 1.0 109.423 -178.263 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.943 ' CH2' HD13 ' A' ' 23' ' ' LEU . 2.6 p90 -138.85 151.78 47.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.827 -0.624 . . . . 1.0 109.998 178.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 17.8 m -60.17 89.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.896 0.379 . . . . 1.0 110.723 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -84.14 170.47 13.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.657 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 15.9 tttt -94.98 141.37 28.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.136 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.4 tp -167.28 136.28 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 1.0 111.307 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.3 mt -78.3 155.3 5.08 Favored 'Isoleucine or valine' 0 C--O 1.249 1.065 0 CA-C-O 118.228 -0.892 . . . . 1.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.771 0 O-C-N 123.503 0.502 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.798 0.332 . . . . 1.0 111.258 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -120.63 175.91 5.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.042 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.416 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 14.5 mm-40 -71.96 145.24 48.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.563 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.412 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 4.2 mtpm? -105.18 -179.49 3.96 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.369 0.604 . . . . 1.0 111.508 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.467 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 21.3 t90 -62.22 137.69 58.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.479 -0.782 . . . . 1.0 111.16 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.448 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 1.2 mtp 87.38 -12.92 0.49 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.748 -0.66 . . . . 1.0 112.096 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.412 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 22.1 m95 -81.75 159.43 23.86 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 121.256 0.55 . . . . 1.0 111.233 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.19 -178.47 2.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.328 -0.851 . . . . 1.0 111.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.28 110.92 3.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.667 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.83 -168.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.766 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.6 p -47.13 -28.52 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.001 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.24 49.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.264 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HG2' ' HG3' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -69.61 133.35 47.49 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.853 0.358 . . . . 1.0 110.714 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -73.96 121.84 21.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.113 0.482 . . . . 1.0 111.753 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' SG ' HD12 ' A' ' 19' ' ' LEU . 1.3 t -106.37 179.45 4.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.183 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.9 m -92.77 169.31 10.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.717 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -60.16 133.0 55.67 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.364 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.98 -13.93 57.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 1.0 113.0 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.415 HD12 ' SG ' ' A' ' 15' ' ' CYS . 44.2 mt -110.48 151.27 27.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.047 0.451 . . . . 1.0 111.367 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.797 HG21 HG22 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -111.72 136.14 48.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.771 -0.649 . . . . 1.0 110.064 179.308 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 9.0 t -90.39 46.29 1.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.505 . . . . 1.0 112.084 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -89.67 70.39 7.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 178.715 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 3.1 tp 86.7 -39.41 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.637 -0.71 . . . . 1.0 109.457 -178.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.456 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.23 -168.89 2.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.397 -0.82 . . . . 1.0 109.494 178.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.05 81.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.105 -0.702 . . . . 1.0 109.105 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.65 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.9 mmtp -96.16 142.46 28.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.885 -0.598 . . . . 1.0 111.671 -178.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 3.1 tttp -85.84 75.0 10.09 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.079 -0.51 . . . . 1.0 111.098 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.797 HG22 HG21 ' A' ' 20' ' ' VAL . 4.0 tp -122.07 149.55 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.245 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.1 mt -77.47 111.77 14.66 Favored 'Isoleucine or valine' 0 C--O 1.249 1.073 0 CA-C-O 118.172 -0.918 . . . . 1.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.797 0 O-C-N 123.56 0.537 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.869 0.366 . . . . 1.0 111.132 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -121.85 175.6 6.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.075 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -75.71 149.14 38.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.337 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.449 ' CE ' ' CZ2' ' A' ' 7' ' ' TRP . 26.8 mtmt -99.41 179.27 4.62 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.365 0.602 . . . . 1.0 111.772 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.626 ' HD1' HD22 ' A' ' 19' ' ' LEU . 24.0 t90 -63.74 134.9 56.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.334 -0.848 . . . . 1.0 111.431 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.434 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 3.1 mtp 85.15 -8.28 0.87 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.691 -0.686 . . . . 1.0 112.37 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.449 ' CZ2' ' CE ' ' A' ' 4' ' ' LYS . 22.9 m95 -82.44 160.81 22.64 Favored 'General case' 0 CA--C 1.521 -0.135 0 CA-C-O 121.36 0.6 . . . . 1.0 111.239 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 p -72.36 179.32 3.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.204 -0.907 . . . . 1.0 111.492 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.8 99.05 3.34 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.269 179.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -56.88 -167.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.152 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -46.32 -28.95 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.66 44.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.507 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -76.57 89.21 3.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.376 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -53.91 128.63 30.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.647 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -94.21 -178.45 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.112 179.329 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.5 m -90.2 169.75 10.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.727 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.98 133.65 56.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.399 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.38 -14.06 56.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 1.0 113.033 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.626 HD22 ' HD1' ' A' ' 5' ' ' TRP . 26.0 mt -114.0 152.8 30.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.163 0.506 . . . . 1.0 111.588 -179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.59 HG22 HD11 ' A' ' 28' ' ' ILE . 24.2 t -105.34 129.05 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.362 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 t -91.33 44.93 1.21 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.982 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -90.44 75.16 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 178.783 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.464 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 2.9 tp 86.21 -44.74 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.423 -178.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.455 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -130.62 -170.03 2.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.368 -0.833 . . . . 1.0 109.3 178.674 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.8 m -110.2 75.33 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 11.4 mmtp -95.92 122.51 38.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.282 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -71.12 148.54 47.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 1.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.59 HD11 HG22 ' A' ' 20' ' ' VAL . 4.0 mp -87.3 152.06 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.104 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 mt -71.9 -40.45 68.51 Favored 'Isoleucine or valine' 0 C--O 1.25 1.08 0 CA-C-O 118.256 -0.878 . . . . 1.0 111.08 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.768 0 O-C-N 123.524 0.515 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.804 0.335 . . . . 1.0 111.182 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -120.82 174.19 6.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.028 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.405 ' HG2' ' HG3' ' A' ' 13' ' ' ARG . 31.0 mm-40 -67.92 147.57 52.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.199 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' CD ' ' CZ2' ' A' ' 7' ' ' TRP . 3.0 mtpm? -95.77 -179.41 4.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.386 0.612 . . . . 1.0 111.918 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.482 ' HD1' HD22 ' A' ' 19' ' ' LEU . 28.4 t90 -64.28 133.26 52.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.265 -0.879 . . . . 1.0 111.482 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.449 ' HG3' ' CE3' ' A' ' 5' ' ' TRP . 3.3 mtm 76.81 1.69 3.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.809 -0.632 . . . . 1.0 112.332 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.448 ' CZ2' ' CD ' ' A' ' 4' ' ' LYS . 17.0 m0 -81.73 166.42 20.09 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.186 0.517 . . . . 1.0 111.123 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.97 159.68 33.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.509 -0.768 . . . . 1.0 111.862 -179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.5 t -133.1 96.14 3.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.064 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.91 -168.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.595 -0.729 . . . . 1.0 111.101 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 p -46.82 -29.27 1.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -166.47 44.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.398 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HG3' ' HG2' ' A' ' 3' ' ' GLN . 2.4 tpm_? -74.97 93.46 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.421 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 127.11 21.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.198 0.523 . . . . 1.0 111.567 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -101.97 178.84 4.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.196 179.374 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.9 m -88.23 169.25 12.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.404 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.38 150.87 21.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.005 0.431 . . . . 1.0 111.279 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.12 -7.14 68.18 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.949 -0.643 . . . . 1.0 113.401 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.482 HD22 ' HD1' ' A' ' 5' ' ' TRP . 43.4 mt -113.15 150.61 31.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.15 0.5 . . . . 1.0 111.554 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 24' ' ' TRP . 25.6 t -108.53 128.54 64.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.258 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.34 46.38 1.34 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.289 0.477 . . . . 1.0 112.289 -178.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -92.65 73.56 5.04 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 178.533 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.47 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 1.2 tt 87.4 -41.01 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.859 -0.609 . . . . 1.0 109.486 -178.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.455 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -133.86 -169.53 2.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.299 -0.864 . . . . 1.0 109.204 178.765 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.4 m -109.5 69.31 0.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.034 0.445 . . . . 1.0 109.857 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.455 ' HG3' ' CE3' ' A' ' 24' ' ' TRP . 12.3 mmtt -87.15 124.36 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.822 -0.626 . . . . 1.0 111.245 -179.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.747 ' O ' HD13 ' A' ' 28' ' ' ILE . 2.7 tttm -75.25 133.03 41.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.747 HD13 ' O ' ' A' ' 27' ' ' LYS . 25.5 mm -141.31 142.39 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.8 mm -75.3 137.93 21.93 Favored 'Isoleucine or valine' 0 C--O 1.249 1.065 0 CA-C-O 118.236 -0.887 . . . . 1.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.778 0 O-C-N 123.533 0.521 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.809 0.338 . . . . 1.0 111.225 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -121.4 176.4 5.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.43 ' NE2' ' HB3' ' A' ' 13' ' ' ARG . 14.9 mt-30 -75.62 149.21 38.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.615 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mtpm? -103.31 179.59 4.23 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.427 0.632 . . . . 1.0 111.693 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.518 ' CD1' ' HB2' ' A' ' 27' ' ' LYS . 30.8 t90 -62.09 137.73 58.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.339 -0.846 . . . . 1.0 111.214 -179.866 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.455 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 1.1 mtm 86.8 -12.06 0.57 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.794 -0.639 . . . . 1.0 112.282 179.374 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -76.81 158.87 30.55 Favored 'General case' 0 C--N 1.333 -0.127 0 C-N-CA 120.34 -0.544 . . . . 1.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.86 167.19 21.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.483 -0.781 . . . . 1.0 111.585 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.4 t -127.21 97.81 5.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.095 0.474 . . . . 1.0 110.146 178.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -63.85 -168.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.102 -179.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 t -47.83 -29.05 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.093 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.03 45.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.447 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HB3' ' NE2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -77.8 99.2 5.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.491 179.615 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 131.09 49.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.247 0.546 . . . . 1.0 111.793 -179.316 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.582 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -101.41 -176.2 3.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.001 179.137 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.0 m -93.07 171.35 9.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.879 0.371 . . . . 1.0 111.006 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -58.16 136.49 57.26 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.36 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.828 ' O ' HD12 ' A' ' 28' ' ' ILE . . . 97.88 -15.46 61.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 1.0 113.02 179.689 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.582 HD12 ' SG ' ' A' ' 15' ' ' CYS . 14.0 mt -110.56 156.93 20.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.088 0.47 . . . . 1.0 111.408 -179.68 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -119.46 140.9 41.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.438 179.615 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.7 49.17 1.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 1.0 111.803 -179.407 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -98.1 80.66 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.315 -0.624 . . . . 1.0 109.315 178.589 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.98 HD13 ' CH2' ' A' ' 24' ' ' TRP . 0.5 OUTLIER 78.58 -58.18 0.44 Allowed 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.371 -0.604 . . . . 1.0 109.371 -178.084 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.98 ' CH2' HD13 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -132.8 144.19 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.769 -0.651 . . . . 1.0 110.126 178.652 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.2 m -59.18 89.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.734 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' O ' HG22 ' A' ' 20' ' ' VAL . 15.8 tptt -91.36 124.8 35.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 1.0 111.064 -179.759 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 4.7 ttmm -81.33 131.92 35.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.828 HD12 ' O ' ' A' ' 18' ' ' GLY . 3.9 mp -89.06 111.22 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.08 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.7 mm -69.68 128.04 32.47 Favored 'Isoleucine or valine' 0 C--O 1.249 1.035 0 CA-C-O 118.285 -0.864 . . . . 1.0 111.088 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.25 -3.755 0 O-C-N 123.51 0.506 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.4 t80 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.811 0.339 . . . . 1.0 111.199 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 p -49.75 175.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.448 . . . . 1.0 111.413 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -72.19 139.94 48.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.58 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -99.56 178.17 4.94 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.293 0.568 . . . . 1.0 111.817 -179.413 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.543 ' O ' ' CB ' ' A' ' 6' ' ' MET . 11.7 t90 -70.14 95.57 0.99 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.341 -0.845 . . . . 1.0 110.933 -179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.543 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 14.5 mtp 143.63 -26.73 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.888 0.742 . . . . 1.0 110.93 179.614 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -75.29 161.38 29.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.04 0.448 . . . . 1.0 111.16 -179.481 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.27 -178.1 1.96 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.168 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -156.86 110.28 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.71 179.519 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.13 -166.88 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.785 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.3 p -46.99 -28.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.98 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -170.32 55.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.372 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 -69.45 147.31 51.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.826 0.346 . . . . 1.0 110.522 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.4 105.98 11.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.706 -179.302 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.561 ' SG ' HD22 ' A' ' 19' ' ' LEU . 1.4 t -102.17 177.38 4.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.219 179.002 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 61.3 m -87.9 171.45 10.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.446 179.589 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -67.33 126.39 29.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.907 0.384 . . . . 1.0 111.238 -179.449 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.41 -0.07 40.34 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.767 -0.73 . . . . 1.0 113.118 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.561 HD22 ' SG ' ' A' ' 15' ' ' CYS . 3.2 mp -114.82 150.15 35.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.043 0.449 . . . . 1.0 111.286 -179.731 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.38 145.37 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.771 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 t -93.36 43.35 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.639 -179.501 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.49 83.55 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.515 -0.55 . . . . 1.0 109.515 178.84 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.993 HD23 ' CH2' ' A' ' 24' ' ' TRP . 2.5 tp 77.96 -58.6 0.46 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.483 -0.562 . . . . 1.0 109.483 -178.451 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.993 ' CH2' HD23 ' A' ' 23' ' ' LEU . 1.3 p90 -137.41 150.1 47.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.027 178.726 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 10.9 m -57.75 93.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.904 0.383 . . . . 1.0 110.853 -179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.27 166.95 13.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.705 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.647 ' O ' HD13 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -92.75 115.1 27.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.415 -179.661 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.647 HD13 ' O ' ' A' ' 27' ' ' LYS . 30.5 mm -144.98 118.88 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.008 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 mm -72.86 143.14 14.21 Favored 'Isoleucine or valine' 0 C--O 1.249 1.041 0 CA-C-O 118.216 -0.897 . . . . 1.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.784 0 O-C-N 123.536 0.523 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.843 0.354 . . . . 1.0 111.23 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.3 p -121.63 174.92 6.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.057 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.434 ' HB2' ' HA ' ' A' ' 15' ' ' CYS . 14.1 mt-30 -74.96 138.92 42.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.105 179.276 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.426 ' HE2' ' CZ2' ' A' ' 7' ' ' TRP . 13.1 mtmm -97.06 -178.09 4.08 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.185 0.516 . . . . 1.0 111.548 -179.352 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.451 ' CE3' ' CG ' ' A' ' 6' ' ' MET . 20.2 t90 -59.09 138.26 57.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.533 -0.758 . . . . 1.0 111.608 -179.307 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.451 ' CG ' ' CE3' ' A' ' 5' ' ' TRP . 0.9 OUTLIER 85.33 -9.2 0.82 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.66 -0.7 . . . . 1.0 112.272 179.203 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.426 ' CZ2' ' HE2' ' A' ' 4' ' ' LYS . 17.5 m95 -77.31 162.39 27.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.28 0.562 . . . . 1.0 111.094 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.39 177.01 4.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.308 -0.86 . . . . 1.0 111.641 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 t -165.25 111.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.184 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.2 -167.81 0.19 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.609 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.7 p -46.54 -28.57 1.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.763 179.696 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -168.9 60.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.121 179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -165.66 0.08 Allowed 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.605 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.54 96.3 4.92 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 -179.386 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 3' ' ' GLN . 1.8 t -103.06 174.46 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.039 178.795 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 64.2 m -78.04 168.99 19.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.55 179.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -13.4 62.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 1.0 111.841 -179.298 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.86 21.49 45.82 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.511 -0.852 . . . . 1.0 112.136 179.607 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 5' ' ' TRP . 33.8 mt -142.69 161.35 38.31 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.127 0.489 . . . . 1.0 111.708 -179.333 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 26' ' ' LYS . 21.4 t -108.19 122.65 62.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.26 179.422 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.03 69.06 5.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.977 0.418 . . . . 1.0 112.086 -179.014 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.479 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -118.19 74.81 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.861 -0.792 . . . . 1.0 108.861 178.403 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.479 ' CB ' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER 87.72 -39.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 -177.595 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.452 ' CE3' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -138.54 -171.93 3.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.286 -0.87 . . . . 1.0 109.553 178.85 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.8 m -108.31 75.85 1.0 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 178.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 20' ' ' VAL . 24.8 mmtt -95.78 126.59 41.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.74 -0.664 . . . . 1.0 111.04 -179.219 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' NZ ' HD11 ' A' ' 28' ' ' ILE . 8.4 tttt -59.5 147.72 35.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 1.0 111.112 -179.876 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.554 ' N ' HD13 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -46.59 153.73 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.552 -179.834 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.0 mt -77.01 153.11 5.6 Favored 'Isoleucine or valine' 0 C--O 1.249 1.048 0 CA-C-O 118.263 -0.875 . . . . 1.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.248 -3.807 0 O-C-N 123.517 0.511 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.804 0.335 . . . . 1.0 111.198 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 p -121.77 174.52 6.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 1.0 111.103 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.447 ' CG ' ' HD3' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -78.27 146.42 34.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.294 179.465 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 7' ' ' TRP . 17.1 mttm -103.1 -176.7 3.16 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.654 0.74 . . . . 1.0 112.264 -178.735 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.478 ' N ' HD11 ' A' ' 19' ' ' LEU . 17.2 t90 -57.01 145.61 29.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.054 -0.975 . . . . 1.0 111.129 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.461 ' HG3' ' CD2' ' A' ' 5' ' ' TRP . 0.1 OUTLIER 85.12 -14.91 0.56 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.796 -0.638 . . . . 1.0 112.368 179.406 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 4' ' ' LYS . 19.8 m95 -69.79 167.76 16.52 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.306 -0.558 . . . . 1.0 110.996 -179.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.3 163.61 27.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.784 -0.644 . . . . 1.0 112.221 -179.245 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.414 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 1.7 t -130.62 87.94 2.56 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.712 -0.676 . . . . 1.0 109.876 178.833 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -71.27 -174.1 0.97 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.636 -0.711 . . . . 1.0 110.761 -179.903 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 t -51.39 -26.51 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.535 179.399 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -167.48 57.0 0.07 Allowed 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.925 -0.58 . . . . 1.0 111.072 179.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.447 ' HD3' ' CG ' ' A' ' 3' ' ' GLN . 1.4 tmm_? -68.84 153.31 44.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.554 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -97.87 89.76 4.7 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.11 0.411 . . . . 1.0 112.11 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.529 ' SG ' HD13 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -96.66 -179.39 4.58 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.669 -0.493 . . . . 1.0 109.669 178.645 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.5 m -82.16 170.79 15.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.901 0.381 . . . . 1.0 111.048 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.8 -15.7 62.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.806 -179.401 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.87 23.26 33.75 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.572 -0.823 . . . . 1.0 112.244 179.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.529 HD13 ' SG ' ' A' ' 15' ' ' CYS . 24.5 mt -144.42 165.64 27.37 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.865 0.364 . . . . 1.0 111.221 -179.404 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.571 ' CG2' HD11 ' A' ' 28' ' ' ILE . 21.5 t -127.67 161.31 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.803 179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.498 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -99.74 115.08 28.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.424 0.63 . . . . 1.0 111.832 -179.639 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.45 79.65 0.09 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.127 -0.942 . . . . 1.0 109.001 179.519 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 78.42 -59.92 0.41 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.994 -0.743 . . . . 1.0 108.994 -177.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -139.69 145.26 38.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.965 178.569 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.458 ' HB3' HD13 ' A' ' 19' ' ' LEU . 52.7 m -49.8 102.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 1.0 110.804 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.6 ' HB3' HD12 ' A' ' 28' ' ' ILE . 9.7 mmtt -90.95 130.59 36.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.977 -179.646 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 5' ' ' TRP . 9.0 tttt -86.5 97.26 10.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.292 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.636 ' N ' HD13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -155.52 138.72 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.148 179.909 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.9 mt -77.2 -43.64 31.22 Favored 'Isoleucine or valine' 0 C--O 1.249 1.048 0 CA-C-O 118.257 -0.878 . . . . 1.0 111.1 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.78 0 O-C-N 123.531 0.52 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 t80 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.845 0.355 . . . . 1.0 111.188 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 p -50.9 176.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.348 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -73.03 136.75 45.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.758 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.4 ' HB2' ' NE1' ' A' ' 7' ' ' TRP . 39.9 mttt -87.29 -174.02 4.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.116 0.484 . . . . 1.0 111.493 -179.55 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.456 ' CD1' ' CB ' ' A' ' 27' ' ' LYS . 13.2 t90 -60.83 132.05 52.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.784 -0.644 . . . . 1.0 111.299 -179.793 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.3 ttp 70.07 15.18 7.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.769 -0.651 . . . . 1.0 112.372 178.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.4 ' NE1' ' HB2' ' A' ' 4' ' ' LYS . 7.5 m0 -84.9 178.34 7.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.943 0.402 . . . . 1.0 110.783 179.541 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -70.94 146.77 49.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.294 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -152.27 106.46 3.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.658 179.429 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -70.05 -167.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.846 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.2 p -47.17 -28.34 1.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.097 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -169.05 56.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.499 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -69.43 -168.92 0.18 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.574 179.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.66 90.17 3.27 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.804 0.335 . . . . 1.0 111.754 -179.441 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -90.09 -179.01 5.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.245 179.06 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.3 m -96.04 169.45 9.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.73 145.79 33.36 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.451 -179.659 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.88 -9.3 72.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.797 -0.716 . . . . 1.0 113.031 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.678 HD23 ' HA ' ' A' ' 27' ' ' LYS . 66.6 mt -110.89 153.86 24.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.008 0.432 . . . . 1.0 111.189 -179.75 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.7 t -115.17 142.29 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.614 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.33 114.83 26.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.326 0.584 . . . . 1.0 111.782 -179.478 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.37 75.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.226 -0.897 . . . . 1.0 109.081 179.561 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.682 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 79.43 -56.92 0.41 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 -177.905 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.682 ' CZ3' HD12 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -130.86 144.89 51.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.642 -0.708 . . . . 1.0 109.821 178.522 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 16.4 m -71.57 107.49 4.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.893 0.378 . . . . 1.0 110.971 -179.624 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.38 123.37 36.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.996 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HA ' HD23 ' A' ' 19' ' ' LEU . 7.0 ttmt -84.87 81.26 8.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.838 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.627 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.3 pp -159.98 162.34 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.111 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.0 mt -77.83 112.6 15.99 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 CA-C-O 118.235 -0.888 . . . . 1.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.787 0 O-C-N 123.527 0.517 . . . . 1.0 . . . . . . . . . . 0 0 . 1 stop_ save_