data_2lhc_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 2lhc _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 ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.647 0.261 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -35.52 -51.7 0.64 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.062 -179.664 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -37.99 4.84 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.052 0.453 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -80.86 -32.4 35.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.723 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.521 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -59.64 -36.86 77.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.404 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 18.5 tt0 -77.33 -32.35 55.18 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.632 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 6.1 mm-40 -51.74 -49.13 63.17 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.398 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.36 -44.12 59.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.01 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 30' ' ' PHE . 2.1 mm -54.41 -43.81 64.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.525 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -63.73 -48.04 78.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -67.19 -36.26 81.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.649 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 3.4 mp -66.25 -45.21 81.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.527 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.31 -30.82 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.869 0.366 . . . . 0.0 111.395 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.49 -24.39 60.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.299 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.91 146.03 36.89 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.89 114.45 1.82 Allowed Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.632 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.649 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 15.1 t -138.14 -159.35 0.95 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.164 0.507 . . . . 0.0 112.358 -177.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.456 ' O ' ' CD2' ' A' ' 29' ' ' TYR . . . -133.63 105.07 6.65 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.254 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -34.73 -34.31 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.028 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -48.55 -25.68 1.83 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.637 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.456 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 29.7 m-85 -71.47 -54.84 9.27 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.4 p90 -60.76 -24.16 65.53 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.967 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.49 -32.53 28.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.084 0.469 . . . . 0.0 110.128 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.57 -40.31 61.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.937 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.445 HD11 ' HA ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -73.36 -44.36 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.433 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.55 -25.87 60.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.887 0.375 . . . . 0.0 110.764 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -78.7 -24.1 45.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.807 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.91 136.91 58.22 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.85 0.357 . . . . 0.0 111.067 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -27.45 50.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.1 p -104.06 139.25 39.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.601 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -66.14 -37.18 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.306 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -53.32 -27.17 21.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.28 -31.91 49.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.042 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.439 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 92.4 t -81.64 -43.11 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.772 0.32 . . . . 0.0 111.39 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.459 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 65.7 m95 -67.49 -29.14 68.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.01 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.1 t -77.96 -47.44 18.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.991 0.424 . . . . 0.0 110.083 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.403 ' O ' HG12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.33 -38.17 82.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.961 179.173 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -65.22 -32.96 74.9 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.053 179.383 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 74.6 m-20 -62.21 -34.71 76.99 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.35 -28.56 66.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.067 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.426 HG13 HD13 ' A' ' 20' ' ' LEU . 19.9 mm . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.6 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.666 0.27 . . . . 0.0 111.014 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.506 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 3.9 mmtp -39.77 -51.96 2.34 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.535 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -48.13 -37.36 15.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.181 0.515 . . . . 0.0 110.461 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -80.37 -31.54 37.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.678 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.506 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.2 -36.68 80.53 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.322 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.419 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 7.0 mm-40 -76.06 -31.8 58.97 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.648 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 8.6 mm-40 -53.15 -49.26 66.96 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.568 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.31 -42.36 62.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.964 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 5.8 mt -55.9 -46.9 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.592 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -51.41 69.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.179 0.514 . . . . 0.0 110.412 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.92 -39.23 88.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.425 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.635 ' HA ' HG22 ' A' ' 25' ' ' THR . 3.3 mp -60.41 -25.57 66.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.405 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 0.5 OUTLIER -81.51 -30.95 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.016 0.436 . . . . 0.0 110.253 179.296 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -24.64 66.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.408 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.32 151.99 50.19 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.571 0.224 . . . . 0.0 111.567 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.63 -43.78 8.08 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.312 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.635 HG22 ' HA ' ' A' ' 20' ' ' LEU . 15.0 t 29.93 -148.29 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 178.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 29' ' ' TYR . . . -154.93 131.59 10.63 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -49.35 -34.13 15.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.83 -179.491 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -44.97 -27.48 0.55 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.386 0.514 . . . . 0.0 112.386 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.472 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 26.0 m-85 -72.73 -54.82 7.9 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.453 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.1 p90 -60.22 -23.93 64.43 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.14 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.29 -32.45 26.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.035 0.445 . . . . 0.0 110.393 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -29.9 59.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.992 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -86.64 -44.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.791 -179.544 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.4 -24.64 31.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.998 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -80.41 -24.02 39.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.763 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.14 132.06 52.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.874 0.369 . . . . 0.0 110.925 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -24.24 58.09 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.344 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.4 p -105.76 138.73 41.45 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.736 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.6 m -66.24 -38.02 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.3 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.01 -27.84 21.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.268 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.79 -34.67 42.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.004 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.446 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 81.5 t -78.86 -44.54 25.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.783 0.325 . . . . 0.0 111.266 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.512 ' HA ' ' HG2' ' A' ' 46' ' ' LYS . 61.5 m95 -65.28 -29.16 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.766 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 p -75.59 -46.8 29.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.512 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -63.58 -43.61 96.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.092 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.512 ' HG2' ' HA ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -62.11 -33.18 73.97 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.114 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -62.91 -35.78 81.19 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -28.91 69.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.043 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.418 HD11 ' CG ' ' A' ' 29' ' ' TYR . 38.3 mm . . . . . 0 N--CA 1.455 -0.212 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.424 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.646 0.26 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.508 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 12.4 mmtm -35.27 -47.9 0.43 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.319 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -46.11 -34.33 4.12 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.122 0.487 . . . . 0.0 110.728 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.437 ' CB ' ' HB ' ' A' ' 42' ' ' VAL . . . -83.55 -32.44 25.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.633 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.19 -37.1 81.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.199 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -77.26 -31.86 55.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.79 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 6.6 mm-40 -52.15 -49.18 64.26 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.298 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.59 -41.59 62.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.097 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.7 mt -55.79 -48.85 77.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.658 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -44.73 96.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.769 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.98 -34.31 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.445 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.593 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 3.4 mp -67.5 -43.11 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.276 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.2 t -69.05 -30.67 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -24.43 60.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.338 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.92 150.19 52.19 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.974 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.99 66.24 0.48 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.701 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.593 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 1.2 t -102.14 -163.44 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 122.702 0.401 . . . . 0.0 110.669 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.565 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -101.97 140.28 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.686 0.279 . . . . 0.0 110.987 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.487 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 6.7 mm-40 -70.28 -34.35 72.68 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.516 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -48.4 -29.04 3.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.649 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.466 ' HB2' HD23 ' A' ' 20' ' ' LEU . 20.3 m-85 -61.78 -54.47 41.96 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.513 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.5 p90 -61.53 -24.36 66.57 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.593 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 4.5 mttt -86.27 -30.66 22.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.064 0.459 . . . . 0.0 110.402 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 mt -78.93 -29.06 43.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.804 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.422 ' CG1' ' HA ' ' A' ' 30' ' ' PHE . 1.2 pp -87.59 -41.24 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.542 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.48 -23.79 17.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.677 0.275 . . . . 0.0 111.467 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -87.04 -18.15 31.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.376 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.44 121.46 12.16 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.73 0.3 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -29.43 70.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.849 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.5 p -98.32 140.17 32.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 m -71.01 -40.31 75.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.299 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.25 -25.28 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.137 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.83 -37.79 32.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.832 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.437 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 78.9 t -74.88 -47.06 38.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.797 0.332 . . . . 0.0 111.176 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.467 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 64.5 m95 -63.17 -29.17 70.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.581 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -70.65 -56.0 7.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.016 0.436 . . . . 0.0 110.2 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -34.77 64.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.064 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -60.75 -44.5 96.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.046 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.61 -34.7 65.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.075 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.81 -36.99 81.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.217 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.449 HG23 HG22 ' A' ' 25' ' ' THR . 26.6 mm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.772 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.654 0.264 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.494 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -40.17 -51.74 2.64 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.497 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -45.48 -33.68 2.8 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.159 0.504 . . . . 0.0 110.46 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -84.27 -34.94 23.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.647 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.494 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -59.62 -36.88 77.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.333 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.424 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 37.9 tp10 -77.98 -31.79 50.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.735 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.481 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.4 mm-40 -52.05 -49.03 64.26 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.376 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.6 -42.85 60.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.027 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mt -55.03 -48.38 75.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.702 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.49 -43.32 99.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -73.17 -34.11 65.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.481 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.655 ' HA ' HG22 ' A' ' 25' ' ' THR . 2.9 mp -67.16 -38.71 85.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 111.253 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 t -74.42 -30.84 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.063 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -24.51 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.99 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.12 150.59 52.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.824 0.345 . . . . 0.0 111.855 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.32 71.0 0.34 Allowed Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.442 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.655 HG22 ' HA ' ' A' ' 20' ' ' LEU . 1.6 t -107.08 -164.34 0.98 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.43 0.292 . . . . 0.0 110.885 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.544 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -103.04 143.0 33.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.709 0.29 . . . . 0.0 111.298 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.506 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 1.6 mm-40 -70.17 -35.13 73.77 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.563 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -46.25 -31.44 2.5 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.933 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.46 ' HB2' HD21 ' A' ' 20' ' ' LEU . 18.7 m-85 -61.82 -54.53 40.95 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.531 ' HB3' HD23 ' A' ' 20' ' ' LEU . 1.3 p90 -61.36 -24.07 66.22 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.779 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.48 -40.41 19.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.155 0.503 . . . . 0.0 110.162 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -36.38 80.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.459 HD13 ' HA ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -77.28 -45.06 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.643 -179.66 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.3 -25.13 47.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.95 0.405 . . . . 0.0 110.715 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -80.12 -18.63 49.32 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.776 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.04 141.78 58.04 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.761 0.315 . . . . 0.0 110.917 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.16 -28.91 29.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.782 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.2 p -103.14 140.07 37.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.704 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.6 m -65.84 -38.68 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.47 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.28 -27.25 14.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.231 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.81 -38.99 29.91 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.885 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.434 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 76.9 t -73.95 -46.89 44.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.793 0.33 . . . . 0.0 111.251 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.481 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 66.4 m95 -63.54 -29.56 70.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.739 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -70.29 -55.86 8.17 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.988 0.423 . . . . 0.0 110.223 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.61 -35.91 66.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.068 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -41.55 89.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.971 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -58.74 -34.04 70.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.953 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.15 -24.0 64.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.439 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.465 HG13 ' CD1' ' A' ' 20' ' ' LEU . 21.6 mm . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.897 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.588 0.232 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.536 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -51.98 -51.67 55.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.958 0.409 . . . . 0.0 110.048 179.046 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -50.9 -36.46 38.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.149 0.499 . . . . 0.0 110.199 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.428 ' CB ' ' HB ' ' A' ' 42' ' ' VAL . . . -81.32 -30.89 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.854 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.536 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -60.82 -37.32 81.61 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.541 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.4 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 9.4 pt-20 -77.93 -32.05 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.734 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.469 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 7.3 mm-40 -50.76 -49.06 58.94 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.27 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.01 -42.79 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.982 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.3 mt -55.4 -49.46 72.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.988 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -47.01 88.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.22 -35.35 79.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.249 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.674 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 3.7 mp -64.15 -45.13 89.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.444 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 t -68.35 -30.79 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.934 0.397 . . . . 0.0 111.159 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.45 -24.54 62.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.25 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.2 146.07 36.44 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.89 114.07 1.42 Allowed Glycine 0 C--N 1.338 0.673 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.674 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 14.1 t -139.58 -158.11 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.255 0.55 . . . . 0.0 112.325 -178.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.457 ' CB ' ' CE2' ' A' ' 29' ' ' TYR . . . -136.36 106.02 6.17 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.263 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.4 mm-40 -34.85 -34.15 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.611 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -51.06 -24.1 3.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.912 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.457 ' CE2' ' CB ' ' A' ' 26' ' ' ALA . 35.2 m-85 -70.7 -54.78 10.5 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 27' ' ' GLU . 1.9 p90 -61.38 -24.16 66.29 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.757 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -30.59 33.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.116 0.484 . . . . 0.0 110.068 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.11 -44.59 37.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.855 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -68.27 -45.46 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.413 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.0 -27.26 61.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.01 0.433 . . . . 0.0 110.638 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -75.66 -23.84 56.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.633 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.76 -176.47 0.01 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.987 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 1.1 mptt -139.22 21.36 2.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.977 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.3 p -149.79 139.61 21.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.652 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 m -60.47 -37.94 76.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.178 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.454 ' O ' ' CG2' ' A' ' 44' ' ' THR . 5.7 mm-40 -64.08 -25.65 68.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.365 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.425 ' O ' HG21 ' A' ' 44' ' ' THR . . . -76.18 -42.32 24.22 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.427 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.428 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 76.7 t -79.74 -46.3 22.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.786 0.327 . . . . 0.0 111.312 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.469 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 55.2 m95 -62.93 -30.4 71.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.301 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 40' ' ' GLU . 11.7 t -75.63 -48.56 21.66 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mp -57.24 -35.6 69.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.203 0.525 . . . . 0.0 109.63 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -62.77 -39.55 94.54 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.929 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -59.47 -34.34 72.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.04 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.94 -32.51 73.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.285 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.427 HG13 HD13 ' A' ' 20' ' ' LEU . 21.0 mm . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.779 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.547 0.213 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -37.5 -51.56 1.15 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.819 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.36 -36.08 3.99 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.137 0.494 . . . . 0.0 110.679 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -82.37 -33.78 28.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.656 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.458 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.16 -36.45 79.84 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 2.2 mm-40 -75.66 -31.85 59.94 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.595 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 9.3 mm-40 -53.24 -49.25 67.24 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.587 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.39 -45.23 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.079 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 mt -54.97 -43.61 69.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -63.68 -47.71 80.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -68.98 -37.05 78.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.359 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.649 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 3.4 mp -64.74 -45.01 88.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.62 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.79 -30.86 49.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.982 0.42 . . . . 0.0 111.274 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.4 -24.41 61.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.315 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.61 145.9 35.58 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.96 112.97 1.22 Allowed Glycine 0 C--N 1.336 0.56 0 C-N-CA 120.877 -0.677 . . . . 0.0 111.644 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.649 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 15.3 t -135.84 -158.16 0.85 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.172 0.511 . . . . 0.0 112.223 -177.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.474 ' O ' ' CD2' ' A' ' 29' ' ' TYR . . . -134.6 106.62 7.07 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.776 178.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 3.7 mp0 -34.63 -34.34 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.371 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -49.93 -24.15 2.37 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.474 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 36.5 m-85 -73.48 -54.8 7.39 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 27' ' ' GLU . 1.9 p90 -62.52 -23.94 67.23 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.2 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -81.54 -34.42 31.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.09 0.472 . . . . 0.0 110.185 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -35.77 69.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.827 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -78.65 -44.86 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.556 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.09 -25.66 46.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.78 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -79.19 -23.59 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.756 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.86 133.0 54.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.828 0.347 . . . . 0.0 111.031 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.16 -25.91 58.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.668 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.6 p -104.29 138.82 40.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.869 0.366 . . . . 0.0 110.791 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.2 m -66.14 -40.27 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.437 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -51.53 -26.63 8.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.179 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.73 -37.3 30.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.799 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.43 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 71.0 t -73.67 -47.04 45.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.745 0.307 . . . . 0.0 111.149 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.475 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 66.1 m95 -62.55 -35.37 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.593 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.3 p -64.4 -54.92 25.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.023 0.439 . . . . 0.0 110.24 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.1 -37.88 64.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.127 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -46.06 76.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.121 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -56.71 -33.9 66.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.863 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.66 -23.8 63.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.512 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.402 HG13 HD11 ' A' ' 20' ' ' LEU . 21.5 mm . . . . . 0 C--N 1.333 -0.128 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.735 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.707 0.289 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.527 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -45.79 -52.19 11.56 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.079 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -50.6 -34.04 24.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.132 0.491 . . . . 0.0 110.278 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -81.9 -31.28 31.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.654 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -59.99 -36.96 78.3 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.373 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.413 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 20.9 pt-20 -78.52 -31.95 47.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.834 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.496 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.0 mm-40 -51.24 -49.26 61.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.322 179.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.26 -42.27 59.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.074 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.3 mt -56.3 -48.52 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.684 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -61.53 -43.09 99.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -73.7 -33.85 64.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.529 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.588 ' HA ' HG22 ' A' ' 25' ' ' THR . 3.2 mp -67.51 -37.12 82.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.209 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 t -75.77 -30.72 21.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.017 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.04 -24.37 61.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.943 -0.572 . . . . 0.0 112.053 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.89 150.74 51.91 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.858 0.361 . . . . 0.0 111.75 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.6 69.46 0.73 Allowed Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.588 HG22 ' HA ' ' A' ' 20' ' ' LEU . 1.3 t -101.78 -143.0 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 122.274 0.23 . . . . 0.0 110.446 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.474 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -131.96 131.4 42.57 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 111.873 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.6 pt-20 -54.18 -33.95 59.32 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.551 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -48.11 -20.85 0.39 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.479 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 28.8 m-85 -79.08 -46.79 17.36 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.3 p90 -66.97 -24.26 66.04 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.289 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -32.48 22.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 110.459 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.91 -30.75 62.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.653 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -82.73 -45.01 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.722 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.59 -23.56 41.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 110.891 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -83.13 -21.71 33.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.49 145.41 39.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.702 0.287 . . . . 0.0 110.971 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.7 19.26 11.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.083 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -152.06 136.94 17.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.681 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.4 m -61.32 -44.77 99.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.593 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.27 -27.6 9.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.296 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.93 -41.26 23.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.001 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.422 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 76.1 t -72.74 -48.03 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.716 0.294 . . . . 0.0 111.315 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.496 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 64.5 m95 -61.36 -33.2 73.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.6 p -67.01 -54.74 18.79 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.007 0.432 . . . . 0.0 110.188 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.77 -35.14 55.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.257 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -61.42 -45.18 95.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.214 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -33.5 62.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.256 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -69.25 -35.89 76.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.182 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.456 HG13 ' CD1' ' A' ' 20' ' ' LEU . 19.6 mm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.73 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER . . . . . 0 CA--C 1.526 0.04 0 CA-C-O 120.56 0.219 . . . . 0.0 111.355 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.52 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -35.61 -51.83 0.66 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.327 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -47.27 -37.44 10.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.131 0.491 . . . . 0.0 110.694 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -82.18 -32.31 30.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.129 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -59.52 -37.11 77.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.425 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 10.9 pt-20 -78.06 -32.19 50.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.776 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.474 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 4.7 mm-40 -50.48 -49.17 56.07 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.242 178.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 -46.42 49.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.902 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 mt -52.5 -44.13 43.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -48.77 71.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.071 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.45 -37.58 83.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.464 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.659 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 3.4 mp -64.26 -45.19 89.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.616 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.3 t -67.0 -30.78 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.874 0.369 . . . . 0.0 111.288 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -24.55 60.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.1 146.31 38.72 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.68 112.86 1.15 Allowed Glycine 0 C--N 1.335 0.513 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.784 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.659 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 14.8 t -138.83 -158.95 0.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.268 0.556 . . . . 0.0 112.056 -178.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.475 ' CB ' ' CE2' ' A' ' 29' ' ' TYR . . . -131.63 100.69 5.21 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.901 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 1.9 pt-20 -34.84 -34.14 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.596 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -48.87 -24.55 1.5 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.455 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.475 ' CE2' ' CB ' ' A' ' 26' ' ' ALA . 17.4 m-85 -71.47 -54.73 9.62 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.8 p90 -61.48 -24.64 66.72 Favored 'General case' 0 N--CA 1.461 0.113 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.995 -179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -28.75 32.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.05 0.452 . . . . 0.0 110.046 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.82 -39.97 29.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.855 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -70.35 -44.97 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.366 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.87 -23.23 42.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.373 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -95.95 -9.56 30.89 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.915 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.63 -26.4 32.66 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 67.23 15.94 10.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.771 0.319 . . . . 0.0 110.649 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.91 145.25 32.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.47 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 m -75.75 -48.29 30.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.77 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -59.19 -25.97 64.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 111.431 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.49 -39.4 25.98 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.35 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.445 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 89.9 t -74.42 -46.78 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.821 0.344 . . . . 0.0 111.497 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.474 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 58.4 m95 -62.46 -37.3 85.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.689 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.4 p -64.99 -53.73 41.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.946 0.403 . . . . 0.0 110.258 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.55 -33.16 67.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.367 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -60.96 -40.88 95.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.324 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.84 -33.81 76.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.376 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.69 -40.49 97.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.582 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.503 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.477 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 12' ' ' ALA . 3.3 mt . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.537 0.208 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.496 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 21.9 mmtt -37.71 -51.93 1.25 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.728 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -47.43 -35.3 8.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.182 0.515 . . . . 0.0 110.437 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . -82.65 -33.34 27.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.723 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.496 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -60.74 -36.96 80.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.461 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 4.0 tp10 -77.5 -31.77 53.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.751 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.494 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 12.7 mm-40 -52.64 -49.17 65.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.419 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.99 -41.85 61.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.454 HG23 HD11 ' A' ' 17' ' ' ILE . 9.9 mt -56.71 -48.99 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -61.68 -40.36 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -75.28 -33.93 61.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.485 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.66 ' HA ' HG22 ' A' ' 25' ' ' THR . 1.9 mp -66.99 -39.57 87.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.0 t -74.85 -30.76 24.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.027 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.33 -24.49 63.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.025 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.72 150.52 51.86 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.737 0.304 . . . . 0.0 111.795 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.66 67.67 0.28 Allowed Glycine 0 CA--C 1.518 0.223 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.704 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.66 HG22 ' HA ' ' A' ' 20' ' ' LEU . 1.6 t -107.14 -175.58 2.83 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 122.532 0.333 . . . . 0.0 110.835 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.468 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -89.84 161.45 15.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.372 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 1.5 pm0 -85.31 -33.96 21.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.969 0.414 . . . . 0.0 111.551 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -42.83 -35.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.909 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.443 ' CG ' HD13 ' A' ' 49' ' ' ILE . 36.0 m-85 -55.52 -54.62 41.69 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.487 ' HB3' HD23 ' A' ' 20' ' ' LEU . 1.5 p90 -65.07 -24.02 67.34 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.995 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.418 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 2.1 mtmp? -83.83 -33.13 24.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.01 0.433 . . . . 0.0 110.473 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mt -78.47 -32.53 48.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.124 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 13' ' ' LYS . 1.1 pp -79.87 -46.26 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.638 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.44 -25.9 27.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.881 0.372 . . . . 0.0 110.696 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -77.89 -28.59 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.562 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -60.01 133.62 56.27 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.944 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.46 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -86.12 -7.31 58.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.924 179.568 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.5 p -110.85 137.85 47.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.817 0.341 . . . . 0.0 110.377 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.4 m -67.37 -43.41 87.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.34 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -55.03 -24.24 23.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.167 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.84 -43.36 18.06 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.216 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.427 HG13 ' CB ' ' A' ' 12' ' ' ALA . 73.6 t -71.48 -45.88 66.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.631 0.253 . . . . 0.0 111.426 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 62.5 m95 -63.78 -33.25 75.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.861 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -66.28 -55.82 14.21 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.95 0.405 . . . . 0.0 110.232 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.412 ' HB2' ' CG2' ' A' ' 33' ' ' ILE . 3.0 mm? -53.86 -35.54 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.081 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -42.16 87.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.031 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -59.14 -33.43 70.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.079 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -68.96 -24.89 64.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.644 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.443 HD13 ' CG ' ' A' ' 29' ' ' TYR . 12.0 mm . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.041 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 120.664 0.269 . . . . 0.0 111.415 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.489 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 26.3 mmtp -37.74 -51.78 1.26 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.907 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -37.55 12.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.004 0.431 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -84.5 -36.97 21.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.049 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -60.05 -36.68 77.84 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.301 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.403 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 8.0 pt-20 -76.32 -31.87 58.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.934 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.474 ' CG ' ' CH2' ' A' ' 43' ' ' TRP . 7.3 mm-40 -53.51 -49.61 67.2 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.508 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.23 -42.76 54.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.881 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.5 mt -57.79 -46.54 87.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.298 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -58.91 -44.69 91.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -72.48 -34.24 67.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.627 ' HA ' HG21 ' A' ' 25' ' ' THR . 4.4 mp -73.47 -24.46 60.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.7 t -80.96 -30.94 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.91 0.386 . . . . 0.0 110.54 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.73 -24.55 53.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.319 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 25' ' ' THR . . . -134.58 155.44 50.42 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.987 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.86 -52.33 51.61 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.839 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.627 HG21 ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 35.79 -104.83 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 179.559 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' CB ' ' CE2' ' A' ' 29' ' ' TYR . . . 177.6 128.27 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.923 0.392 . . . . 0.0 111.265 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 2.2 pt-20 -56.5 -34.07 66.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.975 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.66 -22.9 0.33 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.476 ' CE2' ' CB ' ' A' ' 26' ' ' ALA . 25.3 m-85 -81.19 -54.08 5.82 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.491 ' HB3' HD23 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -57.31 -24.15 53.17 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.164 -179.398 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.67 -32.16 23.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.021 0.439 . . . . 0.0 110.336 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -29.36 61.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.794 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 13' ' ' LYS . 1.1 pp -85.59 -44.63 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.679 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.68 -25.11 38.06 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.854 0.359 . . . . 0.0 110.924 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -80.56 -19.96 44.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.9 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.66 109.91 6.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.173 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 13.3 mttm -59.6 -20.71 57.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.986 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.3 p -94.78 140.3 30.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.854 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.3 m -73.83 -41.96 53.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.359 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -55.21 -23.93 24.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.494 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.35 -35.77 32.51 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.307 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.435 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 79.3 t -78.75 -42.89 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.674 0.273 . . . . 0.0 111.417 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.474 ' CH2' ' CG ' ' A' ' 15' ' ' GLU . 65.1 m95 -68.69 -30.28 68.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.369 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -75.38 -51.21 13.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.168 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.4 ' O ' HG12 ' A' ' 49' ' ' ILE . 10.7 tp -59.39 -32.72 70.41 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -38.5 91.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.915 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -60.72 -37.67 82.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.856 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -63.32 -37.85 88.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.248 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.436 HD12 ' CD2' ' A' ' 29' ' ' TYR . 21.4 mm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.757 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.669 0.271 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -42.7 -51.96 5.1 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 179.748 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -47.42 -34.94 7.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.12 0.486 . . . . 0.0 110.389 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.438 ' CB ' ' HB ' ' A' ' 42' ' ' VAL . . . -83.15 -33.19 26.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.669 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.521 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -60.24 -37.17 79.54 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.363 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.4 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 19.5 tp10 -77.77 -31.8 52.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.82 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.473 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 11.2 mm-40 -52.23 -49.27 64.31 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.422 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.88 -42.0 61.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.055 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.9 mt -53.87 -48.24 62.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.826 0.346 . . . . 0.0 110.68 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -45.12 93.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.27 -35.12 73.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.445 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.597 ' HA ' HG23 ' A' ' 25' ' ' THR . 3.2 mp -68.5 -38.2 80.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.422 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -74.56 -30.75 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -72.06 -24.58 61.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.036 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.23 147.87 50.76 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 112.012 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.34 69.26 0.51 Allowed Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.463 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.597 HG23 ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -94.81 -97.65 0.16 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.211 0.204 . . . . 0.0 111.209 -179.609 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.466 ' CB ' ' CE2' ' A' ' 29' ' ' TYR . . . -178.71 126.21 0.1 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.79 0.328 . . . . 0.0 111.114 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.2 pt-20 -53.25 -34.19 56.15 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -50.4 -19.57 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.535 ' HB2' HD22 ' A' ' 20' ' ' LEU . 33.9 m-85 -82.26 -42.92 18.23 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.4 p90 -69.8 -24.09 63.43 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.947 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.35 -35.6 27.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.094 0.473 . . . . 0.0 110.142 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.15 -38.45 72.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.812 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 13' ' ' LYS . 1.1 pp -75.06 -43.4 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.549 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.69 -24.39 34.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.895 0.378 . . . . 0.0 110.861 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -81.83 -21.77 37.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.846 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.74 136.47 58.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.723 0.296 . . . . 0.0 110.96 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -77.91 -27.68 49.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.9 p -107.1 138.11 43.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.7 m -63.63 -40.39 88.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.406 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.77 -28.22 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.374 . . . . 0.0 111.252 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.03 -37.87 31.71 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.007 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.438 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 79.4 t -75.33 -46.9 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.76 0.314 . . . . 0.0 111.249 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.473 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 63.3 m95 -63.37 -29.66 70.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.674 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 p -73.4 -38.42 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.022 0.439 . . . . 0.0 110.215 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mp -75.27 -29.0 60.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.643 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -71.14 -30.57 66.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.867 0.365 . . . . 0.0 110.333 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -76.41 -39.52 53.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.009 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -37.8 80.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.309 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.495 HG13 HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.634 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.585 0.231 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.531 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 1.1 pmtt? -39.88 -51.86 2.42 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.642 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -36.58 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.15 0.5 . . . . 0.0 110.466 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -79.03 -30.2 44.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.444 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.531 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -59.92 -37.12 78.55 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.189 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 7.6 tp10 -77.42 -31.76 54.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.761 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 9.7 mm-40 -52.21 -48.92 64.83 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.187 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.35 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.775 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' A' ' 30' ' ' PHE . 2.2 mm -52.88 -44.09 48.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.624 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -49.0 72.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.77 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.14 -34.63 78.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.683 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 3.3 mp -67.54 -45.2 76.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.517 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.8 t -69.38 -30.81 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.877 0.37 . . . . 0.0 111.503 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -74.09 -24.4 59.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.323 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.9 146.78 39.69 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.13 115.78 2.59 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.642 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.683 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 14.6 t -140.75 -155.27 0.57 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.197 0.522 . . . . 0.0 112.4 -178.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.469 ' O ' ' CD2' ' A' ' 29' ' ' TYR . . . -139.98 107.42 5.56 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.757 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.465 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -34.8 -34.12 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.127 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.45 -24.92 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.469 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 37.6 m-85 -71.26 -54.8 9.66 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.6 p90 -60.42 -24.02 64.83 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.872 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -82.0 -34.77 29.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.132 0.491 . . . . 0.0 110.051 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.13 -44.55 62.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 13' ' ' LYS . 1.1 pp -69.67 -42.58 80.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.427 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.6 -23.62 51.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.961 0.41 . . . . 0.0 110.863 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -83.15 -21.05 33.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.58 145.22 40.2 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.808 0.337 . . . . 0.0 111.047 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -29.59 26.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.256 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.6 p -107.99 139.07 43.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.08 -36.97 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.333 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -51.92 -28.11 15.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.208 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.8 -34.24 43.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.91 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 94.1 t -79.05 -44.52 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.811 0.339 . . . . 0.0 111.244 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.46 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 67.5 m95 -65.97 -26.48 67.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.816 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 p -78.52 -43.97 25.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.429 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.28 -43.93 84.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.745 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -61.6 -38.56 88.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.099 179.711 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -58.83 -37.8 77.25 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.71 -26.04 68.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.03 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.485 HG13 HD13 ' A' ' 20' ' ' LEU . 17.7 mm . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.522 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.539 0.209 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 11.1 mttp -35.17 -51.69 0.56 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.062 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.45 -38.75 2.95 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.215 0.531 . . . . 0.0 110.599 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -79.79 -37.09 35.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.735 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.526 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -54.91 -36.32 65.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.432 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 5.8 tp10 -77.75 -31.8 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.835 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 7.2 mm-40 -53.36 -49.95 66.09 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.768 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.24 -43.34 21.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.872 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.6 mt -54.1 -43.15 58.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.294 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -65.36 -49.71 68.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.428 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.46 -39.9 94.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.287 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.695 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 1.2 mp -65.76 -45.19 83.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.706 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.9 t -68.59 -30.69 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.904 0.383 . . . . 0.0 111.184 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.05 -24.5 61.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.143 -179.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.49 145.44 36.9 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.6 113.26 1.47 Allowed Glycine 0 C--N 1.336 0.551 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.904 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.695 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 11.9 t -137.09 -160.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.353 0.597 . . . . 0.0 112.185 -177.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.461 ' CB ' ' CZ ' ' A' ' 29' ' ' TYR . . . -125.91 103.52 7.81 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.613 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.5 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 5.4 pt-20 -34.68 -34.29 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.682 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -48.51 -23.54 1.01 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.461 ' CZ ' ' CB ' ' A' ' 26' ' ' ALA . 2.4 m-30 -74.45 -54.74 6.97 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.4 p90 -62.37 -24.08 67.16 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.398 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -82.25 -26.2 33.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 0.0 110.456 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -33.39 30.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.49 HD11 ' CG1' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -77.34 -44.99 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.377 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.75 -24.74 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -81.46 -25.91 35.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.96 123.86 20.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.049 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -65.2 -29.27 70.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.6 p -97.74 140.27 32.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.5 m -70.8 -34.97 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.273 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.52 -25.87 18.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.985 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.46 -35.46 36.95 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.495 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.49 ' CG1' HD11 ' A' ' 33' ' ' ILE . 93.4 t -75.15 -48.62 31.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.321 -0.44 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.471 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 75.4 m95 -62.11 -30.48 71.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.436 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 p -68.0 -51.67 44.53 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -31.79 69.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.686 178.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 3.5 ttpt -61.18 -34.84 75.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.589 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -67.7 -29.89 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.621 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -53.19 38.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.527 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.426 ' CG2' ' O ' ' A' ' 46' ' ' LYS . 2.0 tp . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.843 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.506 ' CD1' ' HA ' ' A' ' 37' ' ' LYS . 8.0 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.681 0.276 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.447 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -39.82 -52.03 2.37 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.038 -179.331 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -53.99 -35.29 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.428 ' HB1' ' CD1' ' A' ' 43' ' ' TRP . . . -84.71 -34.01 23.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.276 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -61.03 -36.97 80.95 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.425 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.46 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 23.8 tt0 -76.83 -33.5 57.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.518 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.0 mm-40 -50.27 -49.12 54.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.262 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.26 -47.17 52.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.918 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 mt -54.89 -42.54 63.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.021 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -48.27 77.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -69.87 -33.9 72.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.288 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.674 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 3.3 mp -67.17 -45.14 77.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.604 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.2 t -69.08 -30.65 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.841 0.353 . . . . 0.0 111.374 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.71 -24.47 59.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.283 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.24 146.71 38.99 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.1 115.37 2.33 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.006 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.674 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 14.5 t -140.62 -157.59 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.351 0.596 . . . . 0.0 111.985 -177.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.464 ' CB ' ' CE2' ' A' ' 29' ' ' TYR . . . -134.18 104.01 6.01 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.074 -0.967 . . . . 0.0 109.776 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -34.79 -34.33 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.6 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -51.56 -23.17 3.85 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.464 ' CE2' ' CB ' ' A' ' 26' ' ' ALA . 35.8 m-85 -69.36 -54.77 12.81 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.509 ' HA ' ' CG1' ' A' ' 33' ' ' ILE . 2.5 p90 -66.5 -23.92 66.32 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.069 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -78.07 -23.49 48.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.041 0.448 . . . . 0.0 110.098 179.115 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.12 -41.97 13.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.325 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.509 ' CG1' ' HA ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -68.62 -43.94 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.809 -179.492 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.65 -23.31 16.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -100.5 0.09 38.9 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.15 76.05 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.506 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 9.1 mmmm 76.52 7.29 3.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.019 0.438 . . . . 0.0 110.858 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.4 p -137.0 139.65 41.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.188 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.5 m -70.4 -48.3 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.595 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.46 -25.09 61.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.247 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.2 -42.71 18.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.423 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.418 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 69.8 t -72.35 -47.22 53.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.788 0.328 . . . . 0.0 111.238 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.463 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 57.8 m95 -61.28 -38.4 86.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.82 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.9 p -63.82 -50.81 67.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.977 0.417 . . . . 0.0 110.155 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.67 -38.0 69.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.222 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -45.82 82.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.211 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -57.97 -31.39 66.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.112 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.27 -23.84 62.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.583 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.429 HD13 HG23 ' A' ' 49' ' ' ILE . 19.2 mm . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.4 OUTLIER . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.682 0.277 . . . . 0.0 110.724 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.491 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -41.08 -51.91 3.29 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.752 -179.614 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -36.3 25.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.02 0.438 . . . . 0.0 110.625 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -85.45 -37.69 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.257 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.491 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -59.07 -36.92 75.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.433 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -77.36 -31.98 54.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.667 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.478 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 8.9 mm-40 -53.0 -49.58 65.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.637 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.02 -38.06 57.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.196 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.4 mt -59.37 -49.96 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.685 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -61.41 -41.75 97.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.644 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 15' ' ' GLU . 12.7 mm-40 -72.16 -33.91 68.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.266 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.616 ' HA ' HG21 ' A' ' 25' ' ' THR . 2.7 mp -63.64 -45.12 91.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.771 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -30.89 42.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.966 0.412 . . . . 0.0 110.723 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.31 -24.57 66.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.896 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 20' ' ' LEU . . . -133.7 151.16 51.56 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.86 0.362 . . . . 0.0 111.849 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.76 68.62 0.29 Allowed Glycine 0 C--O 1.237 0.296 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.56 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.616 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.7 t -106.03 -161.84 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.681 0.276 . . . . 0.0 110.693 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.551 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -108.02 152.31 24.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.742 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -77.66 -34.47 53.07 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.991 0.424 . . . . 0.0 111.832 -179.657 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -45.53 -30.51 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.482 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.421 ' CD2' HD13 ' A' ' 49' ' ' ILE . 27.2 m-85 -61.94 -54.58 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.524 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.2 p90 -60.76 -24.25 65.6 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.676 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -84.06 -35.38 23.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.04 0.448 . . . . 0.0 110.296 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -30.88 64.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.463 HD11 ' HA ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -84.25 -45.17 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.69 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.24 -26.22 38.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.908 0.385 . . . . 0.0 110.861 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -78.85 -20.33 49.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.862 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.62 110.56 8.0 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.154 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 2.3 pttt -59.28 -21.25 59.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.891 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.8 p -95.08 139.63 31.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.43 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.4 m -73.75 -40.02 53.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.228 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -54.5 -26.76 33.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.197 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.24 -34.21 41.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.147 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.428 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 77.9 t -79.47 -43.53 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.748 0.308 . . . . 0.0 111.328 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.478 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 63.5 m95 -66.06 -33.76 76.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.946 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 t -71.27 -49.24 45.03 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.99 0.424 . . . . 0.0 109.905 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.406 ' CB ' ' CG2' ' A' ' 33' ' ' ILE . 1.4 mm? -56.36 -34.06 66.29 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.794 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.49 -39.08 93.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.775 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.19 -34.76 70.7 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.887 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.38 -40.36 89.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.869 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.432 HG13 ' CD1' ' A' ' 20' ' ' LEU . 24.3 mm . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.729 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.637 0.256 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -38.76 -42.89 0.86 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.278 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.9 -43.96 63.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.242 0.544 . . . . 0.0 110.212 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.459 ' CB ' ' HB ' ' A' ' 42' ' ' VAL . . . -75.79 -30.31 59.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.065 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HD3' ' N ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -57.85 -36.7 72.68 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.467 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.508 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 4.9 tp10 -78.68 -31.84 46.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.901 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.475 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 4.5 mm-40 -51.85 -49.3 63.14 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.418 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.79 -43.84 52.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.058 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.0 mt -54.73 -45.81 73.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.67 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -47.04 83.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.799 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.74 -36.54 80.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.365 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.657 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 3.1 mp -66.78 -45.19 79.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.658 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.4 t -67.69 -30.78 49.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.857 0.36 . . . . 0.0 111.436 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -24.49 59.1 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.47 146.67 40.32 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.33 113.57 1.55 Allowed Glycine 0 C--N 1.337 0.591 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.933 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.657 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 13.9 t -139.47 -155.13 0.56 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.189 0.519 . . . . 0.0 112.091 -178.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.486 ' CB ' ' CE2' ' A' ' 29' ' ' TYR . . . -135.1 102.12 5.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.777 178.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.483 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 1.8 pm0 -34.91 -34.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.696 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -49.97 -24.75 2.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.495 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.486 ' CE2' ' CB ' ' A' ' 26' ' ' ALA . 18.4 m-85 -69.98 -54.81 11.58 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.483 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.9 p90 -61.84 -25.59 67.61 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.968 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -80.84 -26.36 37.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.087 0.47 . . . . 0.0 110.059 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 mt -82.56 -41.15 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -68.63 -44.27 82.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.317 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.51 -23.27 62.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.327 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -94.11 -12.71 27.86 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.812 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.94 -24.68 9.82 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.43 16.36 10.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.382 . . . . 0.0 110.553 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.23 159.6 42.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.425 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.0 m -88.82 -46.2 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.858 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -58.86 -24.17 61.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.733 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.37 -41.03 14.17 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.978 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 88.9 t -72.44 -48.33 48.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.737 0.303 . . . . 0.0 111.071 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.475 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 64.7 m95 -62.54 -30.52 71.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.636 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -66.07 -50.36 64.4 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' CD2' HG21 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -61.9 -29.87 70.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.721 178.739 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.418 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.86 -31.75 72.04 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.71 178.852 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -71.3 -35.59 71.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.474 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -63.23 -53.12 58.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.218 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.537 HD11 ' HB ' ' A' ' 25' ' ' THR . 4.0 tp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.94 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.555 0.217 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.544 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -39.44 -52.23 2.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.528 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -44.9 -34.54 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.217 0.532 . . . . 0.0 110.361 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -82.19 -37.77 25.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.496 179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -55.24 -36.58 66.19 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.403 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.413 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 16.3 tt0 -78.38 -31.89 48.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.595 178.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.511 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 5.9 mm-40 -51.97 -49.61 62.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.794 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.415 ' HA ' ' HB2' ' A' ' 46' ' ' LYS . . . -76.91 -38.96 52.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.07 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.5 mt -57.38 -47.87 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.228 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -62.94 -39.9 96.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.78 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.48 -33.77 67.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.61 ' HG ' HG21 ' A' ' 25' ' ' THR . 3.9 mp -62.28 -45.29 93.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.551 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -31.02 30.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 0.0 110.998 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -67.41 -24.37 65.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.809 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.08 146.57 49.03 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 111.907 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.65 82.94 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.042 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.61 HG21 ' HG ' ' A' ' 20' ' ' LEU . 6.8 t -118.72 -143.1 0.36 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 122.454 0.301 . . . . 0.0 110.87 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' A' ' 20' ' ' LEU . . . -127.07 163.94 22.66 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 120.659 0.266 . . . . 0.0 110.678 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.479 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 4.0 pt-20 -85.3 -38.53 18.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.643 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -45.55 -29.37 1.15 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.55 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.424 ' CE2' ' CB ' ' A' ' 26' ' ' ALA . 31.6 m-85 -61.24 -51.63 68.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.793 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.507 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.7 p90 -65.59 -24.29 67.04 Favored 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.687 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HD3' ' CE1' ' A' ' 30' ' ' PHE . 8.2 mtpt -80.94 -27.93 35.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.119 0.485 . . . . 0.0 110.496 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.19 -42.37 19.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.059 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.495 HD13 ' CG1' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -69.23 -44.23 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.469 -179.65 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.68 -30.14 69.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.966 0.412 . . . . 0.0 110.631 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -72.82 -26.25 61.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.615 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.49 157.7 8.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.856 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -102.25 -23.83 13.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.0 p -107.73 137.68 45.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.859 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.7 m -60.88 -37.2 76.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.332 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.87 -27.66 31.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.273 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.58 -39.26 41.79 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.753 . . . . 0.0 111.884 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.495 ' CG1' HD13 ' A' ' 33' ' ' ILE . 96.5 t -76.45 -46.52 31.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.426 -0.387 . . . . 0.0 111.565 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.464 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 73.5 m95 -63.98 -24.43 67.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.025 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -77.54 -52.62 8.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.161 0.505 . . . . 0.0 109.956 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.62 -45.05 93.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.536 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.45 ' HG2' ' HA ' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -58.63 -36.18 73.68 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.114 179.53 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.01 -31.61 70.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.167 0.508 . . . . 0.0 109.77 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -76.99 -23.8 52.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.593 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.43 HG23 HG21 ' A' ' 25' ' ' THR . 32.3 mm . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.765 0.317 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.568 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 6.2 mttt -35.4 -40.93 0.16 Allowed 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.709 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.26 -49.97 31.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.48 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -69.56 -27.69 65.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.904 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -59.67 -36.1 75.77 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.273 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.496 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 18.0 tt0 -78.78 -31.98 46.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.589 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.523 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -51.44 -49.17 62.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.359 179.201 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.2 -47.27 29.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.936 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.9 mt -54.31 -43.89 63.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.25 -48.94 73.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.83 -36.35 82.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.335 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.684 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 2.7 mp -67.16 -45.25 77.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.783 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 t -68.72 -30.75 48.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.841 0.353 . . . . 0.0 111.249 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.17 -24.52 60.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.302 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.39 146.61 38.6 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.65 115.1 2.03 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.824 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.684 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 14.2 t -141.23 -156.11 0.65 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.444 ' CB ' ' CE2' ' A' ' 29' ' ' TYR . . . -133.35 102.37 5.52 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.102 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -35.26 -34.06 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.982 0.801 . . . . 0.0 112.618 -179.11 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -22.98 1.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.444 ' CE2' ' CB ' ' A' ' 26' ' ' ALA . 9.9 m-85 -74.15 -54.63 7.36 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -179.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.9 p90 -62.66 -24.12 67.46 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.256 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -81.73 -23.63 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.987 0.422 . . . . 0.0 110.547 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.32 -29.41 23.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.199 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 1.1 pp -83.17 -42.84 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.801 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.81 -23.63 19.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.724 0.297 . . . . 0.0 111.431 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -85.06 -24.0 28.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.407 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.14 116.9 3.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.843 0.354 . . . . 0.0 111.278 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -59.77 -31.17 69.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.536 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.65 143.62 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.54 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.5 m -75.72 -41.5 40.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.362 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -53.5 -24.69 13.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.316 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.23 -38.93 38.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.002 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.432 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 70.1 t -70.03 -43.64 79.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.824 0.345 . . . . 0.0 111.26 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CZ2' ' HG2' ' A' ' 15' ' ' GLU . 70.0 m95 -65.17 -36.02 82.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.753 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -56.06 18.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.93 0.395 . . . . 0.0 110.419 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 49' ' ' ILE . 3.1 mm? -53.01 -37.7 61.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.326 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -61.54 -42.49 98.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.143 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -54.86 -34.07 62.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.984 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -71.3 -31.9 67.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.259 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.439 HD13 HG21 ' A' ' 49' ' ' ILE . 30.1 mm . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.03 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.633 0.254 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.447 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 11.2 mptt -35.83 -47.71 0.52 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.65 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -48.32 38.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.813 0.339 . . . . 0.0 110.479 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -68.33 -27.89 66.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.653 179.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -60.72 -35.94 77.59 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.285 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 3.8 mt-10 -76.49 -33.36 58.66 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.511 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -51.18 -49.08 61.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.599 179.386 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.78 -42.39 61.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.9 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.424 HD13 ' CD2' ' A' ' 30' ' ' PHE . 5.6 mm -56.82 -48.74 80.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.777 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -60.94 -44.11 97.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.58 -33.88 67.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.442 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.587 ' HA ' HG22 ' A' ' 25' ' ' THR . 3.4 mp -67.52 -40.48 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.36 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 t -72.5 -30.77 35.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.112 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -24.47 61.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.155 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.52 149.71 52.42 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.948 0.404 . . . . 0.0 111.87 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.84 68.72 0.43 Allowed Glycine 0 CA--C 1.517 0.162 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.659 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.587 HG22 ' HA ' ' A' ' 20' ' ' LEU . 1.2 t -104.22 -162.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 122.416 0.287 . . . . 0.0 110.578 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.558 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -106.07 133.55 50.61 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 120.772 0.32 . . . . 0.0 111.376 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -59.14 -34.18 71.76 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.743 -179.839 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -43.87 -36.28 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.904 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.425 ' CD2' HD11 ' A' ' 49' ' ' ILE . 38.6 m-85 -57.1 -54.51 45.98 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.477 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.5 p90 -62.02 -24.2 66.91 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.733 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.62 -32.56 23.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.07 0.462 . . . . 0.0 110.423 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -29.85 45.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.127 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 1.1 pp -83.12 -44.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.65 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.04 -23.62 55.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.92 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -82.08 -24.08 35.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.54 130.71 46.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.805 0.336 . . . . 0.0 110.97 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -77.35 -7.31 55.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.032 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.5 p -117.58 140.36 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.36 -42.73 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.252 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.11 -24.69 18.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.48 -40.77 26.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.067 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.411 ' CG1' ' HB ' ' A' ' 33' ' ' ILE . 79.0 t -70.68 -45.8 72.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.754 0.311 . . . . 0.0 111.278 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.511 ' CZ2' ' HG2' ' A' ' 15' ' ' GLU . 70.8 m95 -64.24 -36.2 83.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.801 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 p -62.51 -56.15 20.77 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.98 0.419 . . . . 0.0 110.223 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -57.5 -35.1 69.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.111 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -45.26 95.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.113 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -36.09 65.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.015 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -36.24 83.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.123 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.463 HG23 HG22 ' A' ' 25' ' ' THR . 11.3 mm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.062 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 120.476 0.179 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.52 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -35.36 -49.58 0.52 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.841 -179.558 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -43.54 -38.76 3.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.027 0.442 . . . . 0.0 110.755 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -80.66 -32.88 35.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.833 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -59.7 -36.78 77.22 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.382 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -77.22 -31.85 55.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.768 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.502 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.5 mm-40 -51.92 -49.15 63.66 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.336 179.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.76 -42.35 61.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.078 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.401 HG22 HD12 ' A' ' 17' ' ' ILE . 30.9 mt -56.45 -47.42 81.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.617 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -45.24 95.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.787 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.58 -35.41 70.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.29 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' A' ' 29' ' ' TYR . 4.5 mp -67.96 -36.44 80.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.31 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.1 t -73.44 -30.6 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.89 0.376 . . . . 0.0 110.747 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.47 -24.72 61.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.983 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.71 146.46 43.78 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.94 0.4 . . . . 0.0 111.979 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.25 65.15 0.75 Allowed Glycine 0 C--O 1.227 -0.33 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.493 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.572 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.4 -89.85 0.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.415 0.15 . . . . 0.0 111.232 -179.762 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.484 ' O ' HD23 ' A' ' 20' ' ' LEU . . . 179.23 122.01 0.05 Allowed 'General case' 0 C--O 1.225 -0.203 0 CA-C-O 120.782 0.325 . . . . 0.0 111.083 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.487 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -48.79 -46.96 42.28 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.945 -179.363 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.33 -39.96 0.32 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.58 ' HB2' HD23 ' A' ' 20' ' ' LEU . 32.8 m-85 -56.89 -51.97 66.98 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.1 p90 -65.31 -24.15 67.2 Favored 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 120.306 -0.557 . . . . 0.0 111.035 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.76 -33.71 24.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.059 0.456 . . . . 0.0 110.291 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.86 -35.86 64.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.464 HD11 ' HA ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -77.21 -45.09 30.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.525 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.28 -28.72 59.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.993 0.425 . . . . 0.0 110.747 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -74.44 -26.11 59.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.69 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.01 138.97 58.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.902 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 13.05 19.16 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.11 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.8 p -134.4 139.02 45.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.348 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 40' ' ' GLU . 35.4 m -68.12 -37.39 78.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.258 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.433 ' N ' HG22 ' A' ' 39' ' ' VAL . 10.3 mt-10 -60.73 -25.47 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.74 -40.67 25.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.157 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.429 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 86.5 t -73.78 -47.39 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.718 0.294 . . . . 0.0 111.424 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.502 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 61.0 m95 -63.3 -29.72 70.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.695 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -69.49 -55.52 9.99 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.022 0.439 . . . . 0.0 110.102 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.46 -36.88 67.05 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.16 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -39.82 92.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.039 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -58.96 -32.86 70.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.14 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -70.4 -32.96 70.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.2 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.456 HG21 HG22 ' A' ' 25' ' ' THR . 17.6 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.955 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.862 0.363 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.39 -179.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -59.81 -61.14 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.23 171.25 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -99.73 117.78 34.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.018 0.437 . . . . 0.0 110.663 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.7 tp -90.21 137.98 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.33 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.73 121.4 36.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -165.63 151.08 9.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.401 0.619 . . . . 0.0 111.173 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.37 -30.78 68.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.078 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -35.52 -51.7 0.64 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.062 -179.664 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -37.99 4.84 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.052 0.453 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -80.86 -32.4 35.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.723 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.521 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -59.64 -36.86 77.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.404 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 18.5 tt0 -77.33 -32.35 55.18 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.632 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 6.1 mm-40 -51.74 -49.13 63.17 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.398 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.36 -44.12 59.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.01 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 30' ' ' PHE . 2.1 mm -54.41 -43.81 64.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.525 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -63.73 -48.04 78.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -67.19 -36.26 81.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.649 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 3.4 mp -66.25 -45.21 81.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.527 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.31 -30.82 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.869 0.366 . . . . 0.0 111.395 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.49 -24.39 60.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.299 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.91 146.03 36.89 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.89 114.45 1.82 Allowed Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.632 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.649 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 15.1 t -138.14 -159.35 0.95 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.164 0.507 . . . . 0.0 112.358 -177.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.456 ' O ' ' CD2' ' A' ' 29' ' ' TYR . . . -133.63 105.07 6.65 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.254 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -34.73 -34.31 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.028 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -48.55 -25.68 1.83 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.637 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.456 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 29.7 m-85 -71.47 -54.84 9.27 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.4 p90 -60.76 -24.16 65.53 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.967 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.49 -32.53 28.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.084 0.469 . . . . 0.0 110.128 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.57 -40.31 61.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.937 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.445 HD11 ' HA ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -73.36 -44.36 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.433 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.55 -25.87 60.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.887 0.375 . . . . 0.0 110.764 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -78.7 -24.1 45.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.807 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.91 136.91 58.22 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.85 0.357 . . . . 0.0 111.067 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -27.45 50.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.1 p -104.06 139.25 39.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.601 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -66.14 -37.18 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.306 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -53.32 -27.17 21.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.28 -31.91 49.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.042 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.439 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 92.4 t -81.64 -43.11 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.772 0.32 . . . . 0.0 111.39 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.459 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 65.7 m95 -67.49 -29.14 68.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.01 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.1 t -77.96 -47.44 18.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.991 0.424 . . . . 0.0 110.083 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' O ' HG12 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -60.33 -38.17 82.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.961 179.173 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -65.22 -32.96 74.9 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.053 179.383 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 74.6 m-20 -62.21 -34.71 76.99 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.35 -28.56 66.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.067 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.426 HG13 HD13 ' A' ' 20' ' ' LEU . 19.9 mm -72.33 -27.84 27.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.6 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -78.14 -31.9 50.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.69 -48.13 6.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 25' ' ' THR . 0.3 OUTLIER 55.39 20.24 3.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.473 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 m 58.13 -83.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.538 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' PHE . 15.7 m -110.75 154.35 12.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.734 0.302 . . . . 0.0 110.719 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.61 155.06 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.801 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.868 0.366 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 m 59.78 30.18 19.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -154.97 78.28 1.04 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.8 144.94 41.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -83.73 116.63 22.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.076 0.465 . . . . 0.0 110.442 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.4 tp -82.59 116.9 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.325 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.44 86.53 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.759 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -149.85 171.79 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.948 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -86.85 -31.06 21.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.014 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.506 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 3.9 mmtp -39.77 -51.96 2.34 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.535 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -48.13 -37.36 15.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.181 0.515 . . . . 0.0 110.461 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -80.37 -31.54 37.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.678 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.506 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.2 -36.68 80.53 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.322 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.419 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 7.0 mm-40 -76.06 -31.8 58.97 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.648 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.464 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 8.6 mm-40 -53.15 -49.26 66.96 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.568 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.31 -42.36 62.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.964 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 5.8 mt -55.9 -46.9 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.592 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -51.41 69.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.179 0.514 . . . . 0.0 110.412 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.92 -39.23 88.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.425 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.635 ' HA ' HG22 ' A' ' 25' ' ' THR . 3.3 mp -60.41 -25.57 66.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.405 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 0.5 OUTLIER -81.51 -30.95 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.016 0.436 . . . . 0.0 110.253 179.296 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -24.64 66.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.408 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.32 151.99 50.19 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.571 0.224 . . . . 0.0 111.567 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.63 -43.78 8.08 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.312 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.635 HG22 ' HA ' ' A' ' 20' ' ' LEU . 15.0 t 29.93 -148.29 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 178.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 29' ' ' TYR . . . -154.93 131.59 10.63 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -49.35 -34.13 15.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.83 -179.491 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -44.97 -27.48 0.55 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.386 0.514 . . . . 0.0 112.386 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.472 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 26.0 m-85 -72.73 -54.82 7.9 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.453 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.1 p90 -60.22 -23.93 64.43 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.14 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.29 -32.45 26.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.035 0.445 . . . . 0.0 110.393 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -29.9 59.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.992 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -86.64 -44.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.791 -179.544 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.4 -24.64 31.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.998 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -80.41 -24.02 39.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.763 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.14 132.06 52.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.874 0.369 . . . . 0.0 110.925 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -24.24 58.09 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.344 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.4 p -105.76 138.73 41.45 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.736 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.6 m -66.24 -38.02 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.3 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.01 -27.84 21.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.268 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.79 -34.67 42.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.004 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.446 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 81.5 t -78.86 -44.54 25.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.783 0.325 . . . . 0.0 111.266 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.512 ' HA ' ' HG2' ' A' ' 46' ' ' LYS . 61.5 m95 -65.28 -29.16 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.766 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 p -75.59 -46.8 29.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.512 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -63.58 -43.61 96.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.092 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.512 ' HG2' ' HA ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -62.11 -33.18 73.97 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.114 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -62.91 -35.78 81.19 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -28.91 69.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.043 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.418 HD11 ' CG ' ' A' ' 29' ' ' TYR . 38.3 mm -75.97 -37.37 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.424 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -32.01 71.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.39 -47.91 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.649 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 52.79 22.49 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.504 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.6 m -73.66 -83.64 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.3 t -140.78 -68.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 111.159 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.1 m -145.59 165.1 29.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.995 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.847 0.356 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.4 m -138.67 122.99 18.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.33 136.22 50.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.19 140.9 36.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.421 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -58.98 100.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.751 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 tp -70.37 70.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.14 140.15 49.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.684 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.12 163.03 15.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.012 0.435 . . . . 0.0 111.289 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.64 -30.49 59.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.028 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.508 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 12.4 mmtm -35.27 -47.9 0.43 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.319 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -46.11 -34.33 4.12 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.122 0.487 . . . . 0.0 110.728 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.437 ' CB ' ' HB ' ' A' ' 42' ' ' VAL . . . -83.55 -32.44 25.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.633 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.19 -37.1 81.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.199 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -77.26 -31.86 55.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.79 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 6.6 mm-40 -52.15 -49.18 64.26 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.298 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.59 -41.59 62.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.097 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.7 mt -55.79 -48.85 77.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.658 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -44.73 96.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.769 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.98 -34.31 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.445 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.593 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 3.4 mp -67.5 -43.11 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.276 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.2 t -69.05 -30.67 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -24.43 60.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.338 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.92 150.19 52.19 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.974 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.99 66.24 0.48 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.701 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.593 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 1.2 t -102.14 -163.44 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 122.702 0.401 . . . . 0.0 110.669 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.565 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -101.97 140.28 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.686 0.279 . . . . 0.0 110.987 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.487 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 6.7 mm-40 -70.28 -34.35 72.68 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.516 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -48.4 -29.04 3.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.649 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.466 ' HB2' HD23 ' A' ' 20' ' ' LEU . 20.3 m-85 -61.78 -54.47 41.96 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.513 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.5 p90 -61.53 -24.36 66.57 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.593 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 4.5 mttt -86.27 -30.66 22.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.064 0.459 . . . . 0.0 110.402 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 mt -78.93 -29.06 43.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.804 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.422 ' CG1' ' HA ' ' A' ' 30' ' ' PHE . 1.2 pp -87.59 -41.24 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.542 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.48 -23.79 17.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.677 0.275 . . . . 0.0 111.467 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -87.04 -18.15 31.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.376 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.44 121.46 12.16 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.73 0.3 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -29.43 70.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.849 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.5 p -98.32 140.17 32.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 m -71.01 -40.31 75.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.299 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.25 -25.28 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.137 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.83 -37.79 32.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.832 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.437 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 78.9 t -74.88 -47.06 38.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.797 0.332 . . . . 0.0 111.176 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.467 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 64.5 m95 -63.17 -29.17 70.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.581 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -70.65 -56.0 7.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.016 0.436 . . . . 0.0 110.2 179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -34.77 64.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.064 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -60.75 -44.5 96.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.046 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.61 -34.7 65.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.075 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.81 -36.99 81.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.217 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.449 HG23 HG22 ' A' ' 25' ' ' THR . 26.6 mm -59.05 -32.09 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.772 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.53 -24.32 24.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.332 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -87.94 -37.27 16.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.305 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.552 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -84.79 1.18 47.94 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.178 -179.737 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -79.25 160.16 26.98 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.939 0.399 . . . . 0.0 110.655 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.8 m -124.96 151.08 30.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.068 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -80.96 157.3 25.59 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.822 179.909 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.705 0.288 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.7 m -95.71 38.83 1.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 0.0 111.023 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -117.21 -38.83 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 108.97 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -59.81 -45.01 93.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 43.51 32.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.982 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.0 mt -54.77 113.28 1.26 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.029 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -144.63 160.93 40.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.36 -31.18 21.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.494 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -40.17 -51.74 2.64 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.497 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -45.48 -33.68 2.8 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.159 0.504 . . . . 0.0 110.46 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -84.27 -34.94 23.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.647 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.494 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -59.62 -36.88 77.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.333 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.424 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 37.9 tp10 -77.98 -31.79 50.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.735 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.481 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.4 mm-40 -52.05 -49.03 64.26 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.376 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.6 -42.85 60.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.027 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.9 mt -55.03 -48.38 75.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.702 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.49 -43.32 99.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -73.17 -34.11 65.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.481 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.655 ' HA ' HG22 ' A' ' 25' ' ' THR . 2.9 mp -67.16 -38.71 85.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 111.253 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.4 t -74.42 -30.84 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.063 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -24.51 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.99 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -132.12 150.59 52.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.824 0.345 . . . . 0.0 111.855 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.32 71.0 0.34 Allowed Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.442 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.655 HG22 ' HA ' ' A' ' 20' ' ' LEU . 1.6 t -107.08 -164.34 0.98 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.43 0.292 . . . . 0.0 110.885 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -103.04 143.0 33.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.709 0.29 . . . . 0.0 111.298 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.506 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 1.6 mm-40 -70.17 -35.13 73.77 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.563 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -46.25 -31.44 2.5 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.933 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.46 ' HB2' HD21 ' A' ' 20' ' ' LEU . 18.7 m-85 -61.82 -54.53 40.95 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.531 ' HB3' HD23 ' A' ' 20' ' ' LEU . 1.3 p90 -61.36 -24.07 66.22 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.779 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.48 -40.41 19.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.155 0.503 . . . . 0.0 110.162 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -36.38 80.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.459 HD13 ' HA ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -77.28 -45.06 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.643 -179.66 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.3 -25.13 47.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.95 0.405 . . . . 0.0 110.715 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -80.12 -18.63 49.32 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.776 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.04 141.78 58.04 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.761 0.315 . . . . 0.0 110.917 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.16 -28.91 29.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.782 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.2 p -103.14 140.07 37.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.704 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.6 m -65.84 -38.68 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.47 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -52.28 -27.25 14.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.231 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.81 -38.99 29.91 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.885 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.434 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 76.9 t -73.95 -46.89 44.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.793 0.33 . . . . 0.0 111.251 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.481 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 66.4 m95 -63.54 -29.56 70.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.739 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -70.29 -55.86 8.17 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.988 0.423 . . . . 0.0 110.223 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.61 -35.91 66.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.068 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -41.55 89.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.971 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -58.74 -34.04 70.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.953 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.15 -24.0 64.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.439 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.465 HG13 ' CD1' ' A' ' 20' ' ' LEU . 21.6 mm -75.03 -34.56 32.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.897 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.78 -31.79 59.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.214 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.41 -47.96 5.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.459 ' CE1' ' OG1' ' A' ' 25' ' ' THR . 0.1 OUTLIER 57.91 19.66 6.0 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.268 179.721 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 66.77 -66.99 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.78 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' PHE . 29.3 m -54.15 172.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.987 0.423 . . . . 0.0 110.883 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.3 m -127.83 -45.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.675 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.599 -179.599 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.835 0.35 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.4 m -91.12 159.8 15.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.16 159.79 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -59.86 -174.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.3 -38.46 14.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.734 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.7 tp -72.43 163.34 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.265 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt 55.43 37.65 29.18 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.058 0.456 . . . . 0.0 110.621 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -148.02 16.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.31 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -72.03 -35.99 69.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.94 -179.734 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.536 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -51.98 -51.67 55.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.958 0.409 . . . . 0.0 110.048 179.046 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -50.9 -36.46 38.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.149 0.499 . . . . 0.0 110.199 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.428 ' CB ' ' HB ' ' A' ' 42' ' ' VAL . . . -81.32 -30.89 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.854 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.536 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -60.82 -37.32 81.61 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.541 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.4 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 9.4 pt-20 -77.93 -32.05 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.734 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.469 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 7.3 mm-40 -50.76 -49.06 58.94 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.27 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.01 -42.79 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.982 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 17.3 mt -55.4 -49.46 72.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.988 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -47.01 88.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.22 -35.35 79.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.249 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.674 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 3.7 mp -64.15 -45.13 89.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.444 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 t -68.35 -30.79 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.934 0.397 . . . . 0.0 111.159 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.45 -24.54 62.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.25 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.2 146.07 36.44 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.89 114.07 1.42 Allowed Glycine 0 C--N 1.338 0.673 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.674 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 14.1 t -139.58 -158.11 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.255 0.55 . . . . 0.0 112.325 -178.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.457 ' CB ' ' CE2' ' A' ' 29' ' ' TYR . . . -136.36 106.02 6.17 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.263 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.4 mm-40 -34.85 -34.15 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.611 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -51.06 -24.1 3.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.912 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.457 ' CE2' ' CB ' ' A' ' 26' ' ' ALA . 35.2 m-85 -70.7 -54.78 10.5 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 27' ' ' GLU . 1.9 p90 -61.38 -24.16 66.29 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.757 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -30.59 33.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.116 0.484 . . . . 0.0 110.068 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.11 -44.59 37.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.855 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -68.27 -45.46 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.413 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.0 -27.26 61.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.01 0.433 . . . . 0.0 110.638 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -75.66 -23.84 56.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.633 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.76 -176.47 0.01 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.987 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 1.1 mptt -139.22 21.36 2.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.977 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.3 p -149.79 139.61 21.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.652 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 m -60.47 -37.94 76.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.178 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.454 ' O ' ' CG2' ' A' ' 44' ' ' THR . 5.7 mm-40 -64.08 -25.65 68.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.365 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.425 ' O ' HG21 ' A' ' 44' ' ' THR . . . -76.18 -42.32 24.22 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.427 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.428 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 76.7 t -79.74 -46.3 22.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.786 0.327 . . . . 0.0 111.312 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.469 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 55.2 m95 -62.93 -30.4 71.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.301 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 40' ' ' GLU . 11.7 t -75.63 -48.56 21.66 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mp -57.24 -35.6 69.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.203 0.525 . . . . 0.0 109.63 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -62.77 -39.55 94.54 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.929 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -59.47 -34.34 72.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.04 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.94 -32.51 73.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.285 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.427 HG13 HD13 ' A' ' 20' ' ' LEU . 21.0 mm -70.45 -27.89 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.779 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -34.47 58.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -91.35 -48.14 7.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.011 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 25' ' ' THR . 0.2 OUTLIER 51.89 23.04 1.95 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.496 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -55.87 -32.15 63.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.565 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.4 t -63.64 -66.62 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.933 0.397 . . . . 0.0 111.24 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.61 172.65 7.06 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.896 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.784 0.326 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.03 165.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 58.86 44.22 17.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.62 7.07 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.462 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mp 44.07 48.3 7.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.875 0.369 . . . . 0.0 111.888 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.0 tp -59.23 123.58 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mt -87.18 120.32 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -157.0 162.85 39.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.001 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.8 -31.0 40.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.99 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -37.5 -51.56 1.15 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.819 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.36 -36.08 3.99 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.137 0.494 . . . . 0.0 110.679 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -82.37 -33.78 28.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.656 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.458 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.16 -36.45 79.84 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 2.2 mm-40 -75.66 -31.85 59.94 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.595 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 9.3 mm-40 -53.24 -49.25 67.24 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.587 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.39 -45.23 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.079 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 mt -54.97 -43.61 69.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -63.68 -47.71 80.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -68.98 -37.05 78.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.359 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.649 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 3.4 mp -64.74 -45.01 88.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.62 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.8 t -67.79 -30.86 49.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.982 0.42 . . . . 0.0 111.274 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.4 -24.41 61.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.315 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.61 145.9 35.58 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.96 112.97 1.22 Allowed Glycine 0 C--N 1.336 0.56 0 C-N-CA 120.877 -0.677 . . . . 0.0 111.644 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.649 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 15.3 t -135.84 -158.16 0.85 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.172 0.511 . . . . 0.0 112.223 -177.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.474 ' O ' ' CD2' ' A' ' 29' ' ' TYR . . . -134.6 106.62 7.07 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.776 178.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 3.7 mp0 -34.63 -34.34 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.371 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -49.93 -24.15 2.37 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.474 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 36.5 m-85 -73.48 -54.8 7.39 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 27' ' ' GLU . 1.9 p90 -62.52 -23.94 67.23 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.2 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -81.54 -34.42 31.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.09 0.472 . . . . 0.0 110.185 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -35.77 69.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.827 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -78.65 -44.86 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.556 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.09 -25.66 46.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.78 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -79.19 -23.59 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.756 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.86 133.0 54.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.828 0.347 . . . . 0.0 111.031 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.16 -25.91 58.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.668 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.6 p -104.29 138.82 40.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.869 0.366 . . . . 0.0 110.791 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.2 m -66.14 -40.27 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.437 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -51.53 -26.63 8.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.179 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.73 -37.3 30.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.799 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.43 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 71.0 t -73.67 -47.04 45.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.745 0.307 . . . . 0.0 111.149 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.475 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 66.1 m95 -62.55 -35.37 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.593 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.3 p -64.4 -54.92 25.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.023 0.439 . . . . 0.0 110.24 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.1 -37.88 64.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.127 179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.44 -46.06 76.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.121 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -56.71 -33.9 66.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.863 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.66 -23.8 63.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.512 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.429 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . 21.5 mm -75.97 -28.74 19.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.735 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -78.47 -36.16 45.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.13 -47.89 7.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.789 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 49' ' ' ILE . 0.6 OUTLIER 62.95 15.74 8.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.472 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.42 ' CG2' ' N ' ' A' ' 54' ' ' VAL . 2.3 m 57.86 162.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.42 ' N ' ' CG2' ' A' ' 53' ' ' THR . 0.0 OUTLIER -157.55 -54.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.066 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 m -160.03 -45.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.23 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.253 1.289 0 CA-C-O 117.979 -1.01 . . . . 0.0 111.01 179.718 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.864 0.364 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.2 m -117.09 29.49 7.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -72.14 -170.3 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.714 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -43.74 164.41 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.398 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -58.88 85.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 -179.789 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.7 tp -72.51 69.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.981 0.419 . . . . 0.0 110.811 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 pp -86.73 113.16 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.197 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -132.62 146.56 51.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.585 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.36 -31.56 48.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.106 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.527 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -45.79 -52.19 11.56 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.079 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -50.6 -34.04 24.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.132 0.491 . . . . 0.0 110.278 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -81.9 -31.28 31.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.654 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -59.99 -36.96 78.3 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.373 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.413 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 20.9 pt-20 -78.52 -31.95 47.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.834 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.496 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.0 mm-40 -51.24 -49.26 61.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.322 179.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.26 -42.27 59.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.074 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.3 mt -56.3 -48.52 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.684 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -61.53 -43.09 99.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -73.7 -33.85 64.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.529 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.588 ' HA ' HG22 ' A' ' 25' ' ' THR . 3.2 mp -67.51 -37.12 82.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.209 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 t -75.77 -30.72 21.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.017 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.04 -24.37 61.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.943 -0.572 . . . . 0.0 112.053 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.89 150.74 51.91 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.858 0.361 . . . . 0.0 111.75 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.6 69.46 0.73 Allowed Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.588 HG22 ' HA ' ' A' ' 20' ' ' LEU . 1.3 t -101.78 -143.0 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 122.274 0.23 . . . . 0.0 110.446 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.474 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -131.96 131.4 42.57 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 111.873 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.6 pt-20 -54.18 -33.95 59.32 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.551 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -48.11 -20.85 0.39 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.479 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.441 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 28.8 m-85 -79.08 -46.79 17.36 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.3 p90 -66.97 -24.26 66.04 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.289 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -32.48 22.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 110.459 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.91 -30.75 62.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.653 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -82.73 -45.01 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.722 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.59 -23.56 41.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 110.891 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -83.13 -21.71 33.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.49 145.41 39.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.702 0.287 . . . . 0.0 110.971 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.7 19.26 11.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.083 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -152.06 136.94 17.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.681 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.4 m -61.32 -44.77 99.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.593 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -51.27 -27.6 9.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.296 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.93 -41.26 23.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.001 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.422 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 76.1 t -72.74 -48.03 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.716 0.294 . . . . 0.0 111.315 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.496 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 64.5 m95 -61.36 -33.2 73.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.6 p -67.01 -54.74 18.79 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.007 0.432 . . . . 0.0 110.188 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.77 -35.14 55.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.257 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -61.42 -45.18 95.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.214 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -33.5 62.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.256 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -69.25 -35.89 76.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.182 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.456 HG13 ' CD1' ' A' ' 20' ' ' LEU . 19.6 mm -60.38 -31.82 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.73 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -85.79 -26.34 25.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.122 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -85.84 -39.26 17.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.956 0.408 . . . . 0.0 111.207 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.547 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -85.93 2.98 43.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.029 0.442 . . . . 0.0 111.162 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.8 -171.15 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.8 m -110.69 164.51 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.6 m -141.75 120.88 12.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.748 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.322 -0.846 . . . . 0.0 110.944 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.946 0.403 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.74 120.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -111.7 92.12 3.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -57.43 130.68 47.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.57 -16.62 19.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.59 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -43.74 129.53 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 121.012 0.434 . . . . 0.0 111.94 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mp -94.15 -154.96 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.129 179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -147.24 152.78 38.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.047 0.451 . . . . 0.0 111.255 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -86.86 -30.82 21.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.355 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.52 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -35.61 -51.83 0.66 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.327 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -47.27 -37.44 10.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.131 0.491 . . . . 0.0 110.694 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -82.18 -32.31 30.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.129 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -59.52 -37.11 77.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.425 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 10.9 pt-20 -78.06 -32.19 50.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.776 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 4.7 mm-40 -50.48 -49.17 56.07 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.242 178.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 -46.42 49.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.902 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 mt -52.5 -44.13 43.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -48.77 71.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.071 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.45 -37.58 83.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.464 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.659 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 3.4 mp -64.26 -45.19 89.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.616 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.3 t -67.0 -30.78 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.874 0.369 . . . . 0.0 111.288 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -24.55 60.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.1 146.31 38.72 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.68 112.86 1.15 Allowed Glycine 0 C--N 1.335 0.513 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.784 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.659 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 14.8 t -138.83 -158.95 0.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.268 0.556 . . . . 0.0 112.056 -178.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.475 ' CB ' ' CE2' ' A' ' 29' ' ' TYR . . . -131.63 100.69 5.21 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.901 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 1.9 pt-20 -34.84 -34.14 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.596 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -48.87 -24.55 1.5 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.455 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.475 ' CE2' ' CB ' ' A' ' 26' ' ' ALA . 17.4 m-85 -71.47 -54.73 9.62 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.8 p90 -61.48 -24.64 66.72 Favored 'General case' 0 N--CA 1.461 0.113 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.995 -179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -28.75 32.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.05 0.452 . . . . 0.0 110.046 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.82 -39.97 29.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.855 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -70.35 -44.97 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.366 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.87 -23.23 42.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.373 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -95.95 -9.56 30.89 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.915 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.63 -26.4 32.66 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 67.23 15.94 10.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.771 0.319 . . . . 0.0 110.649 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.91 145.25 32.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.47 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 m -75.75 -48.29 30.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.77 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -59.19 -25.97 64.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 111.431 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.49 -39.4 25.98 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.35 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.445 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 89.9 t -74.42 -46.78 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.821 0.344 . . . . 0.0 111.497 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.474 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 58.4 m95 -62.46 -37.3 85.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.689 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.4 p -64.99 -53.73 41.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.946 0.403 . . . . 0.0 110.258 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.55 -33.16 67.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.367 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -60.96 -40.88 95.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.324 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.84 -33.81 76.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.376 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.69 -40.49 97.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.582 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.503 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -75.79 -27.48 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.477 179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -66.0 -30.59 71.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.855 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.2 -47.93 4.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.378 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 49' ' ' ILE . 0.5 OUTLIER 62.55 16.9 9.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.147 -179.623 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 m -80.07 116.05 19.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.616 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.2 m -159.3 172.45 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.984 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.3 m -109.07 117.41 34.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.96 0.41 . . . . 0.0 110.728 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.711 -179.875 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.46 0.171 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -161.81 83.53 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.631 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -102.94 -67.03 0.9 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.807 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -100.59 95.63 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -60.02 97.08 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.009 -179.793 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.3 tp -60.99 107.02 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.45 97.35 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.254 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.51 12.11 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.161 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 12' ' ' ALA . 3.3 mt -87.15 -30.73 20.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.496 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 21.9 mmtt -37.71 -51.93 1.25 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.728 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -47.43 -35.3 8.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.182 0.515 . . . . 0.0 110.437 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 9' ' ' LEU . . . -82.65 -33.34 27.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.723 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.496 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -60.74 -36.96 80.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.461 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 4.0 tp10 -77.5 -31.77 53.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.751 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.494 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 12.7 mm-40 -52.64 -49.17 65.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.419 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.99 -41.85 61.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.454 HG23 HD11 ' A' ' 17' ' ' ILE . 9.9 mt -56.71 -48.99 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -61.68 -40.36 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -75.28 -33.93 61.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.485 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.66 ' HA ' HG22 ' A' ' 25' ' ' THR . 1.9 mp -66.99 -39.57 87.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.0 t -74.85 -30.76 24.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.027 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.33 -24.49 63.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.025 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.72 150.52 51.86 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.737 0.304 . . . . 0.0 111.795 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.66 67.67 0.28 Allowed Glycine 0 CA--C 1.518 0.223 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.704 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.66 HG22 ' HA ' ' A' ' 20' ' ' LEU . 1.6 t -107.14 -175.58 2.83 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 122.532 0.333 . . . . 0.0 110.835 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.468 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -89.84 161.45 15.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.372 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 1.5 pm0 -85.31 -33.96 21.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.969 0.414 . . . . 0.0 111.551 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -42.83 -35.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.909 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.443 ' CG ' HD13 ' A' ' 49' ' ' ILE . 36.0 m-85 -55.52 -54.62 41.69 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.487 ' HB3' HD23 ' A' ' 20' ' ' LEU . 1.5 p90 -65.07 -24.02 67.34 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.995 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 2.1 mtmp? -83.83 -33.13 24.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.01 0.433 . . . . 0.0 110.473 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mt -78.47 -32.53 48.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.124 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 13' ' ' LYS . 1.1 pp -79.87 -46.26 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.638 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.44 -25.9 27.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.881 0.372 . . . . 0.0 110.696 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -77.89 -28.59 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.562 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' HD11 ' A' ' 9' ' ' LEU . . . -60.01 133.62 56.27 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.944 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.46 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -86.12 -7.31 58.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.924 179.568 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.5 p -110.85 137.85 47.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.817 0.341 . . . . 0.0 110.377 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.4 m -67.37 -43.41 87.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.34 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -55.03 -24.24 23.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.167 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.84 -43.36 18.06 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.216 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.427 HG13 ' CB ' ' A' ' 12' ' ' ALA . 73.6 t -71.48 -45.88 66.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.631 0.253 . . . . 0.0 111.426 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 62.5 m95 -63.78 -33.25 75.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.861 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.1 p -66.28 -55.82 14.21 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.95 0.405 . . . . 0.0 110.232 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.412 ' HB2' ' CG2' ' A' ' 33' ' ' ILE . 3.0 mm? -53.86 -35.54 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.081 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -42.16 87.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.031 179.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -59.14 -33.43 70.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.079 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -68.96 -24.89 64.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.644 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.443 HD13 ' CG ' ' A' ' 29' ' ' TYR . 12.0 mm -75.32 -36.38 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.041 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -74.01 -32.57 63.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.319 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.8 -47.91 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.891 0.377 . . . . 0.0 110.774 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.469 ' CE1' ' OG1' ' A' ' 25' ' ' THR . 0.1 OUTLIER 57.44 19.2 5.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.502 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.7 m 57.89 -84.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.739 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.413 ' N ' ' O ' ' A' ' 52' ' ' PHE . 1.5 t -100.6 170.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.97 0.414 . . . . 0.0 110.743 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 m -129.05 165.11 21.83 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.581 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.951 -179.843 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.9 m -101.92 -30.39 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.63 -46.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -112.11 118.77 36.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.041 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.41 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -59.94 98.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.634 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.8 tp -62.73 110.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.341 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.82 133.78 49.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.518 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.53 -169.6 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.091 0.472 . . . . 0.0 111.31 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -43.07 -31.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.415 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.489 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 26.3 mmtp -37.74 -51.78 1.26 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.907 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -37.55 12.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.004 0.431 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -84.5 -36.97 21.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.049 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -60.05 -36.68 77.84 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.301 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 8.0 pt-20 -76.32 -31.87 58.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.934 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' CG ' ' CH2' ' A' ' 43' ' ' TRP . 7.3 mm-40 -53.51 -49.61 67.2 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.508 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.23 -42.76 54.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.881 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.5 mt -57.79 -46.54 87.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.298 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -58.91 -44.69 91.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -72.48 -34.24 67.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.627 ' HA ' HG21 ' A' ' 25' ' ' THR . 4.4 mp -73.47 -24.46 60.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.7 t -80.96 -30.94 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.91 0.386 . . . . 0.0 110.54 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.73 -24.55 53.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.319 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 25' ' ' THR . . . -134.58 155.44 50.42 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.987 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.86 -52.33 51.61 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.839 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.627 HG21 ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 35.79 -104.83 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 179.559 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' CB ' ' CE2' ' A' ' 29' ' ' TYR . . . 177.6 128.27 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.923 0.392 . . . . 0.0 111.265 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 2.2 pt-20 -56.5 -34.07 66.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.975 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.66 -22.9 0.33 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.476 ' CE2' ' CB ' ' A' ' 26' ' ' ALA . 25.3 m-85 -81.19 -54.08 5.82 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.491 ' HB3' HD23 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -57.31 -24.15 53.17 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.164 -179.398 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.67 -32.16 23.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.021 0.439 . . . . 0.0 110.336 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -29.36 61.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.794 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 13' ' ' LYS . 1.1 pp -85.59 -44.63 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.679 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.68 -25.11 38.06 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.854 0.359 . . . . 0.0 110.924 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -80.56 -19.96 44.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.9 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.66 109.91 6.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.173 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 13.3 mttm -59.6 -20.71 57.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.986 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.3 p -94.78 140.3 30.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.854 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.3 m -73.83 -41.96 53.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.359 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -55.21 -23.93 24.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.494 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.35 -35.77 32.51 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.307 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.435 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 79.3 t -78.75 -42.89 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.674 0.273 . . . . 0.0 111.417 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.474 ' CH2' ' CG ' ' A' ' 15' ' ' GLU . 65.1 m95 -68.69 -30.28 68.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.369 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -75.38 -51.21 13.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.168 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.4 ' O ' HG12 ' A' ' 49' ' ' ILE . 10.7 tp -59.39 -32.72 70.41 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -38.5 91.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.915 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -60.72 -37.67 82.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.856 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -63.32 -37.85 88.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.248 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.487 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 21.4 mm -78.84 -27.98 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.757 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -64.2 -31.6 72.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.251 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.84 -48.5 4.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.36 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CD2' ' HA ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER 44.61 27.34 0.24 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.724 179.743 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 m -52.8 125.8 18.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.765 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.0 m -134.39 -179.89 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 m -99.49 -64.53 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.203 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.888 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.1 m -106.45 -51.46 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.26 83.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -59.54 138.26 57.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -59.32 87.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.7 tp -60.09 136.04 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -98.25 101.87 13.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -142.6 154.78 44.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.793 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.63 -31.23 21.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -42.7 -51.96 5.1 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 179.748 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -47.42 -34.94 7.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.12 0.486 . . . . 0.0 110.389 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.438 ' CB ' ' HB ' ' A' ' 42' ' ' VAL . . . -83.15 -33.19 26.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.669 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.521 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -60.24 -37.17 79.54 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.363 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.4 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 19.5 tp10 -77.77 -31.8 52.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.82 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.473 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 11.2 mm-40 -52.23 -49.27 64.31 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.422 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.88 -42.0 61.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.055 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.9 mt -53.87 -48.24 62.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.826 0.346 . . . . 0.0 110.68 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -45.12 93.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.27 -35.12 73.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.445 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.597 ' HA ' HG23 ' A' ' 25' ' ' THR . 3.2 mp -68.5 -38.2 80.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.422 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -74.56 -30.75 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -72.06 -24.58 61.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.036 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.23 147.87 50.76 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 112.012 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.34 69.26 0.51 Allowed Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.463 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.597 HG23 ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -94.81 -97.65 0.16 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.211 0.204 . . . . 0.0 111.209 -179.609 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' CB ' ' CE2' ' A' ' 29' ' ' TYR . . . -178.71 126.21 0.1 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.79 0.328 . . . . 0.0 111.114 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.2 pt-20 -53.25 -34.19 56.15 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -50.4 -19.57 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.535 ' HB2' HD22 ' A' ' 20' ' ' LEU . 33.9 m-85 -82.26 -42.92 18.23 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.4 p90 -69.8 -24.09 63.43 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.947 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.35 -35.6 27.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.094 0.473 . . . . 0.0 110.142 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.15 -38.45 72.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.812 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 13' ' ' LYS . 1.1 pp -75.06 -43.4 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.549 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.69 -24.39 34.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.895 0.378 . . . . 0.0 110.861 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -81.83 -21.77 37.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.846 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.74 136.47 58.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.723 0.296 . . . . 0.0 110.96 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -77.91 -27.68 49.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.9 p -107.1 138.11 43.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.7 m -63.63 -40.39 88.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.406 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.77 -28.22 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.374 . . . . 0.0 111.252 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.03 -37.87 31.71 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.007 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.438 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 79.4 t -75.33 -46.9 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.76 0.314 . . . . 0.0 111.249 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.473 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 63.3 m95 -63.37 -29.66 70.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.674 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 p -73.4 -38.42 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.022 0.439 . . . . 0.0 110.215 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mp -75.27 -29.0 60.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.643 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -71.14 -30.57 66.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.867 0.365 . . . . 0.0 110.333 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -76.41 -39.52 53.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.009 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -37.8 80.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.309 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.663 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -77.65 -28.91 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.634 179.511 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -61.17 -33.87 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.27 -48.12 4.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.896 0.379 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.663 ' CD2' ' HA ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER 49.38 24.29 1.03 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.505 -179.833 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.407 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 28.1 m -161.26 69.32 0.33 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.22 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.407 ' CG2' ' O ' ' A' ' 53' ' ' THR . 23.3 m 44.93 -171.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.663 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.3 m -159.48 31.07 0.2 Allowed 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.375 -0.821 . . . . 0.0 110.811 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.816 0.341 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 m 63.78 131.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -28.67 69.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.95 122.87 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.284 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.48 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -81.37 47.96 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.699 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.7 tp -95.83 41.15 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.068 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mp -103.6 101.7 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -123.0 131.13 53.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.797 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.2 -30.92 18.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.572 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.531 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 1.1 pmtt? -39.88 -51.86 2.42 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.642 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -36.58 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.15 0.5 . . . . 0.0 110.466 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -79.03 -30.2 44.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.444 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.531 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -59.92 -37.12 78.55 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.189 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 7.6 tp10 -77.42 -31.76 54.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.761 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 9.7 mm-40 -52.21 -48.92 64.83 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.187 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.35 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.775 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' A' ' 30' ' ' PHE . 2.2 mm -52.88 -44.09 48.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.624 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -49.0 72.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.77 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.14 -34.63 78.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.683 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 3.3 mp -67.54 -45.2 76.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.517 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.8 t -69.38 -30.81 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.877 0.37 . . . . 0.0 111.503 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -74.09 -24.4 59.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.323 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.9 146.78 39.69 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.13 115.78 2.59 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.642 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.683 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 14.6 t -140.75 -155.27 0.57 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.197 0.522 . . . . 0.0 112.4 -178.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.469 ' O ' ' CD2' ' A' ' 29' ' ' TYR . . . -139.98 107.42 5.56 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.757 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.465 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -34.8 -34.12 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.127 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.45 -24.92 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.469 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 37.6 m-85 -71.26 -54.8 9.66 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.6 p90 -60.42 -24.02 64.83 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.872 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -82.0 -34.77 29.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.132 0.491 . . . . 0.0 110.051 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.13 -44.55 62.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 13' ' ' LYS . 1.1 pp -69.67 -42.58 80.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.427 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.6 -23.62 51.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.961 0.41 . . . . 0.0 110.863 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -83.15 -21.05 33.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.58 145.22 40.2 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.808 0.337 . . . . 0.0 111.047 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -29.59 26.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.256 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.6 p -107.99 139.07 43.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.08 -36.97 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.333 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -51.92 -28.11 15.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.208 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.8 -34.24 43.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.91 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 94.1 t -79.05 -44.52 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.811 0.339 . . . . 0.0 111.244 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.46 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 67.5 m95 -65.97 -26.48 67.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.816 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 p -78.52 -43.97 25.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.429 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.28 -43.93 84.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.745 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -61.6 -38.56 88.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.099 179.711 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -58.83 -37.8 77.25 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.71 -26.04 68.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.03 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.485 HG13 HD13 ' A' ' 20' ' ' LEU . 17.7 mm -76.23 -42.07 37.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.522 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -30.98 67.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.71 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.71 -48.07 4.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.669 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.44 ' CD2' ' HA ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER 48.1 25.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.37 179.828 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.4 m -81.29 -43.27 19.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.714 0.292 . . . . 0.0 110.563 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 m -82.58 160.72 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.004 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 m -138.56 148.43 44.19 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.014 0.435 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.044 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 68.9 p . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 120.717 0.294 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.88 -59.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.799 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.18 105.55 1.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.88 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.55 151.22 30.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.791 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.416 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -60.19 86.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.722 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.4 tp -64.97 96.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.382 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -84.59 164.86 18.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.424 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -152.99 159.58 42.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.137 0.494 . . . . 0.0 111.412 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -30.35 24.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.987 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 11.1 mttp -35.17 -51.69 0.56 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.062 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.45 -38.75 2.95 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.215 0.531 . . . . 0.0 110.599 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -79.79 -37.09 35.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.735 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.526 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -54.91 -36.32 65.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.432 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 5.8 tp10 -77.75 -31.8 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.835 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.505 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 7.2 mm-40 -53.36 -49.95 66.09 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.768 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.24 -43.34 21.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.872 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.6 mt -54.1 -43.15 58.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.294 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -65.36 -49.71 68.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.428 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.46 -39.9 94.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.287 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.695 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 1.2 mp -65.76 -45.19 83.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.706 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.9 t -68.59 -30.69 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.904 0.383 . . . . 0.0 111.184 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.05 -24.5 61.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.143 -179.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.49 145.44 36.9 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.6 113.26 1.47 Allowed Glycine 0 C--N 1.336 0.551 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.904 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.695 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 11.9 t -137.09 -160.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.353 0.597 . . . . 0.0 112.185 -177.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.461 ' CB ' ' CZ ' ' A' ' 29' ' ' TYR . . . -125.91 103.52 7.81 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.613 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.5 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 5.4 pt-20 -34.68 -34.29 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.682 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -48.51 -23.54 1.01 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.461 ' CZ ' ' CB ' ' A' ' 26' ' ' ALA . 2.4 m-30 -74.45 -54.74 6.97 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.5 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.4 p90 -62.37 -24.08 67.16 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.398 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -82.25 -26.2 33.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 0.0 110.456 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -33.39 30.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.49 HD11 ' CG1' ' A' ' 42' ' ' VAL . 0.9 OUTLIER -77.34 -44.99 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.377 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.75 -24.74 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -81.46 -25.91 35.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.96 123.86 20.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.049 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -65.2 -29.27 70.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.6 p -97.74 140.27 32.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.5 m -70.8 -34.97 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.273 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.52 -25.87 18.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.985 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.46 -35.46 36.95 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.495 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.49 ' CG1' HD11 ' A' ' 33' ' ' ILE . 93.4 t -75.15 -48.62 31.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.321 -0.44 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.471 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 75.4 m95 -62.11 -30.48 71.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.436 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 p -68.0 -51.67 44.53 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -31.79 69.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.686 178.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 3.5 ttpt -61.18 -34.84 75.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.589 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -67.7 -29.89 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.621 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -53.19 38.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.527 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.426 ' CG2' ' O ' ' A' ' 46' ' ' LYS . 2.0 tp -57.38 -27.78 29.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.843 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -72.63 -35.83 67.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.694 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.44 -48.26 4.84 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.685 0.278 . . . . 0.0 111.355 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 58.83 19.9 7.45 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.925 0.393 . . . . 0.0 111.162 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 64.35 139.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.2 t -127.56 -44.21 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.188 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.1 m -153.52 137.63 16.44 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.359 -0.829 . . . . 0.0 111.119 -179.619 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.755 0.312 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.9 m -129.87 99.22 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 61.37 155.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.07 131.13 54.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -58.92 88.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.2 tp -70.47 68.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mt -107.58 160.97 15.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.728 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -159.09 -165.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 111.227 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.506 ' CD1' ' HA ' ' A' ' 37' ' ' LYS . 8.0 mt -60.61 -31.01 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.045 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -39.82 -52.03 2.37 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.038 -179.331 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -53.99 -35.29 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.428 ' HB1' ' CD1' ' A' ' 43' ' ' TRP . . . -84.71 -34.01 23.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.276 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -61.03 -36.97 80.95 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.425 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.46 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 23.8 tt0 -76.83 -33.5 57.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.518 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.0 mm-40 -50.27 -49.12 54.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.262 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.26 -47.17 52.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.918 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 mt -54.89 -42.54 63.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.021 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -48.27 77.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -69.87 -33.9 72.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.288 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.674 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 3.3 mp -67.17 -45.14 77.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.604 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.2 t -69.08 -30.65 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.841 0.353 . . . . 0.0 111.374 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.71 -24.47 59.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.283 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.24 146.71 38.99 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.1 115.37 2.33 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.006 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.674 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 14.5 t -140.62 -157.59 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.351 0.596 . . . . 0.0 111.985 -177.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.464 ' CB ' ' CE2' ' A' ' 29' ' ' TYR . . . -134.18 104.01 6.01 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.074 -0.967 . . . . 0.0 109.776 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -34.79 -34.33 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.6 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -51.56 -23.17 3.85 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.464 ' CE2' ' CB ' ' A' ' 26' ' ' ALA . 35.8 m-85 -69.36 -54.77 12.81 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.509 ' HA ' ' CG1' ' A' ' 33' ' ' ILE . 2.5 p90 -66.5 -23.92 66.32 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.069 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -78.07 -23.49 48.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.041 0.448 . . . . 0.0 110.098 179.115 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.12 -41.97 13.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.325 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.509 ' CG1' ' HA ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -68.62 -43.94 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.809 -179.492 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.65 -23.31 16.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -100.5 0.09 38.9 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.15 76.05 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.506 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 9.1 mmmm 76.52 7.29 3.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.019 0.438 . . . . 0.0 110.858 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.4 p -137.0 139.65 41.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.188 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.5 m -70.4 -48.3 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.595 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.46 -25.09 61.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.247 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.2 -42.71 18.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.423 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.418 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 69.8 t -72.35 -47.22 53.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.788 0.328 . . . . 0.0 111.238 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.463 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 57.8 m95 -61.28 -38.4 86.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.82 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.9 p -63.82 -50.81 67.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.977 0.417 . . . . 0.0 110.155 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.67 -38.0 69.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.222 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -45.82 82.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.211 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -57.97 -31.39 66.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.112 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.27 -23.84 62.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.583 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' CD1' ' A' ' 52' ' ' PHE . 19.2 mm -78.58 -29.64 14.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.53 -30.88 47.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -99.22 -43.55 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 49' ' ' ILE . 0.7 OUTLIER 60.7 17.67 7.79 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.207 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 58.87 -173.98 0.1 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.001 179.829 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.419 ' N ' ' CG2' ' A' ' 53' ' ' THR . 21.2 t 71.2 -70.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.661 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.6 m 38.85 89.64 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.001 0.429 . . . . 0.0 111.956 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.77 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.799 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.893 0.377 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.98 157.64 45.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.709 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -110.53 -40.56 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.8 mttp 57.04 161.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.473 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.65 -20.42 11.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.827 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.2 tp -46.69 115.75 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-O 120.921 0.391 . . . . 0.0 111.446 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.2 mt -97.61 34.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.218 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m120 56.13 -175.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -75.03 -31.17 61.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.724 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.491 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -41.08 -51.91 3.29 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.752 -179.614 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -36.3 25.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.02 0.438 . . . . 0.0 110.625 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -85.45 -37.69 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.257 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.491 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -59.07 -36.92 75.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.433 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -77.36 -31.98 54.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.667 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.478 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 8.9 mm-40 -53.0 -49.58 65.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.637 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.02 -38.06 57.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.196 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.4 mt -59.37 -49.96 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.685 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -61.41 -41.75 97.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.644 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 15' ' ' GLU . 12.7 mm-40 -72.16 -33.91 68.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.266 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.616 ' HA ' HG21 ' A' ' 25' ' ' THR . 2.7 mp -63.64 -45.12 91.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.771 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -30.89 42.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.966 0.412 . . . . 0.0 110.723 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.31 -24.57 66.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.896 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 20' ' ' LEU . . . -133.7 151.16 51.56 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.86 0.362 . . . . 0.0 111.849 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.76 68.62 0.29 Allowed Glycine 0 C--O 1.237 0.296 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.56 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.616 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.7 t -106.03 -161.84 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.681 0.276 . . . . 0.0 110.693 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.551 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -108.02 152.31 24.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.742 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -77.66 -34.47 53.07 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.991 0.424 . . . . 0.0 111.832 -179.657 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -45.53 -30.51 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.482 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.421 ' CD2' HD13 ' A' ' 49' ' ' ILE . 27.2 m-85 -61.94 -54.58 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.524 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.2 p90 -60.76 -24.25 65.6 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.676 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -84.06 -35.38 23.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.04 0.448 . . . . 0.0 110.296 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -30.88 64.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.463 HD11 ' HA ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -84.25 -45.17 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.69 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.24 -26.22 38.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.908 0.385 . . . . 0.0 110.861 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -78.85 -20.33 49.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.862 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.62 110.56 8.0 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.154 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 2.3 pttt -59.28 -21.25 59.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.891 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.8 p -95.08 139.63 31.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.43 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.4 m -73.75 -40.02 53.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.228 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -54.5 -26.76 33.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.197 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.24 -34.21 41.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.147 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.428 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 77.9 t -79.47 -43.53 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.748 0.308 . . . . 0.0 111.328 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.478 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 63.5 m95 -66.06 -33.76 76.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.946 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.7 t -71.27 -49.24 45.03 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.99 0.424 . . . . 0.0 109.905 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.406 ' CB ' ' CG2' ' A' ' 33' ' ' ILE . 1.4 mm? -56.36 -34.06 66.29 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.794 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.49 -39.08 93.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.775 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.19 -34.76 70.7 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.887 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.38 -40.36 89.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.869 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.432 HG13 ' CD1' ' A' ' 20' ' ' LEU . 24.3 mm -58.09 -29.8 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.729 179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -87.7 -29.93 20.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.212 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -82.69 -37.09 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.326 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.547 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -87.07 3.86 44.42 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.073 0.463 . . . . 0.0 111.374 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.63 -63.21 1.4 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.589 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.5 m -67.4 145.8 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.011 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 m -148.3 165.28 31.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.783 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.268 0 CA-C-O 118.124 -0.941 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.847 0.356 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 44.9 m 60.52 162.4 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -59.07 113.38 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HG3' ' CG2' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -98.41 178.3 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.66 -22.12 8.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.446 ' CG2' ' HG3' ' A' ' 4' ' ' LYS . 2.4 tp -48.11 131.88 5.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.077 0.465 . . . . 0.0 111.607 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -109.75 -161.74 0.77 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.311 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -151.61 164.1 37.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.004 0.431 . . . . 0.0 111.197 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -86.09 -31.12 22.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.916 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -38.76 -42.89 0.86 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.278 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.9 -43.96 63.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.242 0.544 . . . . 0.0 110.212 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.459 ' CB ' ' HB ' ' A' ' 42' ' ' VAL . . . -75.79 -30.31 59.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.065 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' HD3' ' N ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -57.85 -36.7 72.68 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.467 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.508 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 4.9 tp10 -78.68 -31.84 46.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.901 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 4.5 mm-40 -51.85 -49.3 63.14 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.418 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.79 -43.84 52.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.058 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 20.0 mt -54.73 -45.81 73.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.67 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -47.04 83.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.799 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.74 -36.54 80.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.365 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.657 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 3.1 mp -66.78 -45.19 79.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.658 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.4 t -67.69 -30.78 49.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.857 0.36 . . . . 0.0 111.436 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -24.49 59.1 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.47 146.67 40.32 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.33 113.57 1.55 Allowed Glycine 0 C--N 1.337 0.591 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.933 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.657 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 13.9 t -139.47 -155.13 0.56 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.189 0.519 . . . . 0.0 112.091 -178.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.486 ' CB ' ' CE2' ' A' ' 29' ' ' TYR . . . -135.1 102.12 5.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.777 178.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.483 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 1.8 pm0 -34.91 -34.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.696 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -49.97 -24.75 2.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.495 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.486 ' CE2' ' CB ' ' A' ' 26' ' ' ALA . 18.4 m-85 -69.98 -54.81 11.58 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.483 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.9 p90 -61.84 -25.59 67.61 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.968 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -80.84 -26.36 37.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.087 0.47 . . . . 0.0 110.059 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 mt -82.56 -41.15 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.48 ' CG1' ' HA ' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -68.63 -44.27 82.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.317 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.51 -23.27 62.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.327 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -94.11 -12.71 27.86 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.812 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.94 -24.68 9.82 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.43 16.36 10.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.382 . . . . 0.0 110.553 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.23 159.6 42.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.425 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.0 m -88.82 -46.2 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.858 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -58.86 -24.17 61.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.733 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.37 -41.03 14.17 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.978 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 88.9 t -72.44 -48.33 48.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.737 0.303 . . . . 0.0 111.071 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.475 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 64.7 m95 -62.54 -30.52 71.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.636 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -66.07 -50.36 64.4 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' CD2' HG21 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -61.9 -29.87 70.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.721 178.739 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.418 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.86 -31.75 72.04 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.71 178.852 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -71.3 -35.59 71.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.474 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' PHE . 22.2 mt-10 -63.23 -53.12 58.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.218 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.537 HD11 ' HB ' ' A' ' 25' ' ' THR . 4.0 tp -56.97 -27.91 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.94 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.49 -39.88 77.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.681 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.98 -48.35 4.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.62 0.248 . . . . 0.0 111.277 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER 47.85 25.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.459 179.812 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 t -155.75 -164.18 1.67 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.604 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.0 t 71.06 -67.32 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.928 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.2 m -85.78 -58.79 2.51 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.007 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.422 -0.799 . . . . 0.0 110.667 179.844 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.41 160.28 20.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -107.67 124.89 50.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -105.97 176.33 5.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.01 117.04 34.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.081 0.467 . . . . 0.0 110.553 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.3 tp -84.29 116.84 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.325 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 pp -111.6 140.07 46.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -156.36 160.86 40.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.96 -31.18 27.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.544 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -39.44 -52.23 2.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.528 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -44.9 -34.54 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.217 0.532 . . . . 0.0 110.361 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -82.19 -37.77 25.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.496 179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -55.24 -36.58 66.19 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.403 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.413 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 16.3 tt0 -78.38 -31.89 48.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.595 178.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.511 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 5.9 mm-40 -51.97 -49.61 62.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.794 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.415 ' HA ' ' HB2' ' A' ' 46' ' ' LYS . . . -76.91 -38.96 52.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.07 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.5 mt -57.38 -47.87 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.228 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -62.94 -39.9 96.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.78 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.48 -33.77 67.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.61 ' HG ' HG21 ' A' ' 25' ' ' THR . 3.9 mp -62.28 -45.29 93.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.551 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -31.02 30.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 0.0 110.998 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -67.41 -24.37 65.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.809 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -135.08 146.57 49.03 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 111.907 -179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.65 82.94 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.042 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.61 HG21 ' HG ' ' A' ' 20' ' ' LEU . 6.8 t -118.72 -143.1 0.36 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 122.454 0.301 . . . . 0.0 110.87 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.484 ' O ' ' CD2' ' A' ' 20' ' ' LEU . . . -127.07 163.94 22.66 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 120.659 0.266 . . . . 0.0 110.678 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.479 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 4.0 pt-20 -85.3 -38.53 18.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.643 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -45.55 -29.37 1.15 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.55 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.424 ' CE2' ' CB ' ' A' ' 26' ' ' ALA . 31.6 m-85 -61.24 -51.63 68.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.793 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.507 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.7 p90 -65.59 -24.29 67.04 Favored 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.687 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HD3' ' CE1' ' A' ' 30' ' ' PHE . 8.2 mtpt -80.94 -27.93 35.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.119 0.485 . . . . 0.0 110.496 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.19 -42.37 19.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.059 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.495 HD13 ' CG1' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -69.23 -44.23 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.469 -179.65 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.68 -30.14 69.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.966 0.412 . . . . 0.0 110.631 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -72.82 -26.25 61.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.615 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.49 157.7 8.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.856 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -102.25 -23.83 13.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.0 p -107.73 137.68 45.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.859 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.7 m -60.88 -37.2 76.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.332 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.87 -27.66 31.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.273 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.58 -39.26 41.79 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.753 . . . . 0.0 111.884 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.495 ' CG1' HD13 ' A' ' 33' ' ' ILE . 96.5 t -76.45 -46.52 31.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.426 -0.387 . . . . 0.0 111.565 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.464 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 73.5 m95 -63.98 -24.43 67.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.025 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.9 p -77.54 -52.62 8.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.161 0.505 . . . . 0.0 109.956 178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.62 -45.05 93.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.536 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.45 ' HG2' ' HA ' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -58.63 -36.18 73.68 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.114 179.53 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.01 -31.61 70.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.167 0.508 . . . . 0.0 109.77 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -76.99 -23.8 52.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.593 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.531 ' HA ' ' CD1' ' A' ' 52' ' ' PHE . 32.3 mm -72.2 -36.0 54.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.3 -39.66 32.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.293 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.0 -48.29 7.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.772 0.32 . . . . 0.0 111.141 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.531 ' CD1' ' HA ' ' A' ' 49' ' ' ILE . 0.3 OUTLIER 46.09 25.97 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.689 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 57.29 167.88 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.7 t -128.8 -50.78 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.234 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m -113.54 152.55 30.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.008 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.998 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.662 0.268 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.9 m 61.17 84.56 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.819 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.76 -62.74 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -68.12 115.76 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.506 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.435 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -63.2 -23.7 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.785 179.612 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 5.0 tp -50.56 126.03 4.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.359 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.06 29.23 2.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.338 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.4 m120 58.9 156.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.087 0.47 . . . . 0.0 111.489 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.32 -30.88 27.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.755 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.568 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 6.2 mttt -35.4 -40.93 0.16 Allowed 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.709 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.26 -49.97 31.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.48 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -69.56 -27.69 65.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.904 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HD3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -59.67 -36.1 75.77 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.273 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.496 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 18.0 tt0 -78.78 -31.98 46.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.589 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.523 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -51.44 -49.17 62.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.359 179.201 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.2 -47.27 29.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.936 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 28.9 mt -54.31 -43.89 63.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.25 -48.94 73.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.83 -36.35 82.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.335 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.684 ' HG ' ' CG2' ' A' ' 25' ' ' THR . 2.7 mp -67.16 -45.25 77.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.783 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 t -68.72 -30.75 48.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.841 0.353 . . . . 0.0 111.249 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.17 -24.52 60.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.302 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.39 146.61 38.6 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.65 115.1 2.03 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.824 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.684 ' CG2' ' HG ' ' A' ' 20' ' ' LEU . 14.2 t -141.23 -156.11 0.65 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.444 ' CB ' ' CE2' ' A' ' 29' ' ' TYR . . . -133.35 102.37 5.52 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.102 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -35.26 -34.06 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.982 0.801 . . . . 0.0 112.618 -179.11 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -22.98 1.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.444 ' CE2' ' CB ' ' A' ' 26' ' ' ALA . 9.9 m-85 -74.15 -54.63 7.36 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -179.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.9 p90 -62.66 -24.12 67.46 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.256 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -81.73 -23.63 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.987 0.422 . . . . 0.0 110.547 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.32 -29.41 23.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.199 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 1.1 pp -83.17 -42.84 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.801 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.81 -23.63 19.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.724 0.297 . . . . 0.0 111.431 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -85.06 -24.0 28.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.407 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.14 116.9 3.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.843 0.354 . . . . 0.0 111.278 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -59.77 -31.17 69.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.536 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.65 143.62 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.54 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.5 m -75.72 -41.5 40.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.362 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -53.5 -24.69 13.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.316 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.23 -38.93 38.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.002 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.432 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 70.1 t -70.03 -43.64 79.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.824 0.345 . . . . 0.0 111.26 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CZ2' ' HG2' ' A' ' 15' ' ' GLU . 70.0 m95 -65.17 -36.02 82.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.753 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -56.06 18.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.93 0.395 . . . . 0.0 110.419 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 49' ' ' ILE . 3.1 mm? -53.01 -37.7 61.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.326 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -61.54 -42.49 98.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.143 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -54.86 -34.07 62.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.984 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -71.3 -31.9 67.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.259 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.439 HD13 HG21 ' A' ' 49' ' ' ILE . 30.1 mm -64.63 -27.91 43.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.03 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -28.09 23.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.379 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.63 -36.74 28.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.184 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -88.09 6.54 35.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.218 0.532 . . . . 0.0 111.759 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 t -124.99 126.19 45.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.813 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -144.49 -57.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.121 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -136.82 -54.96 0.72 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.939 179.789 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.893 0.378 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.17 21.9 10.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.071 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 60.69 153.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.893 0.377 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -57.43 132.87 54.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.4 -20.35 21.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.611 179.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.2 tp -49.77 143.26 2.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.354 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 pp -133.81 87.19 2.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 59.67 162.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.2 -31.21 58.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.919 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 11.2 mptt -35.83 -47.71 0.52 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.65 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -48.32 38.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.813 0.339 . . . . 0.0 110.479 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -68.33 -27.89 66.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.653 179.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HA ' ' CD1' ' A' ' 33' ' ' ILE . 0.4 OUTLIER -60.72 -35.94 77.59 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.285 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 3.8 mt-10 -76.49 -33.36 58.66 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.511 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -51.18 -49.08 61.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.599 179.386 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.78 -42.39 61.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.9 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.424 HD13 ' CD2' ' A' ' 30' ' ' PHE . 5.6 mm -56.82 -48.74 80.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.777 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -60.94 -44.11 97.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.58 -33.88 67.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.442 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.587 ' HA ' HG22 ' A' ' 25' ' ' THR . 3.4 mp -67.52 -40.48 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.36 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 t -72.5 -30.77 35.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.112 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -24.47 61.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.155 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.52 149.71 52.42 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.948 0.404 . . . . 0.0 111.87 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.84 68.72 0.43 Allowed Glycine 0 CA--C 1.517 0.162 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.659 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.587 HG22 ' HA ' ' A' ' 20' ' ' LEU . 1.2 t -104.22 -162.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 122.416 0.287 . . . . 0.0 110.578 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.558 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -106.07 133.55 50.61 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 120.772 0.32 . . . . 0.0 111.376 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -59.14 -34.18 71.76 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.743 -179.839 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -43.87 -36.28 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.904 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.425 ' CD2' HD11 ' A' ' 49' ' ' ILE . 38.6 m-85 -57.1 -54.51 45.98 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.477 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.5 p90 -62.02 -24.2 66.91 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.733 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.62 -32.56 23.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.07 0.462 . . . . 0.0 110.423 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -29.85 45.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.127 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.479 ' CD1' ' HA ' ' A' ' 13' ' ' LYS . 1.1 pp -83.12 -44.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.65 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.04 -23.62 55.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.92 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -82.08 -24.08 35.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.54 130.71 46.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.805 0.336 . . . . 0.0 110.97 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -77.35 -7.31 55.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.032 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.5 p -117.58 140.36 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.36 -42.73 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.252 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -54.11 -24.69 18.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.48 -40.77 26.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.067 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.411 ' CG1' ' HB ' ' A' ' 33' ' ' ILE . 79.0 t -70.68 -45.8 72.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.754 0.311 . . . . 0.0 111.278 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.511 ' CZ2' ' HG2' ' A' ' 15' ' ' GLU . 70.8 m95 -64.24 -36.2 83.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.801 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 p -62.51 -56.15 20.77 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.98 0.419 . . . . 0.0 110.223 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -57.5 -35.1 69.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.111 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -45.26 95.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.113 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -36.09 65.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.015 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -36.24 83.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.123 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.463 HG23 HG22 ' A' ' 25' ' ' THR . 11.3 mm -63.61 -28.28 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.062 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -22.14 25.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.697 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.86 -34.53 10.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.546 0.212 . . . . 0.0 111.469 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -83.16 -0.1 47.72 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 121.16 0.505 . . . . 0.0 111.452 -179.762 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -66.57 -59.54 3.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.433 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.8 m -133.08 167.98 25.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.984 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.8 m -140.9 106.85 5.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.896 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 C--O 1.242 0.682 0 CA-C-O 118.104 -0.951 . . . . 0.0 110.962 -179.903 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.765 0.317 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 m -161.26 66.58 0.29 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -60.51 164.59 4.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -67.04 127.72 33.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -59.57 91.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.428 ' HA ' HD12 ' A' ' 6' ' ' ILE . 2.7 tp -54.49 138.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.424 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.3 mt -105.83 -151.78 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.422 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -44.03 154.7 0.1 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.094 0.473 . . . . 0.0 111.92 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -30.81 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.067 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.52 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -35.36 -49.58 0.52 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.841 -179.558 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -43.54 -38.76 3.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.027 0.442 . . . . 0.0 110.755 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 15' ' ' GLU . . . -80.66 -32.88 35.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.833 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -59.7 -36.78 77.22 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.382 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -77.22 -31.85 55.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.768 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.502 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.5 mm-40 -51.92 -49.15 63.66 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.336 179.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.76 -42.35 61.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.078 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.401 HG22 HD12 ' A' ' 17' ' ' ILE . 30.9 mt -56.45 -47.42 81.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.617 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -45.24 95.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.787 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.58 -35.41 70.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.29 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' A' ' 29' ' ' TYR . 4.5 mp -67.96 -36.44 80.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.31 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.1 t -73.44 -30.6 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.89 0.376 . . . . 0.0 110.747 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.47 -24.72 61.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.983 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.71 146.46 43.78 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.94 0.4 . . . . 0.0 111.979 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.25 65.15 0.75 Allowed Glycine 0 C--O 1.227 -0.33 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.493 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.572 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.4 -89.85 0.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.415 0.15 . . . . 0.0 111.232 -179.762 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.484 ' O ' HD23 ' A' ' 20' ' ' LEU . . . 179.23 122.01 0.05 Allowed 'General case' 0 C--O 1.225 -0.203 0 CA-C-O 120.782 0.325 . . . . 0.0 111.083 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.487 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -48.79 -46.96 42.28 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.945 -179.363 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.33 -39.96 0.32 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.58 ' HB2' HD23 ' A' ' 20' ' ' LEU . 32.8 m-85 -56.89 -51.97 66.98 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.1 p90 -65.31 -24.15 67.2 Favored 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 120.306 -0.557 . . . . 0.0 111.035 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.76 -33.71 24.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.059 0.456 . . . . 0.0 110.291 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.86 -35.86 64.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.464 HD11 ' HA ' ' A' ' 13' ' ' LYS . 1.0 OUTLIER -77.21 -45.09 30.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.525 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.28 -28.72 59.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.993 0.425 . . . . 0.0 110.747 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -74.44 -26.11 59.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.69 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.01 138.97 58.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.902 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 13.05 19.16 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.11 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.8 p -134.4 139.02 45.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.348 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 40' ' ' GLU . 35.4 m -68.12 -37.39 78.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.258 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.433 ' N ' HG22 ' A' ' 39' ' ' VAL . 10.3 mt-10 -60.73 -25.47 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.74 -40.67 25.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.157 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.429 ' HB ' ' CB ' ' A' ' 12' ' ' ALA . 86.5 t -73.78 -47.39 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.718 0.294 . . . . 0.0 111.424 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.502 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 61.0 m95 -63.3 -29.72 70.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.695 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -69.49 -55.52 9.99 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.022 0.439 . . . . 0.0 110.102 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.46 -36.88 67.05 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.16 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -39.82 92.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.039 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -58.96 -32.86 70.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.14 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -70.4 -32.96 70.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.2 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.456 HG21 HG22 ' A' ' 25' ' ' THR . 17.6 mm -64.68 -43.08 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.955 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -69.52 -31.88 70.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.298 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 -42.16 26.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.715 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.556 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -91.07 8.09 37.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.144 0.497 . . . . 0.0 111.032 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.87 -63.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.766 179.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.2 m -55.93 153.87 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-O 121.107 0.48 . . . . 0.0 111.254 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.2 m -111.2 134.56 52.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.878 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.571 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.647 0.261 . . . . 0.0 111.078 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.52 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -35.52 -51.7 0.64 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.062 -179.664 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -37.99 4.84 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.052 0.453 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.656 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -80.86 -32.4 35.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.723 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.64 -36.86 77.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 18.5 tt0 -77.33 -32.35 55.18 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.632 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.48 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 6.1 mm-40 -51.74 -49.13 63.17 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.398 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.36 -44.12 59.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.01 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.879 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.1 mm -54.41 -43.81 64.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.525 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -63.73 -48.04 78.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -67.19 -36.26 81.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.069 HD12 HG21 ' A' ' 49' ' ' ILE . 3.4 mp -66.25 -45.21 81.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.527 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 17' ' ' ILE . 21.8 t -68.31 -30.82 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.869 0.366 . . . . 0.0 111.395 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.49 -24.39 60.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.299 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.91 146.03 36.89 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.89 114.45 1.82 Allowed Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.632 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.902 HG21 ' HG ' ' A' ' 20' ' ' LEU . 15.1 t -138.14 -159.35 0.95 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.164 0.507 . . . . 0.0 112.358 -177.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.865 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -133.63 105.07 6.65 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.254 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -34.73 -34.31 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.028 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -48.55 -25.68 1.83 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.637 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.865 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 29.7 m-85 -71.47 -54.84 9.27 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.4 p90 -60.76 -24.16 65.53 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.967 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.49 -32.53 28.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.084 0.469 . . . . 0.0 110.128 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.57 -40.31 61.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.937 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.773 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -73.36 -44.36 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.433 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.55 -25.87 60.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.887 0.375 . . . . 0.0 110.764 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -78.7 -24.1 45.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.807 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.91 136.91 58.22 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.85 0.357 . . . . 0.0 111.067 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -27.45 50.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.1 p -104.06 139.25 39.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.601 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 9' ' ' LEU . 35.9 m -66.14 -37.18 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.306 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.621 ' O ' HG22 ' A' ' 44' ' ' THR . 7.9 mt-10 -53.32 -27.17 21.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.139 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.28 -31.91 49.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.042 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.773 HG13 HD13 ' A' ' 33' ' ' ILE . 92.4 t -81.64 -43.11 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.772 0.32 . . . . 0.0 111.39 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.48 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 65.7 m95 -67.49 -29.14 68.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.01 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 40' ' ' GLU . 8.1 t -77.96 -47.44 18.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.991 0.424 . . . . 0.0 110.083 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.445 HD22 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.33 -38.17 82.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.961 179.173 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -65.22 -32.96 74.9 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.053 179.383 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 74.6 m-20 -62.21 -34.71 76.99 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.35 -28.56 66.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.067 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.069 HG21 HD12 ' A' ' 20' ' ' LEU . 19.9 mm . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.6 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.812 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.666 0.27 . . . . 0.0 111.014 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.512 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 3.9 mmtp -39.77 -51.96 2.34 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.535 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -48.13 -37.36 15.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.181 0.515 . . . . 0.0 110.461 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.64 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -80.37 -31.54 37.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.678 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -61.2 -36.68 80.53 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.322 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.431 ' HG2' ' HD2' ' A' ' 13' ' ' LYS . 7.0 mm-40 -76.06 -31.8 58.97 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.648 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.482 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 8.6 mm-40 -53.15 -49.26 66.96 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.568 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 46' ' ' LYS . . . -73.31 -42.36 62.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.964 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.8 mt -55.9 -46.9 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.592 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -51.41 69.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.179 0.514 . . . . 0.0 110.412 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.92 -39.23 88.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.425 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.998 HD12 HG21 ' A' ' 49' ' ' ILE . 3.3 mp -60.41 -25.57 66.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.405 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 17' ' ' ILE . 0.5 OUTLIER -81.51 -30.95 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.016 0.436 . . . . 0.0 110.253 179.296 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -24.64 66.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.408 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.64 ' O ' HG22 ' A' ' 25' ' ' THR . . . -136.32 151.99 50.19 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.571 0.224 . . . . 0.0 111.567 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.63 -43.78 8.08 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.312 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.752 HG21 ' HG ' ' A' ' 20' ' ' LEU . 15.0 t 29.93 -148.29 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 178.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 29' ' ' TYR . . . -154.93 131.59 10.63 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -49.35 -34.13 15.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.83 -179.491 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -44.97 -27.48 0.55 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.386 0.514 . . . . 0.0 112.386 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.472 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 26.0 m-85 -72.73 -54.82 7.9 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.1 p90 -60.22 -23.93 64.43 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.14 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.29 -32.45 26.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.035 0.445 . . . . 0.0 110.393 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -29.9 59.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.992 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.784 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -86.64 -44.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.791 -179.544 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.4 -24.64 31.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.998 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -80.41 -24.02 39.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.763 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.14 132.06 52.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.874 0.369 . . . . 0.0 110.925 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -24.24 58.09 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.344 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.4 p -105.76 138.73 41.45 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.736 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.812 HG12 ' HA ' ' A' ' 9' ' ' LEU . 29.6 m -66.24 -38.02 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.3 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.532 ' O ' HG23 ' A' ' 44' ' ' THR . 2.1 mp0 -53.01 -27.84 21.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.268 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.79 -34.67 42.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.004 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.784 HG13 HD13 ' A' ' 33' ' ' ILE . 81.5 t -78.86 -44.54 25.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.783 0.325 . . . . 0.0 111.266 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.576 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 61.5 m95 -65.28 -29.16 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.766 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 40' ' ' GLU . 14.7 p -75.59 -46.8 29.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.512 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD2' HG23 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -63.58 -43.61 96.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.092 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.545 ' HG2' ' HA ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -62.11 -33.18 73.97 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.114 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -62.91 -35.78 81.19 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -28.91 69.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.043 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.998 HG21 HD12 ' A' ' 20' ' ' LEU . 38.3 mm . . . . . 0 N--CA 1.455 -0.212 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.424 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.551 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.646 0.26 . . . . 0.0 111.028 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.537 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 12.4 mmtm -35.27 -47.9 0.43 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.319 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -46.11 -34.33 4.12 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.122 0.487 . . . . 0.0 110.728 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.682 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -83.55 -32.44 25.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.633 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.537 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.19 -37.1 81.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.199 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 5.8 tp10 -77.26 -31.86 55.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.79 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 6.6 mm-40 -52.15 -49.18 64.26 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.298 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.491 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.59 -41.59 62.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.097 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.7 mt -55.79 -48.85 77.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.658 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -44.73 96.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.769 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.98 -34.31 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.445 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.143 HD12 HG21 ' A' ' 49' ' ' ILE . 3.4 mp -67.5 -43.11 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.276 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 17' ' ' ILE . 12.2 t -69.05 -30.67 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -24.43 60.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.338 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.512 ' O ' HG22 ' A' ' 25' ' ' THR . . . -130.92 150.19 52.19 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.974 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.99 66.24 0.48 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.701 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.643 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.2 t -102.14 -163.44 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 122.702 0.401 . . . . 0.0 110.669 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.703 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -101.97 140.28 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.686 0.279 . . . . 0.0 110.987 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 6.7 mm-40 -70.28 -34.35 72.68 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.516 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -48.4 -29.04 3.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.649 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.703 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 20.3 m-85 -61.78 -54.47 41.96 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.527 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.5 p90 -61.53 -24.36 66.57 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.593 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -86.27 -30.66 22.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.064 0.459 . . . . 0.0 110.402 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 mt -78.93 -29.06 43.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.804 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.805 HD13 HG13 ' A' ' 42' ' ' VAL . 1.2 pp -87.59 -41.24 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.542 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.48 -23.79 17.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.677 0.275 . . . . 0.0 111.467 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -87.04 -18.15 31.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.376 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.44 121.46 12.16 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.73 0.3 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -29.43 70.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.849 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.5 p -98.32 140.17 32.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 9' ' ' LEU . 35.4 m -71.01 -40.31 75.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.299 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 44' ' ' THR . 0.4 OUTLIER -54.25 -25.28 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.137 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.83 -37.79 32.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.832 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.805 HG13 HD13 ' A' ' 33' ' ' ILE . 78.9 t -74.88 -47.06 38.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.797 0.332 . . . . 0.0 111.176 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.501 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 64.5 m95 -63.17 -29.17 70.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.581 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 40' ' ' GLU . 3.0 p -70.65 -56.0 7.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.016 0.436 . . . . 0.0 110.2 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.589 HD22 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -55.14 -34.77 64.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.064 179.246 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -60.75 -44.5 96.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.046 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.61 -34.7 65.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.075 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.81 -36.99 81.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.217 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.143 HG21 HD12 ' A' ' 20' ' ' LEU . 26.6 mm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.772 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.725 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.654 0.264 . . . . 0.0 110.881 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.512 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -40.17 -51.74 2.64 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.497 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -45.48 -33.68 2.8 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.159 0.504 . . . . 0.0 110.46 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.67 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -84.27 -34.94 23.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.647 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -59.62 -36.88 77.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.333 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 37.9 tp10 -77.98 -31.79 50.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.735 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.503 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.4 mm-40 -52.05 -49.03 64.26 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.376 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.6 -42.85 60.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.027 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.903 ' O ' HG23 ' A' ' 21' ' ' VAL . 8.9 mt -55.03 -48.38 75.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.702 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.49 -43.32 99.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -73.17 -34.11 65.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.481 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.06 HD12 HG21 ' A' ' 49' ' ' ILE . 2.9 mp -67.16 -38.71 85.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 111.253 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 17' ' ' ILE . 11.4 t -74.42 -30.84 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.063 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -24.51 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.99 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.485 ' O ' HG22 ' A' ' 25' ' ' THR . . . -132.12 150.59 52.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.824 0.345 . . . . 0.0 111.855 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.32 71.0 0.34 Allowed Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.442 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.715 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.6 t -107.08 -164.34 0.98 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.43 0.292 . . . . 0.0 110.885 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.558 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -103.04 143.0 33.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.709 0.29 . . . . 0.0 111.298 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.507 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 1.6 mm-40 -70.17 -35.13 73.77 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.563 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -46.25 -31.44 2.5 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.933 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 18.7 m-85 -61.82 -54.53 40.95 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.542 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.3 p90 -61.36 -24.07 66.22 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.779 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.48 -40.41 19.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.155 0.503 . . . . 0.0 110.162 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -36.38 80.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.799 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -77.28 -45.06 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.643 -179.66 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.3 -25.13 47.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.95 0.405 . . . . 0.0 110.715 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -80.12 -18.63 49.32 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.776 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.04 141.78 58.04 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.761 0.315 . . . . 0.0 110.917 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.16 -28.91 29.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.782 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.2 p -103.14 140.07 37.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.704 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' ' 9' ' ' LEU . 30.6 m -65.84 -38.68 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.47 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.53 ' O ' HG23 ' A' ' 44' ' ' THR . 4.1 mt-10 -52.28 -27.25 14.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.231 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.81 -38.99 29.91 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.885 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.799 HG13 HD13 ' A' ' 33' ' ' ILE . 76.9 t -73.95 -46.89 44.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.793 0.33 . . . . 0.0 111.251 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.514 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 66.4 m95 -63.54 -29.56 70.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.739 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 40' ' ' GLU . 3.0 p -70.29 -55.86 8.17 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.988 0.423 . . . . 0.0 110.223 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 45' ' ' LEU . 2.0 mm? -55.61 -35.91 66.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.068 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -41.55 89.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.971 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -58.74 -34.04 70.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.953 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.15 -24.0 64.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.439 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.06 HG21 HD12 ' A' ' 20' ' ' LEU . 21.6 mm . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.897 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.7 HD21 ' N ' ' A' ' 38' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.588 0.232 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.537 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -51.98 -51.67 55.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.958 0.409 . . . . 0.0 110.048 179.046 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -50.9 -36.46 38.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.149 0.499 . . . . 0.0 110.199 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.679 ' HB2' ' CD1' ' A' ' 43' ' ' TRP . . . -81.32 -30.89 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.854 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.549 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.82 -37.32 81.61 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.541 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 9.4 pt-20 -77.93 -32.05 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.734 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 7.3 mm-40 -50.76 -49.06 58.94 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.27 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.489 ' O ' HD13 ' A' ' 20' ' ' LEU . . . -73.01 -42.79 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.982 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.899 ' O ' HG23 ' A' ' 21' ' ' VAL . 17.3 mt -55.4 -49.46 72.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.988 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -47.01 88.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.22 -35.35 79.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.249 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.062 HD12 HG21 ' A' ' 49' ' ' ILE . 3.7 mp -64.15 -45.13 89.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.444 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 17' ' ' ILE . 2.3 t -68.35 -30.79 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.934 0.397 . . . . 0.0 111.159 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.45 -24.54 62.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.25 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.2 146.07 36.44 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.89 114.07 1.42 Allowed Glycine 0 C--N 1.338 0.673 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.911 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.1 t -139.58 -158.11 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.255 0.55 . . . . 0.0 112.325 -178.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.863 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -136.36 106.02 6.17 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.263 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.4 mm-40 -34.85 -34.15 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.611 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -51.06 -24.1 3.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.912 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.863 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 35.2 m-85 -70.7 -54.78 10.5 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 27' ' ' GLU . 1.9 p90 -61.38 -24.16 66.29 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.757 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -30.59 33.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.116 0.484 . . . . 0.0 110.068 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.11 -44.59 37.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.855 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.724 HD13 HG13 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -68.27 -45.46 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.413 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.0 -27.26 61.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.01 0.433 . . . . 0.0 110.638 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -75.66 -23.84 56.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.633 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.76 -176.47 0.01 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.987 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.547 ' HA ' HD11 ' A' ' 9' ' ' LEU . 1.1 mptt -139.22 21.36 2.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.977 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.7 ' N ' HD21 ' A' ' 9' ' ' LEU . 39.3 p -149.79 139.61 21.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.652 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 m -60.47 -37.94 76.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.178 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.547 ' O ' HG22 ' A' ' 44' ' ' THR . 5.7 mm-40 -64.08 -25.65 68.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.365 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.503 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -76.18 -42.32 24.22 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.427 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.724 HG13 HD13 ' A' ' 33' ' ' ILE . 76.7 t -79.74 -46.3 22.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.786 0.327 . . . . 0.0 111.312 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.679 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 55.2 m95 -62.93 -30.4 71.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.301 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 40' ' ' GLU . 11.7 t -75.63 -48.56 21.66 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.535 HD22 ' CG2' ' A' ' 33' ' ' ILE . 3.0 mp -57.24 -35.6 69.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.203 0.525 . . . . 0.0 109.63 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -62.77 -39.55 94.54 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.929 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -59.47 -34.34 72.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.04 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.94 -32.51 73.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.285 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.062 HG21 HD12 ' A' ' 20' ' ' LEU . 21.0 mm . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.779 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.688 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.547 0.213 . . . . 0.0 110.99 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.485 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -37.5 -51.56 1.15 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.819 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.36 -36.08 3.99 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.137 0.494 . . . . 0.0 110.679 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.659 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -82.37 -33.78 28.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.656 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.598 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -61.16 -36.45 79.84 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.446 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 2.2 mm-40 -75.66 -31.85 59.94 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.595 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 9.3 mm-40 -53.24 -49.25 67.24 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.587 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.39 -45.23 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.079 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.86 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.6 mt -54.97 -43.61 69.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.864 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -63.68 -47.71 80.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HG3' ' CG ' ' A' ' 46' ' ' LYS . 19.0 mm-40 -68.98 -37.05 78.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.359 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.996 HD12 HG21 ' A' ' 49' ' ' ILE . 3.4 mp -64.74 -45.01 88.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.62 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 17' ' ' ILE . 24.8 t -67.79 -30.86 49.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.982 0.42 . . . . 0.0 111.274 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.4 -24.41 61.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.315 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.61 145.9 35.58 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.96 112.97 1.22 Allowed Glycine 0 C--N 1.336 0.56 0 C-N-CA 120.877 -0.677 . . . . 0.0 111.644 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.888 HG21 ' HG ' ' A' ' 20' ' ' LEU . 15.3 t -135.84 -158.16 0.85 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.172 0.511 . . . . 0.0 112.223 -177.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.891 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -134.6 106.62 7.07 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.776 178.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 3.7 mp0 -34.63 -34.34 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.371 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -49.93 -24.15 2.37 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.891 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 36.5 m-85 -73.48 -54.8 7.39 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 27' ' ' GLU . 1.9 p90 -62.52 -23.94 67.23 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.2 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -81.54 -34.42 31.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.09 0.472 . . . . 0.0 110.185 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -35.77 69.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.827 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.868 HG23 HD22 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -78.65 -44.86 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.556 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.09 -25.66 46.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.78 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -79.19 -23.59 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.756 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.86 133.0 54.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.828 0.347 . . . . 0.0 111.031 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.16 -25.91 58.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.668 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.6 p -104.29 138.82 40.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.869 0.366 . . . . 0.0 110.791 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.688 HG12 ' HA ' ' A' ' 9' ' ' LEU . 28.2 m -66.14 -40.27 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.437 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 44' ' ' THR . 1.2 mt-10 -51.53 -26.63 8.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.179 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.73 -37.3 30.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.799 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.761 HG13 HD13 ' A' ' 33' ' ' ILE . 71.0 t -73.67 -47.04 45.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.745 0.307 . . . . 0.0 111.149 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.496 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 66.1 m95 -62.55 -35.37 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.593 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 40' ' ' GLU . 8.3 p -64.4 -54.92 25.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.023 0.439 . . . . 0.0 110.24 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.868 HD22 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -54.1 -37.88 64.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.127 179.262 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' CG ' ' HG3' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -55.44 -46.06 76.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.121 179.25 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -56.71 -33.9 66.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.863 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.66 -23.8 63.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.512 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.996 HG21 HD12 ' A' ' 20' ' ' LEU . 21.5 mm . . . . . 0 C--N 1.333 -0.128 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.735 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.472 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.707 0.289 . . . . 0.0 111.106 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -45.79 -52.19 11.56 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.079 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -50.6 -34.04 24.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.132 0.491 . . . . 0.0 110.278 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.646 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -81.9 -31.28 31.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.654 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.99 -36.96 78.3 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.373 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.434 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 20.9 pt-20 -78.52 -31.95 47.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.834 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.514 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.0 mm-40 -51.24 -49.26 61.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.322 179.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -74.26 -42.27 59.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.074 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.905 ' O ' HG23 ' A' ' 21' ' ' VAL . 19.3 mt -56.3 -48.52 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.684 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -61.53 -43.09 99.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -73.7 -33.85 64.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.529 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.996 HD12 HG21 ' A' ' 49' ' ' ILE . 3.2 mp -67.51 -37.12 82.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.209 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 17' ' ' ILE . 11.5 t -75.77 -30.72 21.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.017 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.04 -24.37 61.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.943 -0.572 . . . . 0.0 112.053 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 25' ' ' THR . . . -130.89 150.74 51.91 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.858 0.361 . . . . 0.0 111.75 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.6 69.46 0.73 Allowed Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.645 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.3 t -101.78 -143.0 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 122.274 0.23 . . . . 0.0 110.446 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.657 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -131.96 131.4 42.57 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 111.873 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.6 pt-20 -54.18 -33.95 59.32 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.551 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -48.11 -20.85 0.39 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.479 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.657 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 28.8 m-85 -79.08 -46.79 17.36 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.515 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.3 p90 -66.97 -24.26 66.04 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.289 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -32.48 22.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 110.459 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.91 -30.75 62.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.653 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.846 HG23 HD22 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -82.73 -45.01 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.722 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.59 -23.56 41.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 110.891 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -83.13 -21.71 33.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.49 145.41 39.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.702 0.287 . . . . 0.0 110.971 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.7 19.26 11.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.083 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -152.06 136.94 17.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.681 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 9' ' ' LEU . 18.4 m -61.32 -44.77 99.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.593 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.575 ' O ' HG23 ' A' ' 44' ' ' THR . 2.0 mt-10 -51.27 -27.6 9.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.296 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.93 -41.26 23.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.001 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.81 HG13 HD13 ' A' ' 33' ' ' ILE . 76.1 t -72.74 -48.03 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.716 0.294 . . . . 0.0 111.315 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 64.5 m95 -61.36 -33.2 73.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 40' ' ' GLU . 6.6 p -67.01 -54.74 18.79 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.007 0.432 . . . . 0.0 110.188 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.846 HD22 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -52.77 -35.14 55.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.257 179.39 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HA ' HG12 ' A' ' 49' ' ' ILE . 3.4 ttpt -61.42 -45.18 95.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.214 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -33.5 62.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.256 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -69.25 -35.89 76.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.182 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.996 HG21 HD12 ' A' ' 20' ' ' LEU . 19.6 mm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.73 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.526 0.04 0 CA-C-O 120.56 0.219 . . . . 0.0 111.355 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.52 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -35.61 -51.83 0.66 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.327 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -47.27 -37.44 10.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.131 0.491 . . . . 0.0 110.694 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.632 ' HB2' ' CD1' ' A' ' 43' ' ' TRP . . . -82.18 -32.31 30.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.129 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.52 -37.11 77.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.446 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 10.9 pt-20 -78.06 -32.19 50.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.776 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 4.7 mm-40 -50.48 -49.17 56.07 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.242 178.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 -46.42 49.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.902 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.874 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.5 mt -52.5 -44.13 43.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -48.77 71.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.071 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.45 -37.58 83.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.464 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.918 ' HG ' HG21 ' A' ' 25' ' ' THR . 3.4 mp -64.26 -45.19 89.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.616 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 17' ' ' ILE . 26.3 t -67.0 -30.78 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.874 0.369 . . . . 0.0 111.288 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -24.55 60.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.1 146.31 38.72 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.68 112.86 1.15 Allowed Glycine 0 C--N 1.335 0.513 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.784 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.918 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.8 t -138.83 -158.95 0.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.268 0.556 . . . . 0.0 112.056 -178.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.9 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -131.63 100.69 5.21 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.901 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.9 pt-20 -34.84 -34.14 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.596 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -48.87 -24.55 1.5 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.455 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.9 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 17.4 m-85 -71.47 -54.73 9.62 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.8 p90 -61.48 -24.64 66.72 Favored 'General case' 0 N--CA 1.461 0.113 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.995 -179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -28.75 32.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.05 0.452 . . . . 0.0 110.046 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.82 -39.97 29.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.855 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.723 HD13 HG13 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -70.35 -44.97 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.366 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.87 -23.23 42.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.373 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -95.95 -9.56 30.89 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.915 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.63 -26.4 32.66 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 67.23 15.94 10.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.771 0.319 . . . . 0.0 110.649 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.91 145.25 32.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.47 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 40' ' ' GLU . 35.4 m -75.75 -48.29 30.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.77 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 44' ' ' THR . 16.7 mt-10 -59.19 -25.97 64.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 111.431 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.49 -39.4 25.98 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.35 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.723 HG13 HD13 ' A' ' 33' ' ' ILE . 89.9 t -74.42 -46.78 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.821 0.344 . . . . 0.0 111.497 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.632 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 58.4 m95 -62.46 -37.3 85.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.689 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 40' ' ' GLU . 16.4 p -64.99 -53.73 41.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.946 0.403 . . . . 0.0 110.258 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.479 HD23 HG23 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -57.55 -33.16 67.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.367 179.56 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -60.96 -40.88 95.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.324 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.84 -33.81 76.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.376 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.69 -40.49 97.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.582 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.84 HG21 HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.477 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.696 HD21 ' C ' ' A' ' 37' ' ' LYS . 3.3 mt . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.537 0.208 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.512 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 21.9 mmtt -37.71 -51.93 1.25 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.728 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -47.43 -35.3 8.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.182 0.515 . . . . 0.0 110.437 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.667 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -82.65 -33.34 27.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.723 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.586 ' HE3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -60.74 -36.96 80.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.461 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.412 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 4.0 tp10 -77.5 -31.77 53.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.751 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.514 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 12.7 mm-40 -52.64 -49.17 65.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.419 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.41 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -73.99 -41.85 61.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.905 ' O ' HG23 ' A' ' 21' ' ' VAL . 9.9 mt -56.71 -48.99 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -61.68 -40.36 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' CG ' ' A' ' 46' ' ' LYS . 23.4 mm-40 -75.28 -33.93 61.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.485 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.089 HD12 HG21 ' A' ' 49' ' ' ILE . 1.9 mp -66.99 -39.57 87.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 17' ' ' ILE . 4.0 t -74.85 -30.76 24.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.027 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.33 -24.49 63.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.025 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' ' 25' ' ' THR . . . -130.72 150.52 51.86 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.737 0.304 . . . . 0.0 111.795 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.66 67.67 0.28 Allowed Glycine 0 CA--C 1.518 0.223 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.704 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.744 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.6 t -107.14 -175.58 2.83 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 122.532 0.333 . . . . 0.0 110.835 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.468 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -89.84 161.45 15.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.372 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 1.5 pm0 -85.31 -33.96 21.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.969 0.414 . . . . 0.0 111.551 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -42.83 -35.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.909 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.502 ' CD2' HD12 ' A' ' 49' ' ' ILE . 36.0 m-85 -55.52 -54.62 41.69 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.49 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.5 p90 -65.07 -24.02 67.34 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.995 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 2.1 mtmp? -83.83 -33.13 24.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.01 0.433 . . . . 0.0 110.473 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mt -78.47 -32.53 48.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.124 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.778 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -79.87 -46.26 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.638 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.44 -25.9 27.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.881 0.372 . . . . 0.0 110.696 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -77.89 -28.59 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.562 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.01 133.62 56.27 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.944 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.696 ' C ' HD21 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -86.12 -7.31 58.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.924 179.568 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.5 p -110.85 137.85 47.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.817 0.341 . . . . 0.0 110.377 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 40' ' ' GLU . 27.4 m -67.37 -43.41 87.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.34 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 44' ' ' THR . 1.1 pt-20 -55.03 -24.24 23.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.412 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -76.84 -43.36 18.06 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.216 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.778 HG13 HD13 ' A' ' 33' ' ' ILE . 73.6 t -71.48 -45.88 66.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.631 0.253 . . . . 0.0 111.426 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.514 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 62.5 m95 -63.78 -33.25 75.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.861 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 40' ' ' GLU . 3.1 p -66.28 -55.82 14.21 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.95 0.405 . . . . 0.0 110.232 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 45' ' ' LEU . 3.0 mm? -53.86 -35.54 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.081 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' CG ' ' HG3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -58.62 -42.16 87.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.031 179.087 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -59.14 -33.43 70.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.079 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -68.96 -24.89 64.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.644 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.089 HG21 HD12 ' A' ' 20' ' ' LEU . 12.0 mm . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.041 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 120.664 0.269 . . . . 0.0 111.415 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.502 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 26.3 mmtp -37.74 -51.78 1.26 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.907 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -37.55 12.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.004 0.431 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.704 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -84.5 -36.97 21.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.049 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -60.05 -36.68 77.84 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.301 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -76.32 -31.87 58.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.934 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.485 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 7.3 mm-40 -53.51 -49.61 67.2 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.508 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.47 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -75.23 -42.76 54.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.881 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.871 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.5 mt -57.79 -46.54 87.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.298 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -58.91 -44.69 91.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -72.48 -34.24 67.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.831 ' CD1' HG21 ' A' ' 49' ' ' ILE . 4.4 mp -73.47 -24.46 60.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 17' ' ' ILE . 93.7 t -80.96 -30.94 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.91 0.386 . . . . 0.0 110.54 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.73 -24.55 53.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.319 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.506 ' O ' HG22 ' A' ' 25' ' ' THR . . . -134.58 155.44 50.42 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.987 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.86 -52.33 51.61 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.839 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.673 HG21 ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 35.79 -104.83 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 179.559 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.99 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . 177.6 128.27 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.923 0.392 . . . . 0.0 111.265 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 2.2 pt-20 -56.5 -34.07 66.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.975 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.66 -22.9 0.33 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.99 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 25.3 m-85 -81.19 -54.08 5.82 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -57.31 -24.15 53.17 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.164 -179.398 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.67 -32.16 23.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.021 0.439 . . . . 0.0 110.336 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -29.36 61.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.794 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.79 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -85.59 -44.63 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.679 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.68 -25.11 38.06 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.854 0.359 . . . . 0.0 110.924 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -80.56 -19.96 44.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.9 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.66 109.91 6.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.173 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 13.3 mttm -59.6 -20.71 57.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.986 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.3 p -94.78 140.3 30.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.854 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 40' ' ' GLU . 32.3 m -73.83 -41.96 53.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.359 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.606 ' O ' HG22 ' A' ' 44' ' ' THR . 7.4 pt-20 -55.21 -23.93 24.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.494 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.35 -35.77 32.51 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.307 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.79 HG13 HD13 ' A' ' 33' ' ' ILE . 79.3 t -78.75 -42.89 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.674 0.273 . . . . 0.0 111.417 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.511 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 65.1 m95 -68.69 -30.28 68.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.369 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 40' ' ' GLU . 8.9 t -75.38 -51.21 13.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.168 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.786 HD23 HG23 ' A' ' 33' ' ' ILE . 10.7 tp -59.39 -32.72 70.41 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -38.5 91.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.915 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -60.72 -37.67 82.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.856 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -63.32 -37.85 88.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.248 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.831 HG21 ' CD1' ' A' ' 20' ' ' LEU . 21.4 mm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.757 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.801 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.669 0.271 . . . . 0.0 110.924 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -42.7 -51.96 5.1 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 179.748 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -47.42 -34.94 7.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.12 0.486 . . . . 0.0 110.389 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.674 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -83.15 -33.19 26.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.669 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.53 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.24 -37.17 79.54 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.363 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 19.5 tp10 -77.77 -31.8 52.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.82 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.491 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 11.2 mm-40 -52.23 -49.27 64.31 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.422 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.88 -42.0 61.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.055 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.876 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.9 mt -53.87 -48.24 62.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.826 0.346 . . . . 0.0 110.68 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -45.12 93.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.27 -35.12 73.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.445 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.681 ' HA ' HG21 ' A' ' 25' ' ' THR . 3.2 mp -68.5 -38.2 80.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.422 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 17' ' ' ILE . 22.0 t -74.56 -30.75 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.068 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -72.06 -24.58 61.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.036 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.584 ' O ' HG22 ' A' ' 25' ' ' THR . . . -134.23 147.87 50.76 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 112.012 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.34 69.26 0.51 Allowed Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.463 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.74 HG21 HD11 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -94.81 -97.65 0.16 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.211 0.204 . . . . 0.0 111.209 -179.609 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.978 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -178.71 126.21 0.1 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.79 0.328 . . . . 0.0 111.114 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.2 pt-20 -53.25 -34.19 56.15 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -50.4 -19.57 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.978 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 33.9 m-85 -82.26 -42.92 18.23 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.4 p90 -69.8 -24.09 63.43 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.947 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.35 -35.6 27.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.094 0.473 . . . . 0.0 110.142 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 32' ' ' LEU . 4.6 mt -71.15 -38.45 72.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.812 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.828 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -75.06 -43.4 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.549 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.69 -24.39 34.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.895 0.378 . . . . 0.0 110.861 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -81.83 -21.77 37.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.846 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.74 136.47 58.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.723 0.296 . . . . 0.0 110.96 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -77.91 -27.68 49.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.9 p -107.1 138.11 43.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.801 HG12 ' HA ' ' A' ' 9' ' ' LEU . 29.7 m -63.63 -40.39 88.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.406 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 44' ' ' THR . 0.2 OUTLIER -49.77 -28.22 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.374 . . . . 0.0 111.252 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.03 -37.87 31.71 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.007 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.828 HG13 HD13 ' A' ' 33' ' ' ILE . 79.4 t -75.33 -46.9 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.76 0.314 . . . . 0.0 111.249 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.584 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 63.3 m95 -63.37 -29.66 70.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.674 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 40' ' ' GLU . 8.4 p -73.4 -38.42 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.022 0.439 . . . . 0.0 110.215 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.43 HD22 ' CG2' ' A' ' 33' ' ' ILE . 1.9 mp -75.27 -29.0 60.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.643 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -71.14 -30.57 66.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.867 0.365 . . . . 0.0 110.333 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -76.41 -39.52 53.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.009 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -37.8 80.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.309 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.74 HD11 HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.634 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.768 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.585 0.231 . . . . 0.0 111.572 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.53 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 1.1 pmtt? -39.88 -51.86 2.42 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.642 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -36.58 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.15 0.5 . . . . 0.0 110.466 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.653 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -79.03 -30.2 44.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.444 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.53 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -59.92 -37.12 78.55 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.189 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 7.6 tp10 -77.42 -31.76 54.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.761 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 9.7 mm-40 -52.21 -48.92 64.83 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.187 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 46' ' ' LYS . . . -71.52 -44.35 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.775 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.879 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.2 mm -52.88 -44.09 48.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.624 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -49.0 72.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.77 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.14 -34.63 78.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.904 HD12 HG21 ' A' ' 49' ' ' ILE . 3.3 mp -67.54 -45.2 76.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.517 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 17' ' ' ILE . 20.8 t -69.38 -30.81 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.877 0.37 . . . . 0.0 111.503 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -74.09 -24.4 59.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.323 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.9 146.78 39.69 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.13 115.78 2.59 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.642 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.901 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.6 t -140.75 -155.27 0.57 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.197 0.522 . . . . 0.0 112.4 -178.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.788 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -139.98 107.42 5.56 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.757 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -34.8 -34.12 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.127 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.45 -24.92 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.788 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 37.6 m-85 -71.26 -54.8 9.66 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.6 p90 -60.42 -24.02 64.83 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.872 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -82.0 -34.77 29.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.132 0.491 . . . . 0.0 110.051 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.13 -44.55 62.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.803 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -69.67 -42.58 80.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.427 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.6 -23.62 51.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.961 0.41 . . . . 0.0 110.863 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -83.15 -21.05 33.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.646 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -58.58 145.22 40.2 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.808 0.337 . . . . 0.0 111.047 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -29.59 26.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.256 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.6 p -107.99 139.07 43.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.768 HG12 ' HA ' ' A' ' 9' ' ' LEU . 27.4 m -63.08 -36.97 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.333 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 44' ' ' THR . 6.8 mt-10 -51.92 -28.11 15.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.208 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.8 -34.24 43.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.91 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.803 HG13 HD13 ' A' ' 33' ' ' ILE . 94.1 t -79.05 -44.52 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.811 0.339 . . . . 0.0 111.244 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 67.5 m95 -65.97 -26.48 67.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.816 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 40' ' ' GLU . 14.2 p -78.52 -43.97 25.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.429 179.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.596 HD22 HG23 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -66.28 -43.93 84.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.745 179.764 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -61.6 -38.56 88.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.099 179.711 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -58.83 -37.8 77.25 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.71 -26.04 68.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.03 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.904 HG21 HD12 ' A' ' 20' ' ' LEU . 17.7 mm . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.522 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.581 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.539 0.209 . . . . 0.0 110.987 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.544 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 11.1 mttp -35.17 -51.69 0.56 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.062 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.45 -38.75 2.95 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.215 0.531 . . . . 0.0 110.599 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.748 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -79.79 -37.09 35.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.735 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.641 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -54.91 -36.32 65.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.432 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.419 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 5.8 tp10 -77.75 -31.8 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.835 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 7.2 mm-40 -53.36 -49.95 66.09 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.768 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.733 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -80.24 -43.34 21.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.872 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.861 ' O ' HG23 ' A' ' 21' ' ' VAL . 6.6 mt -54.1 -43.15 58.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.294 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -65.36 -49.71 68.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.428 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.46 -39.9 94.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.287 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.944 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.2 mp -65.76 -45.19 83.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.706 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 17' ' ' ILE . 33.9 t -68.59 -30.69 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.904 0.383 . . . . 0.0 111.184 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.05 -24.5 61.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.143 -179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.49 145.44 36.9 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.6 113.26 1.47 Allowed Glycine 0 C--N 1.336 0.551 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.904 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.944 HG21 ' HG ' ' A' ' 20' ' ' LEU . 11.9 t -137.09 -160.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.353 0.597 . . . . 0.0 112.185 -177.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.957 ' HB3' ' CZ ' ' A' ' 29' ' ' TYR . . . -125.91 103.52 7.81 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.613 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 5.4 pt-20 -34.68 -34.29 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.682 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -48.51 -23.54 1.01 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.957 ' CZ ' ' HB3' ' A' ' 26' ' ' ALA . 2.4 m-30 -74.45 -54.74 6.97 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.4 p90 -62.37 -24.08 67.16 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.398 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -82.25 -26.2 33.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 0.0 110.456 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -33.39 30.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.903 HG23 HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -77.34 -44.99 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.377 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.75 -24.74 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -81.46 -25.91 35.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.96 123.86 20.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.049 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -65.2 -29.27 70.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.6 p -97.74 140.27 32.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 9' ' ' LEU . 23.5 m -70.8 -34.97 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.273 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.574 ' O ' HG23 ' A' ' 44' ' ' THR . 3.7 mm-40 -53.52 -25.87 18.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.46 -35.46 36.95 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.495 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.748 HG11 ' C ' ' A' ' 12' ' ' ALA . 93.4 t -75.15 -48.62 31.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.321 -0.44 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.491 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 75.4 m95 -62.11 -30.48 71.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.436 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 40' ' ' GLU . 5.4 p -68.0 -51.67 44.53 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.903 HD22 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.12 -31.79 69.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.686 178.795 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 3.5 ttpt -61.18 -34.84 75.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.589 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -67.7 -29.89 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.621 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -53.19 38.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.527 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.47 ' O ' HD12 ' A' ' 49' ' ' ILE . 2.0 tp . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.843 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 37' ' ' LYS . 8.0 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.681 0.276 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.469 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -39.82 -52.03 2.37 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.038 -179.331 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -53.99 -35.29 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.666 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -84.71 -34.01 23.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.276 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.03 -36.97 80.95 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.425 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.452 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 23.8 tt0 -76.83 -33.5 57.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.518 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.481 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.0 mm-40 -50.27 -49.12 54.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.262 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.26 -47.17 52.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.918 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.6 mt -54.89 -42.54 63.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -48.27 77.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -69.87 -33.9 72.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.288 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.059 HD12 HG21 ' A' ' 49' ' ' ILE . 3.3 mp -67.17 -45.14 77.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.604 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 17' ' ' ILE . 24.2 t -69.08 -30.65 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.841 0.353 . . . . 0.0 111.374 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.71 -24.47 59.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.283 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.24 146.71 38.99 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.1 115.37 2.33 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.006 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.938 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.5 t -140.62 -157.59 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.351 0.596 . . . . 0.0 111.985 -177.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.878 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -134.18 104.01 6.01 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.074 -0.967 . . . . 0.0 109.776 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -34.79 -34.33 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.6 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -51.56 -23.17 3.85 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.878 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 35.8 m-85 -69.36 -54.77 12.81 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.512 ' HA ' ' CG1' ' A' ' 33' ' ' ILE . 2.5 p90 -66.5 -23.92 66.32 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.069 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -78.07 -23.49 48.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.041 0.448 . . . . 0.0 110.098 179.115 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.12 -41.97 13.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.325 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.788 HG23 HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -68.62 -43.94 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.809 -179.492 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.65 -23.31 16.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -100.5 0.09 38.9 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.15 76.05 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.704 ' HA ' HD11 ' A' ' 9' ' ' LEU . 9.1 mmmm 76.52 7.29 3.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.019 0.438 . . . . 0.0 110.858 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.4 p -137.0 139.65 41.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.188 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 40' ' ' GLU . 27.5 m -70.4 -48.3 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.595 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.565 ' O ' HG23 ' A' ' 44' ' ' THR . 2.7 mt-10 -58.46 -25.09 61.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.247 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.2 -42.71 18.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.423 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.763 HG13 HD13 ' A' ' 33' ' ' ILE . 69.8 t -72.35 -47.22 53.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.788 0.328 . . . . 0.0 111.238 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.578 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 57.8 m95 -61.28 -38.4 86.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.82 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 40' ' ' GLU . 12.9 p -63.82 -50.81 67.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.977 0.417 . . . . 0.0 110.155 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.788 HD22 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -55.67 -38.0 69.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.222 179.372 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -45.82 82.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.211 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -57.97 -31.39 66.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.112 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.27 -23.84 62.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.583 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.059 HG21 HD12 ' A' ' 20' ' ' LEU . 19.2 mm . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.682 0.277 . . . . 0.0 110.724 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.499 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -41.08 -51.91 3.29 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.752 -179.614 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -36.3 25.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.02 0.438 . . . . 0.0 110.625 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.684 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -85.45 -37.69 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.257 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.07 -36.92 75.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.433 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -77.36 -31.98 54.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.667 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.497 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 8.9 mm-40 -53.0 -49.58 65.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.637 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -76.02 -38.06 57.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.196 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.671 ' O ' HG22 ' A' ' 21' ' ' VAL . 13.4 mt -59.37 -49.96 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.685 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -61.41 -41.75 97.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.644 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 15' ' ' GLU . 12.7 mm-40 -72.16 -33.91 68.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.266 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.073 HD12 HG21 ' A' ' 49' ' ' ILE . 2.7 mp -63.64 -45.12 91.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.771 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -71.08 -30.89 42.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.966 0.412 . . . . 0.0 110.723 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.31 -24.57 66.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.896 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.48 ' O ' HG22 ' A' ' 25' ' ' THR . . . -133.7 151.16 51.56 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.86 0.362 . . . . 0.0 111.849 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.76 68.62 0.29 Allowed Glycine 0 C--O 1.237 0.296 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.56 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.701 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.7 t -106.03 -161.84 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.681 0.276 . . . . 0.0 110.693 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.574 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -108.02 152.31 24.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.742 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -77.66 -34.47 53.07 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.991 0.424 . . . . 0.0 111.832 -179.657 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -45.53 -30.51 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.482 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 27.2 m-85 -61.94 -54.58 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.2 p90 -60.76 -24.25 65.6 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.676 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -84.06 -35.38 23.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.04 0.448 . . . . 0.0 110.296 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -30.88 64.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.774 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -84.25 -45.17 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.69 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.24 -26.22 38.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.908 0.385 . . . . 0.0 110.861 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -78.85 -20.33 49.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.862 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.62 110.56 8.0 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.154 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 2.3 pttt -59.28 -21.25 59.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.891 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.8 p -95.08 139.63 31.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.43 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.4 m -73.75 -40.02 53.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.228 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.631 ' O ' HG22 ' A' ' 44' ' ' THR . 66.6 mt-10 -54.5 -26.76 33.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.197 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.509 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -77.24 -34.21 41.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.147 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.774 HG13 HD13 ' A' ' 33' ' ' ILE . 77.9 t -79.47 -43.53 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.748 0.308 . . . . 0.0 111.328 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.497 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 63.5 m95 -66.06 -33.76 76.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.946 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 40' ' ' GLU . 5.7 t -71.27 -49.24 45.03 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.99 0.424 . . . . 0.0 109.905 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.4 mm? -56.36 -34.06 66.29 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.794 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.49 -39.08 93.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.775 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.19 -34.76 70.7 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.887 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.38 -40.36 89.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.869 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.073 HG21 HD12 ' A' ' 20' ' ' LEU . 24.3 mm . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.729 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.637 0.256 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.454 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -38.76 -42.89 0.86 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.278 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.9 -43.96 63.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.242 0.544 . . . . 0.0 110.212 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.646 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -75.79 -30.31 59.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.065 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -57.85 -36.7 72.68 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.467 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.506 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 4.9 tp10 -78.68 -31.84 46.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.901 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.492 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 4.5 mm-40 -51.85 -49.3 63.14 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.418 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.406 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -74.79 -43.84 52.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.058 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.861 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.0 mt -54.73 -45.81 73.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.67 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -47.04 83.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.799 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.74 -36.54 80.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.365 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.915 ' HG ' HG21 ' A' ' 25' ' ' THR . 3.1 mp -66.78 -45.19 79.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.658 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 17' ' ' ILE . 22.4 t -67.69 -30.78 49.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.857 0.36 . . . . 0.0 111.436 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -24.49 59.1 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.47 146.67 40.32 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.33 113.57 1.55 Allowed Glycine 0 C--N 1.337 0.591 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.933 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.915 HG21 ' HG ' ' A' ' 20' ' ' LEU . 13.9 t -139.47 -155.13 0.56 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.189 0.519 . . . . 0.0 112.091 -178.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.888 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -135.1 102.12 5.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.777 178.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.8 pm0 -34.91 -34.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.696 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -49.97 -24.75 2.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.495 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.888 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 18.4 m-85 -69.98 -54.81 11.58 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.479 ' HA ' ' CG1' ' A' ' 33' ' ' ILE . 1.9 p90 -61.84 -25.59 67.61 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.968 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -80.84 -26.36 37.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.087 0.47 . . . . 0.0 110.059 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 mt -82.56 -41.15 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.798 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -68.63 -44.27 82.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.317 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.51 -23.27 62.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.327 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -94.11 -12.71 27.86 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.812 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.94 -24.68 9.82 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.43 16.36 10.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.382 . . . . 0.0 110.553 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.23 159.6 42.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.425 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 40' ' ' GLU . 34.0 m -88.82 -46.2 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.858 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 44' ' ' THR . 8.9 pt-20 -58.86 -24.17 61.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.733 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.37 -41.03 14.17 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.978 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.798 HG13 HD13 ' A' ' 33' ' ' ILE . 88.9 t -72.44 -48.33 48.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.737 0.303 . . . . 0.0 111.071 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.586 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 64.7 m95 -62.54 -30.52 71.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.636 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 40' ' ' GLU . 1.3 p -66.07 -50.36 64.4 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.784 HD22 HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -61.9 -29.87 70.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.721 178.739 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.418 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.86 -31.75 72.04 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.71 178.852 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -71.3 -35.59 71.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.474 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -63.23 -53.12 58.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.218 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.723 HG12 HD12 ' A' ' 20' ' ' LEU . 4.0 tp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.94 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.484 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.555 0.217 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.546 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -39.44 -52.23 2.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.528 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -44.9 -34.54 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.217 0.532 . . . . 0.0 110.361 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.723 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -82.19 -37.77 25.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.496 179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.667 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -55.24 -36.58 66.19 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.403 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.435 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 16.3 tt0 -78.38 -31.89 48.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.595 178.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.526 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 5.9 mm-40 -51.97 -49.61 62.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.794 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.63 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -76.91 -38.96 52.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.07 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.607 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.5 mt -57.38 -47.87 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.228 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -62.94 -39.9 96.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.78 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 6.4 mm-40 -72.48 -33.77 67.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.071 HD12 HG21 ' A' ' 49' ' ' ILE . 3.9 mp -62.28 -45.29 93.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.551 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -73.8 -31.02 30.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 0.0 110.998 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -67.41 -24.37 65.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.809 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 25' ' ' THR . . . -135.08 146.57 49.03 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 111.907 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.65 82.94 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.042 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.728 HG21 ' HA ' ' A' ' 20' ' ' LEU . 6.8 t -118.72 -143.1 0.36 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 122.454 0.301 . . . . 0.0 110.87 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.85 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -127.07 163.94 22.66 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 120.659 0.266 . . . . 0.0 110.678 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.496 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 4.0 pt-20 -85.3 -38.53 18.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.643 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -45.55 -29.37 1.15 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.55 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.85 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 31.6 m-85 -61.24 -51.63 68.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.793 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.517 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.7 p90 -65.59 -24.29 67.04 Favored 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.687 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HD3' ' CE1' ' A' ' 30' ' ' PHE . 8.2 mtpt -80.94 -27.93 35.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.119 0.485 . . . . 0.0 110.496 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.19 -42.37 19.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.059 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.675 ' HB ' HG13 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -69.23 -44.23 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.469 -179.65 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.68 -30.14 69.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.966 0.412 . . . . 0.0 110.631 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -72.82 -26.25 61.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.615 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.49 157.7 8.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.856 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -102.25 -23.83 13.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.0 p -107.73 137.68 45.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.859 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 9' ' ' LEU . 35.7 m -60.88 -37.2 76.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.332 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 44' ' ' THR . 5.9 mm-40 -53.87 -27.66 31.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.273 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.58 -39.26 41.79 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.753 . . . . 0.0 111.884 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.723 HG11 ' C ' ' A' ' 12' ' ' ALA . 96.5 t -76.45 -46.52 31.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.426 -0.387 . . . . 0.0 111.565 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 73.5 m95 -63.98 -24.43 67.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.025 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 40' ' ' GLU . 6.9 p -77.54 -52.62 8.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.161 0.505 . . . . 0.0 109.956 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.605 HD22 HG23 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -59.62 -45.05 93.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.536 179.555 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.491 ' HG2' ' HA ' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -58.63 -36.18 73.68 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.114 179.53 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.01 -31.61 70.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.167 0.508 . . . . 0.0 109.77 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -76.99 -23.8 52.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.593 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.071 HG21 HD12 ' A' ' 20' ' ' LEU . 32.3 mm . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.535 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.765 0.317 . . . . 0.0 110.755 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.588 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 6.2 mttt -35.4 -40.93 0.16 Allowed 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.709 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.26 -49.97 31.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.48 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.652 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -69.56 -27.69 65.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.904 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.798 ' HE3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -59.67 -36.1 75.77 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.273 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.478 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 18.0 tt0 -78.78 -31.98 46.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.589 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.533 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -51.44 -49.17 62.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.359 179.201 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.429 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -75.2 -47.27 29.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.936 179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.83 ' O ' HG23 ' A' ' 21' ' ' VAL . 28.9 mt -54.31 -43.89 63.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.25 -48.94 73.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.83 -36.35 82.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.335 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.055 HD12 HG21 ' A' ' 49' ' ' ILE . 2.7 mp -67.16 -45.25 77.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.783 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 17' ' ' ILE . 31.8 t -68.72 -30.75 48.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.841 0.353 . . . . 0.0 111.249 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.17 -24.52 60.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.302 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.39 146.61 38.6 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.65 115.1 2.03 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.824 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.932 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.2 t -141.23 -156.11 0.65 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.861 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -133.35 102.37 5.52 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.102 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.455 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -35.26 -34.06 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.982 0.801 . . . . 0.0 112.618 -179.11 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -22.98 1.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.861 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 9.9 m-85 -74.15 -54.63 7.36 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.9 p90 -62.66 -24.12 67.46 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.256 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -81.73 -23.63 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.987 0.422 . . . . 0.0 110.547 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.408 ' HA ' ' ND2' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -86.32 -29.41 23.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.199 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.862 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -83.17 -42.84 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.801 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.81 -23.63 19.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.724 0.297 . . . . 0.0 111.431 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' A' ' 32' ' ' LEU . 23.4 p30 -85.06 -24.0 28.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.407 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.14 116.9 3.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.843 0.354 . . . . 0.0 111.278 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -59.77 -31.17 69.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.536 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.65 143.62 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.54 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 9' ' ' LEU . 33.5 m -75.72 -41.5 40.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.362 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.425 ' N ' HG23 ' A' ' 39' ' ' VAL . 36.7 mt-10 -53.5 -24.69 13.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.316 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.423 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -75.23 -38.93 38.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.002 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.862 HG13 HD13 ' A' ' 33' ' ' ILE . 70.1 t -70.03 -43.64 79.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.824 0.345 . . . . 0.0 111.26 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.533 ' CZ2' ' HG2' ' A' ' 15' ' ' GLU . 70.0 m95 -65.17 -36.02 82.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.753 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -56.06 18.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.93 0.395 . . . . 0.0 110.419 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 41' ' ' GLY . 3.1 mm? -53.01 -37.7 61.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.326 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -61.54 -42.49 98.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.143 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -54.86 -34.07 62.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.984 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -71.3 -31.9 67.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.259 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.055 HG21 HD12 ' A' ' 20' ' ' LEU . 30.1 mm . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.03 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.633 0.254 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 11.2 mptt -35.83 -47.71 0.52 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.65 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -48.32 38.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.813 0.339 . . . . 0.0 110.479 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.666 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -68.33 -27.89 66.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.653 179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -60.72 -35.94 77.59 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.285 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.452 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 3.8 mt-10 -76.49 -33.36 58.66 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.519 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -51.18 -49.08 61.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.599 179.386 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.78 -42.39 61.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.9 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.6 mm -56.82 -48.74 80.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.777 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -60.94 -44.11 97.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.58 -33.88 67.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.442 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.061 HD12 HG21 ' A' ' 49' ' ' ILE . 3.4 mp -67.52 -40.48 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.36 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 17' ' ' ILE . 9.9 t -72.5 -30.77 35.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.112 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -24.47 61.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.155 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.517 ' O ' HG22 ' A' ' 25' ' ' THR . . . -131.52 149.71 52.42 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.948 0.404 . . . . 0.0 111.87 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.84 68.72 0.43 Allowed Glycine 0 CA--C 1.517 0.162 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.659 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.648 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.2 t -104.22 -162.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 122.416 0.287 . . . . 0.0 110.578 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.558 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -106.07 133.55 50.61 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 120.772 0.32 . . . . 0.0 111.376 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.505 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -59.14 -34.18 71.76 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.743 -179.839 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -43.87 -36.28 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.904 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.503 ' HB2' HD21 ' A' ' 20' ' ' LEU . 38.6 m-85 -57.1 -54.51 45.98 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.486 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.5 p90 -62.02 -24.2 66.91 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.733 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.62 -32.56 23.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.07 0.462 . . . . 0.0 110.423 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -29.85 45.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.127 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.866 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -83.12 -44.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.65 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.04 -23.62 55.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.92 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -82.08 -24.08 35.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.426 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -62.54 130.71 46.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.805 0.336 . . . . 0.0 110.97 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -77.35 -7.31 55.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.032 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.5 p -117.58 140.36 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 40' ' ' GLU . 35.1 m -68.36 -42.73 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.252 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 39' ' ' VAL . 3.7 mm-40 -54.11 -24.69 18.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -76.48 -40.77 26.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.067 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.866 HG13 HD13 ' A' ' 33' ' ' ILE . 79.0 t -70.68 -45.8 72.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.754 0.311 . . . . 0.0 111.278 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.519 ' CZ2' ' HG2' ' A' ' 15' ' ' GLU . 70.8 m95 -64.24 -36.2 83.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.801 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 40' ' ' GLU . 1.7 p -62.51 -56.15 20.77 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.98 0.419 . . . . 0.0 110.223 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 45' ' ' LEU . 3.2 mm? -57.5 -35.1 69.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.111 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -45.26 95.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.113 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -36.09 65.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.015 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -36.24 83.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.123 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.061 HG21 HD12 ' A' ' 20' ' ' LEU . 11.3 mm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.062 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 120.476 0.179 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.534 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -35.36 -49.58 0.52 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.841 -179.558 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -38.76 3.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.027 0.442 . . . . 0.0 110.755 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.651 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -80.66 -32.88 35.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.833 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.7 -36.78 77.22 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.382 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -77.22 -31.85 55.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.768 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.521 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.5 mm-40 -51.92 -49.15 63.66 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.336 179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.465 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.76 -42.35 61.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.078 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.914 ' O ' HG23 ' A' ' 21' ' ' VAL . 30.9 mt -56.45 -47.42 81.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.617 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -45.24 95.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.787 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.58 -35.41 70.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.29 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.081 HD12 HG21 ' A' ' 49' ' ' ILE . 4.5 mp -67.96 -36.44 80.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.31 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 17' ' ' ILE . 27.1 t -73.44 -30.6 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.89 0.376 . . . . 0.0 110.747 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.47 -24.72 61.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.983 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 25' ' ' THR . . . -137.71 146.46 43.78 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.94 0.4 . . . . 0.0 111.979 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.25 65.15 0.75 Allowed Glycine 0 C--O 1.227 -0.33 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.493 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.588 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.4 -89.85 0.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.415 0.15 . . . . 0.0 111.232 -179.762 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.954 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . 179.23 122.01 0.05 Allowed 'General case' 0 C--O 1.225 -0.203 0 CA-C-O 120.782 0.325 . . . . 0.0 111.083 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.49 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -48.79 -46.96 42.28 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.945 -179.363 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HE3' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -37.33 -39.96 0.32 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -179.008 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.954 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 32.8 m-85 -56.89 -51.97 66.98 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.1 p90 -65.31 -24.15 67.2 Favored 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 120.306 -0.557 . . . . 0.0 111.035 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.76 -33.71 24.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.059 0.456 . . . . 0.0 110.291 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.86 -35.86 64.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.772 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -77.21 -45.09 30.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.525 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.28 -28.72 59.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.993 0.425 . . . . 0.0 110.747 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -74.44 -26.11 59.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.69 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.01 138.97 58.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.902 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 13.05 19.16 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.11 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.8 p -134.4 139.02 45.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.348 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.12 -37.39 78.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.258 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 44' ' ' THR . 10.3 mt-10 -60.73 -25.47 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.74 -40.67 25.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.157 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.772 HG13 HD13 ' A' ' 33' ' ' ILE . 86.5 t -73.78 -47.39 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.718 0.294 . . . . 0.0 111.424 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 61.0 m95 -63.3 -29.72 70.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.695 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 40' ' ' GLU . 3.0 p -69.49 -55.52 9.99 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.022 0.439 . . . . 0.0 110.102 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.46 -36.88 67.05 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.16 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -39.82 92.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.039 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -58.96 -32.86 70.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.14 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -70.4 -32.96 70.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.2 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.081 HG21 HD12 ' A' ' 20' ' ' LEU . 17.6 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.955 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.862 0.363 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER 60.39 -179.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.441 ' H ' HG22 ' A' ' 2' ' ' THR . 1.3 m-85 -59.81 -61.14 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.23 171.25 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -99.73 117.78 34.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.018 0.437 . . . . 0.0 110.663 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.7 tp -90.21 137.98 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.33 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.73 121.4 36.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -165.63 151.08 9.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.401 0.619 . . . . 0.0 111.173 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.71 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -59.37 -30.78 68.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.078 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.52 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -35.52 -51.7 0.64 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.062 -179.664 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -37.99 4.84 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.052 0.453 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.656 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -80.86 -32.4 35.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.723 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.64 -36.86 77.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 18.5 tt0 -77.33 -32.35 55.18 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.632 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 6.1 mm-40 -51.74 -49.13 63.17 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.398 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.36 -44.12 59.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.01 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.879 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.1 mm -54.41 -43.81 64.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.525 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -63.73 -48.04 78.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -67.19 -36.26 81.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.069 HD12 HG21 ' A' ' 49' ' ' ILE . 3.4 mp -66.25 -45.21 81.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.527 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 17' ' ' ILE . 21.8 t -68.31 -30.82 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.869 0.366 . . . . 0.0 111.395 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.49 -24.39 60.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.299 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.91 146.03 36.89 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.89 114.45 1.82 Allowed Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.632 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.902 HG21 ' HG ' ' A' ' 20' ' ' LEU . 15.1 t -138.14 -159.35 0.95 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.164 0.507 . . . . 0.0 112.358 -177.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.865 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -133.63 105.07 6.65 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.254 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -34.73 -34.31 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.028 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -48.55 -25.68 1.83 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.637 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.865 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 29.7 m-85 -71.47 -54.84 9.27 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.4 p90 -60.76 -24.16 65.53 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.967 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.49 -32.53 28.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.084 0.469 . . . . 0.0 110.128 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.57 -40.31 61.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.937 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.773 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -73.36 -44.36 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.433 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.55 -25.87 60.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.887 0.375 . . . . 0.0 110.764 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -78.7 -24.1 45.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.807 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.91 136.91 58.22 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.85 0.357 . . . . 0.0 111.067 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -27.45 50.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.1 p -104.06 139.25 39.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.601 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 9' ' ' LEU . 35.9 m -66.14 -37.18 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.306 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.621 ' O ' HG22 ' A' ' 44' ' ' THR . 7.9 mt-10 -53.32 -27.17 21.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.139 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.28 -31.91 49.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.042 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.773 HG13 HD13 ' A' ' 33' ' ' ILE . 92.4 t -81.64 -43.11 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.772 0.32 . . . . 0.0 111.39 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.48 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 65.7 m95 -67.49 -29.14 68.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.01 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 40' ' ' GLU . 8.1 t -77.96 -47.44 18.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.991 0.424 . . . . 0.0 110.083 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.445 HD22 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.33 -38.17 82.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.961 179.173 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -65.22 -32.96 74.9 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.053 179.383 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 74.6 m-20 -62.21 -34.71 76.99 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.35 -28.56 66.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.067 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.069 HG21 HD12 ' A' ' 20' ' ' LEU . 19.9 mm -72.33 -27.84 27.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.6 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -78.14 -31.9 50.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.69 -48.13 6.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.476 ' HE1' HG23 ' A' ' 49' ' ' ILE . 0.3 OUTLIER 55.39 20.24 3.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.473 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.639 HG22 HG13 ' A' ' 54' ' ' VAL . 21.9 m 58.13 -83.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.538 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.639 HG13 HG22 ' A' ' 53' ' ' THR . 15.7 m -110.75 154.35 12.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.734 0.302 . . . . 0.0 110.719 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.61 155.06 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.801 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.868 0.366 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 m 59.78 30.18 19.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -154.97 78.28 1.04 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.8 144.94 41.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.599 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -83.73 116.63 22.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.076 0.465 . . . . 0.0 110.442 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.547 HG23 ' O ' ' A' ' 6' ' ' ILE . 9.4 tp -82.59 116.9 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.325 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.44 86.53 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.759 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -149.85 171.79 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.948 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.812 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -86.85 -31.06 21.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.014 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 3.9 mmtp -39.77 -51.96 2.34 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.535 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -48.13 -37.36 15.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.181 0.515 . . . . 0.0 110.461 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.64 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -80.37 -31.54 37.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.678 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -61.2 -36.68 80.53 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.322 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' HG2' ' HD2' ' A' ' 13' ' ' LYS . 7.0 mm-40 -76.06 -31.8 58.97 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.648 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.482 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 8.6 mm-40 -53.15 -49.26 66.96 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.568 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 46' ' ' LYS . . . -73.31 -42.36 62.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.964 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.8 mt -55.9 -46.9 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.592 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -51.41 69.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.179 0.514 . . . . 0.0 110.412 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.92 -39.23 88.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.425 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.998 HD12 HG21 ' A' ' 49' ' ' ILE . 3.3 mp -60.41 -25.57 66.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.405 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 17' ' ' ILE . 0.5 OUTLIER -81.51 -30.95 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.016 0.436 . . . . 0.0 110.253 179.296 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -24.64 66.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.408 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.64 ' O ' HG22 ' A' ' 25' ' ' THR . . . -136.32 151.99 50.19 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.571 0.224 . . . . 0.0 111.567 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.63 -43.78 8.08 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.312 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.752 HG21 ' HG ' ' A' ' 20' ' ' LEU . 15.0 t 29.93 -148.29 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 178.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 29' ' ' TYR . . . -154.93 131.59 10.63 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -49.35 -34.13 15.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.83 -179.491 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -44.97 -27.48 0.55 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.386 0.514 . . . . 0.0 112.386 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.472 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 26.0 m-85 -72.73 -54.82 7.9 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.1 p90 -60.22 -23.93 64.43 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.14 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.29 -32.45 26.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.035 0.445 . . . . 0.0 110.393 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -29.9 59.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.992 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.784 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -86.64 -44.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.791 -179.544 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.4 -24.64 31.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.998 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -80.41 -24.02 39.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.763 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.14 132.06 52.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.874 0.369 . . . . 0.0 110.925 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -24.24 58.09 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.344 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.4 p -105.76 138.73 41.45 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.736 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.812 HG12 ' HA ' ' A' ' 9' ' ' LEU . 29.6 m -66.24 -38.02 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.3 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.532 ' O ' HG23 ' A' ' 44' ' ' THR . 2.1 mp0 -53.01 -27.84 21.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.268 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.79 -34.67 42.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.004 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.784 HG13 HD13 ' A' ' 33' ' ' ILE . 81.5 t -78.86 -44.54 25.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.783 0.325 . . . . 0.0 111.266 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.576 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 61.5 m95 -65.28 -29.16 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.766 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 40' ' ' GLU . 14.7 p -75.59 -46.8 29.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.512 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD2' HG23 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -63.58 -43.61 96.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.092 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.545 ' HG2' ' HA ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -62.11 -33.18 73.97 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.114 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -62.91 -35.78 81.19 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -28.91 69.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.043 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.998 HG21 HD12 ' A' ' 20' ' ' LEU . 38.3 mm -75.97 -37.37 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.424 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -32.01 71.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.41 HG22 ' OG1' ' A' ' 53' ' ' THR . 0.8 OUTLIER -98.39 -47.91 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.649 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 52.79 22.49 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.504 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.618 HG22 HG23 ' A' ' 54' ' ' VAL . 18.6 m -73.66 -83.64 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.618 HG23 HG22 ' A' ' 53' ' ' THR . 47.3 t -140.78 -68.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 111.159 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.1 m -145.59 165.1 29.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.995 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.519 ' O ' HG23 ' A' ' 1' ' ' THR . 10.6 t . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.847 0.356 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.4 m -138.67 122.99 18.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.33 136.22 50.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.19 140.9 36.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -58.98 100.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.751 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.622 HG23 ' O ' ' A' ' 6' ' ' ILE . 8.3 tp -70.37 70.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.14 140.15 49.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.684 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -167.12 163.03 15.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.012 0.435 . . . . 0.0 111.289 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.551 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -75.64 -30.49 59.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.028 179.821 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.537 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 12.4 mmtm -35.27 -47.9 0.43 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.319 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -46.11 -34.33 4.12 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.122 0.487 . . . . 0.0 110.728 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.682 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -83.55 -32.44 25.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.633 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.537 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.19 -37.1 81.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.199 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 5.8 tp10 -77.26 -31.86 55.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.79 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.486 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 6.6 mm-40 -52.15 -49.18 64.26 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.298 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.491 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.59 -41.59 62.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.097 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.7 mt -55.79 -48.85 77.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.658 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -44.73 96.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.769 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.98 -34.31 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.445 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.143 HD12 HG21 ' A' ' 49' ' ' ILE . 3.4 mp -67.5 -43.11 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.276 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 17' ' ' ILE . 12.2 t -69.05 -30.67 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -24.43 60.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.338 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.512 ' O ' HG22 ' A' ' 25' ' ' THR . . . -130.92 150.19 52.19 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.974 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.99 66.24 0.48 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.701 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.643 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.2 t -102.14 -163.44 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 122.702 0.401 . . . . 0.0 110.669 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.703 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -101.97 140.28 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.686 0.279 . . . . 0.0 110.987 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 6.7 mm-40 -70.28 -34.35 72.68 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.516 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -48.4 -29.04 3.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.649 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.703 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 20.3 m-85 -61.78 -54.47 41.96 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.527 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.5 p90 -61.53 -24.36 66.57 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.593 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -86.27 -30.66 22.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.064 0.459 . . . . 0.0 110.402 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 mt -78.93 -29.06 43.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.804 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.805 HD13 HG13 ' A' ' 42' ' ' VAL . 1.2 pp -87.59 -41.24 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.542 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.48 -23.79 17.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.677 0.275 . . . . 0.0 111.467 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -87.04 -18.15 31.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.376 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.44 121.46 12.16 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.73 0.3 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -29.43 70.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.849 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.5 p -98.32 140.17 32.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 9' ' ' LEU . 35.4 m -71.01 -40.31 75.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.299 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 44' ' ' THR . 0.4 OUTLIER -54.25 -25.28 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.137 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.83 -37.79 32.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.832 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.805 HG13 HD13 ' A' ' 33' ' ' ILE . 78.9 t -74.88 -47.06 38.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.797 0.332 . . . . 0.0 111.176 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.501 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 64.5 m95 -63.17 -29.17 70.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.581 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 40' ' ' GLU . 3.0 p -70.65 -56.0 7.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.016 0.436 . . . . 0.0 110.2 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.589 HD22 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -55.14 -34.77 64.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.064 179.246 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -60.75 -44.5 96.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.046 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.61 -34.7 65.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.075 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.81 -36.99 81.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.217 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.143 HG21 HD12 ' A' ' 20' ' ' LEU . 26.6 mm -59.05 -32.09 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.772 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.53 -24.32 24.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.332 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -87.94 -37.27 16.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.305 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -84.79 1.18 47.94 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.178 -179.737 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -79.25 160.16 26.98 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.939 0.399 . . . . 0.0 110.655 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.8 m -124.96 151.08 30.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.068 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -80.96 157.3 25.59 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.822 179.909 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.705 0.288 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 2' ' ' THR . 19.7 m -95.71 38.83 1.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 0.0 111.023 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -117.21 -38.83 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 108.97 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.523 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -59.81 -45.01 93.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER 43.51 32.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.982 179.735 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 7' ' ' LEU . 14.0 mt -54.77 113.28 1.26 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.029 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -144.63 160.93 40.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.725 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -86.36 -31.18 21.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.881 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -40.17 -51.74 2.64 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.497 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -45.48 -33.68 2.8 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.159 0.504 . . . . 0.0 110.46 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.67 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -84.27 -34.94 23.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.647 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -59.62 -36.88 77.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.333 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 37.9 tp10 -77.98 -31.79 50.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.735 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.503 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.4 mm-40 -52.05 -49.03 64.26 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.376 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.6 -42.85 60.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.027 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.903 ' O ' HG23 ' A' ' 21' ' ' VAL . 8.9 mt -55.03 -48.38 75.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.702 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.49 -43.32 99.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -73.17 -34.11 65.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.481 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.06 HD12 HG21 ' A' ' 49' ' ' ILE . 2.9 mp -67.16 -38.71 85.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 111.253 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 17' ' ' ILE . 11.4 t -74.42 -30.84 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.063 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -24.51 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.99 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.485 ' O ' HG22 ' A' ' 25' ' ' THR . . . -132.12 150.59 52.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.824 0.345 . . . . 0.0 111.855 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.32 71.0 0.34 Allowed Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.442 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.715 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.6 t -107.08 -164.34 0.98 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.43 0.292 . . . . 0.0 110.885 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.558 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -103.04 143.0 33.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.709 0.29 . . . . 0.0 111.298 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.507 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 1.6 mm-40 -70.17 -35.13 73.77 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.563 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -46.25 -31.44 2.5 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.933 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 18.7 m-85 -61.82 -54.53 40.95 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.542 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.3 p90 -61.36 -24.07 66.22 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.779 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.48 -40.41 19.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.155 0.503 . . . . 0.0 110.162 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -36.38 80.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.799 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -77.28 -45.06 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.643 -179.66 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.3 -25.13 47.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.95 0.405 . . . . 0.0 110.715 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -80.12 -18.63 49.32 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.776 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.04 141.78 58.04 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.761 0.315 . . . . 0.0 110.917 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.16 -28.91 29.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.782 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.2 p -103.14 140.07 37.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.704 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' ' 9' ' ' LEU . 30.6 m -65.84 -38.68 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.47 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.53 ' O ' HG23 ' A' ' 44' ' ' THR . 4.1 mt-10 -52.28 -27.25 14.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.231 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.81 -38.99 29.91 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.885 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.799 HG13 HD13 ' A' ' 33' ' ' ILE . 76.9 t -73.95 -46.89 44.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.793 0.33 . . . . 0.0 111.251 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.514 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 66.4 m95 -63.54 -29.56 70.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.739 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 40' ' ' GLU . 3.0 p -70.29 -55.86 8.17 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.988 0.423 . . . . 0.0 110.223 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 45' ' ' LEU . 2.0 mm? -55.61 -35.91 66.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.068 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -41.55 89.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.971 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -58.74 -34.04 70.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.953 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.15 -24.0 64.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.439 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.06 HG21 HD12 ' A' ' 20' ' ' LEU . 21.6 mm -75.03 -34.56 32.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.897 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.78 -31.79 59.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.214 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.41 -47.96 5.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.496 ' HE1' ' HG1' ' A' ' 25' ' ' THR . 0.1 OUTLIER 57.91 19.66 6.0 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.268 179.721 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.556 HG22 ' N ' ' A' ' 54' ' ' VAL . 0.9 OUTLIER 66.77 -66.99 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.78 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.556 ' N ' HG22 ' A' ' 53' ' ' THR . 29.3 m -54.15 172.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.987 0.423 . . . . 0.0 110.883 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.3 m -127.83 -45.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.675 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.599 -179.599 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.835 0.35 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.4 m -91.12 159.8 15.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.16 159.79 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -59.86 -174.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.567 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -89.3 -38.46 14.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.734 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.7 tp -72.43 163.34 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.265 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt 55.43 37.65 29.18 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.058 0.456 . . . . 0.0 110.621 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -148.02 16.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.31 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.7 HD21 ' N ' ' A' ' 38' ' ' THR . 0.9 OUTLIER -72.03 -35.99 69.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.94 -179.734 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.537 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -51.98 -51.67 55.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.958 0.409 . . . . 0.0 110.048 179.046 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -50.9 -36.46 38.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.149 0.499 . . . . 0.0 110.199 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.679 ' HB2' ' CD1' ' A' ' 43' ' ' TRP . . . -81.32 -30.89 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.854 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.549 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.82 -37.32 81.61 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.541 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 9.4 pt-20 -77.93 -32.05 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.734 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 7.3 mm-40 -50.76 -49.06 58.94 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.27 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.489 ' O ' HD13 ' A' ' 20' ' ' LEU . . . -73.01 -42.79 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.982 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.899 ' O ' HG23 ' A' ' 21' ' ' VAL . 17.3 mt -55.4 -49.46 72.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.988 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -47.01 88.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.22 -35.35 79.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.249 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.062 HD12 HG21 ' A' ' 49' ' ' ILE . 3.7 mp -64.15 -45.13 89.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.444 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 17' ' ' ILE . 2.3 t -68.35 -30.79 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.934 0.397 . . . . 0.0 111.159 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.45 -24.54 62.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.25 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.2 146.07 36.44 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.89 114.07 1.42 Allowed Glycine 0 C--N 1.338 0.673 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.911 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.1 t -139.58 -158.11 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.255 0.55 . . . . 0.0 112.325 -178.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.863 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -136.36 106.02 6.17 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.263 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.4 mm-40 -34.85 -34.15 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.611 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -51.06 -24.1 3.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.912 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.863 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 35.2 m-85 -70.7 -54.78 10.5 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 27' ' ' GLU . 1.9 p90 -61.38 -24.16 66.29 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.757 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -30.59 33.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.116 0.484 . . . . 0.0 110.068 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.11 -44.59 37.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.855 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.724 HD13 HG13 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -68.27 -45.46 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.413 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.0 -27.26 61.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.01 0.433 . . . . 0.0 110.638 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -75.66 -23.84 56.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.633 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.76 -176.47 0.01 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.987 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.547 ' HA ' HD11 ' A' ' 9' ' ' LEU . 1.1 mptt -139.22 21.36 2.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.977 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.7 ' N ' HD21 ' A' ' 9' ' ' LEU . 39.3 p -149.79 139.61 21.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.652 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 m -60.47 -37.94 76.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.178 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.547 ' O ' HG22 ' A' ' 44' ' ' THR . 5.7 mm-40 -64.08 -25.65 68.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.365 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.503 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -76.18 -42.32 24.22 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.427 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.724 HG13 HD13 ' A' ' 33' ' ' ILE . 76.7 t -79.74 -46.3 22.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.786 0.327 . . . . 0.0 111.312 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.679 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 55.2 m95 -62.93 -30.4 71.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.301 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 40' ' ' GLU . 11.7 t -75.63 -48.56 21.66 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.535 HD22 ' CG2' ' A' ' 33' ' ' ILE . 3.0 mp -57.24 -35.6 69.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.203 0.525 . . . . 0.0 109.63 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -62.77 -39.55 94.54 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.929 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -59.47 -34.34 72.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.04 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.94 -32.51 73.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.285 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.062 HG21 HD12 ' A' ' 20' ' ' LEU . 21.0 mm -70.45 -27.89 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.779 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -34.47 58.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.426 HG22 ' OG1' ' A' ' 53' ' ' THR . 1.1 m -91.35 -48.14 7.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.011 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 25' ' ' THR . 0.2 OUTLIER 51.89 23.04 1.95 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.496 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.426 ' OG1' HG22 ' A' ' 51' ' ' THR . 2.6 m -55.87 -32.15 63.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.565 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.4 t -63.64 -66.62 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.933 0.397 . . . . 0.0 111.24 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.61 172.65 7.06 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.896 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.784 0.326 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.03 165.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 58.86 44.22 17.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.62 7.07 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.462 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mp 44.07 48.3 7.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.875 0.369 . . . . 0.0 111.888 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.441 HG23 ' O ' ' A' ' 6' ' ' ILE . 6.0 tp -59.23 123.58 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mt -87.18 120.32 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -157.0 162.85 39.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.001 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.688 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -79.8 -31.0 40.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.99 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.485 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -37.5 -51.56 1.15 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.819 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.36 -36.08 3.99 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.137 0.494 . . . . 0.0 110.679 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.659 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -82.37 -33.78 28.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.656 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.598 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -61.16 -36.45 79.84 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 2.2 mm-40 -75.66 -31.85 59.94 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.595 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 9.3 mm-40 -53.24 -49.25 67.24 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.587 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.39 -45.23 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.079 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.86 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.6 mt -54.97 -43.61 69.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.864 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -63.68 -47.71 80.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HG3' ' CG ' ' A' ' 46' ' ' LYS . 19.0 mm-40 -68.98 -37.05 78.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.359 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.996 HD12 HG21 ' A' ' 49' ' ' ILE . 3.4 mp -64.74 -45.01 88.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.62 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 17' ' ' ILE . 24.8 t -67.79 -30.86 49.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.982 0.42 . . . . 0.0 111.274 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.4 -24.41 61.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.315 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.61 145.9 35.58 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.96 112.97 1.22 Allowed Glycine 0 C--N 1.336 0.56 0 C-N-CA 120.877 -0.677 . . . . 0.0 111.644 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.888 HG21 ' HG ' ' A' ' 20' ' ' LEU . 15.3 t -135.84 -158.16 0.85 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.172 0.511 . . . . 0.0 112.223 -177.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.891 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -134.6 106.62 7.07 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.776 178.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 3.7 mp0 -34.63 -34.34 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.371 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -49.93 -24.15 2.37 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.891 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 36.5 m-85 -73.48 -54.8 7.39 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 27' ' ' GLU . 1.9 p90 -62.52 -23.94 67.23 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.2 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -81.54 -34.42 31.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.09 0.472 . . . . 0.0 110.185 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -35.77 69.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.827 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.868 HG23 HD22 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -78.65 -44.86 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.556 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.09 -25.66 46.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.78 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -79.19 -23.59 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.756 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.86 133.0 54.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.828 0.347 . . . . 0.0 111.031 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.16 -25.91 58.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.668 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.6 p -104.29 138.82 40.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.869 0.366 . . . . 0.0 110.791 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.688 HG12 ' HA ' ' A' ' 9' ' ' LEU . 28.2 m -66.14 -40.27 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.437 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 44' ' ' THR . 1.2 mt-10 -51.53 -26.63 8.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.179 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.73 -37.3 30.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.799 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.761 HG13 HD13 ' A' ' 33' ' ' ILE . 71.0 t -73.67 -47.04 45.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.745 0.307 . . . . 0.0 111.149 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.496 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 66.1 m95 -62.55 -35.37 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.593 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 40' ' ' GLU . 8.3 p -64.4 -54.92 25.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.023 0.439 . . . . 0.0 110.24 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.868 HD22 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -54.1 -37.88 64.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.127 179.262 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.4 ' CG ' ' HG3' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -55.44 -46.06 76.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.121 179.25 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -56.71 -33.9 66.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.863 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.66 -23.8 63.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.512 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.996 HG21 HD12 ' A' ' 20' ' ' LEU . 21.5 mm -75.97 -28.74 19.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.735 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -78.47 -36.16 45.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.13 -47.89 7.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.789 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.494 ' HE1' HG23 ' A' ' 49' ' ' ILE . 0.6 OUTLIER 62.95 15.74 8.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.472 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.42 ' CG2' ' N ' ' A' ' 54' ' ' VAL . 2.3 m 57.86 162.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.42 ' N ' ' CG2' ' A' ' 53' ' ' THR . 0.0 OUTLIER -157.55 -54.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.066 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 m -160.03 -45.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.23 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.253 1.289 0 CA-C-O 117.979 -1.01 . . . . 0.0 111.01 179.718 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.864 0.364 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.2 m -117.09 29.49 7.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -72.14 -170.3 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.714 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -43.74 164.41 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.398 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -58.88 85.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 -179.789 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.607 HG23 ' O ' ' A' ' 6' ' ' ILE . 7.7 tp -72.51 69.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.981 0.419 . . . . 0.0 110.811 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 pp -86.73 113.16 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.197 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -132.62 146.56 51.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.585 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.516 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -78.36 -31.56 48.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.106 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -45.79 -52.19 11.56 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.079 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -50.6 -34.04 24.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.132 0.491 . . . . 0.0 110.278 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.646 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -81.9 -31.28 31.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.654 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.99 -36.96 78.3 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.373 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 20.9 pt-20 -78.52 -31.95 47.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.834 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.514 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.0 mm-40 -51.24 -49.26 61.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.322 179.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -74.26 -42.27 59.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.074 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.905 ' O ' HG23 ' A' ' 21' ' ' VAL . 19.3 mt -56.3 -48.52 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.684 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -61.53 -43.09 99.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -73.7 -33.85 64.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.529 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.996 HD12 HG21 ' A' ' 49' ' ' ILE . 3.2 mp -67.51 -37.12 82.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.209 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 17' ' ' ILE . 11.5 t -75.77 -30.72 21.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.017 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.04 -24.37 61.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.943 -0.572 . . . . 0.0 112.053 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 25' ' ' THR . . . -130.89 150.74 51.91 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.858 0.361 . . . . 0.0 111.75 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.6 69.46 0.73 Allowed Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.645 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.3 t -101.78 -143.0 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 122.274 0.23 . . . . 0.0 110.446 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.657 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -131.96 131.4 42.57 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 111.873 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.6 pt-20 -54.18 -33.95 59.32 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.551 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -48.11 -20.85 0.39 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.479 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.657 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 28.8 m-85 -79.08 -46.79 17.36 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.515 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.3 p90 -66.97 -24.26 66.04 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.289 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -32.48 22.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 110.459 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.91 -30.75 62.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.653 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.846 HG23 HD22 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -82.73 -45.01 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.722 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.59 -23.56 41.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 110.891 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -83.13 -21.71 33.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.49 145.41 39.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.702 0.287 . . . . 0.0 110.971 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.7 19.26 11.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.083 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -152.06 136.94 17.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.681 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 9' ' ' LEU . 18.4 m -61.32 -44.77 99.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.593 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.575 ' O ' HG23 ' A' ' 44' ' ' THR . 2.0 mt-10 -51.27 -27.6 9.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.296 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.93 -41.26 23.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.001 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.81 HG13 HD13 ' A' ' 33' ' ' ILE . 76.1 t -72.74 -48.03 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.716 0.294 . . . . 0.0 111.315 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 64.5 m95 -61.36 -33.2 73.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 40' ' ' GLU . 6.6 p -67.01 -54.74 18.79 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.007 0.432 . . . . 0.0 110.188 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.846 HD22 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -52.77 -35.14 55.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.257 179.39 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HA ' HG12 ' A' ' 49' ' ' ILE . 3.4 ttpt -61.42 -45.18 95.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.214 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -33.5 62.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.256 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -69.25 -35.89 76.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.182 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.996 HG21 HD12 ' A' ' 20' ' ' LEU . 19.6 mm -60.38 -31.82 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.73 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -85.79 -26.34 25.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.122 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -85.84 -39.26 17.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.956 0.408 . . . . 0.0 111.207 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.547 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -85.93 2.98 43.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.029 0.442 . . . . 0.0 111.162 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -57.8 -171.15 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.45 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.479 ' N ' HG23 ' A' ' 53' ' ' THR . 27.8 m -110.69 164.51 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.6 m -141.75 120.88 12.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.748 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.322 -0.846 . . . . 0.0 110.944 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.946 0.403 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.74 120.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -111.7 92.12 3.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -57.43 130.68 47.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.852 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -97.57 -16.62 19.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.59 179.722 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.762 HD12 ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -43.74 129.53 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 121.012 0.434 . . . . 0.0 111.94 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.762 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.3 mp -94.15 -154.96 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.129 179.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -147.24 152.78 38.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.047 0.451 . . . . 0.0 111.255 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.44 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -86.86 -30.82 21.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.355 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.52 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -35.61 -51.83 0.66 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.327 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -47.27 -37.44 10.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.131 0.491 . . . . 0.0 110.694 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.632 ' HB2' ' CD1' ' A' ' 43' ' ' TRP . . . -82.18 -32.31 30.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.129 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.52 -37.11 77.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 10.9 pt-20 -78.06 -32.19 50.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.776 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 4.7 mm-40 -50.48 -49.17 56.07 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.242 178.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 -46.42 49.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.902 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.874 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.5 mt -52.5 -44.13 43.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -48.77 71.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.071 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.45 -37.58 83.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.464 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.918 ' HG ' HG21 ' A' ' 25' ' ' THR . 3.4 mp -64.26 -45.19 89.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.616 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 17' ' ' ILE . 26.3 t -67.0 -30.78 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.874 0.369 . . . . 0.0 111.288 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -24.55 60.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.1 146.31 38.72 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.68 112.86 1.15 Allowed Glycine 0 C--N 1.335 0.513 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.784 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.918 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.8 t -138.83 -158.95 0.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.268 0.556 . . . . 0.0 112.056 -178.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.9 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -131.63 100.69 5.21 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.901 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.9 pt-20 -34.84 -34.14 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.596 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -48.87 -24.55 1.5 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.455 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.9 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 17.4 m-85 -71.47 -54.73 9.62 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.8 p90 -61.48 -24.64 66.72 Favored 'General case' 0 N--CA 1.461 0.113 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.995 -179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -28.75 32.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.05 0.452 . . . . 0.0 110.046 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.82 -39.97 29.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.855 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.723 HD13 HG13 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -70.35 -44.97 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.366 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.87 -23.23 42.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.373 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -95.95 -9.56 30.89 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.915 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.63 -26.4 32.66 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 67.23 15.94 10.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.771 0.319 . . . . 0.0 110.649 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.91 145.25 32.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.47 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 40' ' ' GLU . 35.4 m -75.75 -48.29 30.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.77 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 44' ' ' THR . 16.7 mt-10 -59.19 -25.97 64.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 111.431 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.49 -39.4 25.98 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.35 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.723 HG13 HD13 ' A' ' 33' ' ' ILE . 89.9 t -74.42 -46.78 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.821 0.344 . . . . 0.0 111.497 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.632 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 58.4 m95 -62.46 -37.3 85.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.689 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 40' ' ' GLU . 16.4 p -64.99 -53.73 41.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.946 0.403 . . . . 0.0 110.258 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.479 HD23 HG23 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -57.55 -33.16 67.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.367 179.56 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -60.96 -40.88 95.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.324 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.84 -33.81 76.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.376 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.69 -40.49 97.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.582 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.84 HG21 HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -75.79 -27.48 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.477 179.73 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -66.0 -30.59 71.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.855 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.2 -47.93 4.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.378 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.571 ' HE1' HG23 ' A' ' 49' ' ' ILE . 0.5 OUTLIER 62.55 16.9 9.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.147 -179.623 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.549 ' O ' HG13 ' A' ' 54' ' ' VAL . 2.5 m -80.07 116.05 19.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.616 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 53' ' ' THR . 5.2 m -159.3 172.45 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.984 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.3 m -109.07 117.41 34.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.96 0.41 . . . . 0.0 110.728 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.711 -179.875 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.46 0.171 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.593 HG22 HD21 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -161.81 83.53 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.631 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -102.94 -67.03 0.9 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.807 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -100.59 95.63 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.593 HD21 HG22 ' A' ' 2' ' ' THR . 0.1 OUTLIER -60.02 97.08 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.009 -179.793 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.601 HG23 ' O ' ' A' ' 6' ' ' ILE . 8.3 tp -60.99 107.02 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.776 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.45 97.35 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.254 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.51 12.11 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.161 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.696 HD21 ' C ' ' A' ' 37' ' ' LYS . 3.3 mt -87.15 -30.73 20.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 21.9 mmtt -37.71 -51.93 1.25 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.728 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -47.43 -35.3 8.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.182 0.515 . . . . 0.0 110.437 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.667 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -82.65 -33.34 27.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.723 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.586 ' HE3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -60.74 -36.96 80.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.461 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.412 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 4.0 tp10 -77.5 -31.77 53.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.751 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.514 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 12.7 mm-40 -52.64 -49.17 65.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.419 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.41 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -73.99 -41.85 61.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.905 ' O ' HG23 ' A' ' 21' ' ' VAL . 9.9 mt -56.71 -48.99 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -61.68 -40.36 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' CG ' ' A' ' 46' ' ' LYS . 23.4 mm-40 -75.28 -33.93 61.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.485 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.089 HD12 HG21 ' A' ' 49' ' ' ILE . 1.9 mp -66.99 -39.57 87.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 17' ' ' ILE . 4.0 t -74.85 -30.76 24.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.027 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.33 -24.49 63.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.025 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' ' 25' ' ' THR . . . -130.72 150.52 51.86 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.737 0.304 . . . . 0.0 111.795 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.66 67.67 0.28 Allowed Glycine 0 CA--C 1.518 0.223 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.704 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.744 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.6 t -107.14 -175.58 2.83 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 122.532 0.333 . . . . 0.0 110.835 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.468 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -89.84 161.45 15.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.372 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 1.5 pm0 -85.31 -33.96 21.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.969 0.414 . . . . 0.0 111.551 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -42.83 -35.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.909 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.502 ' CD2' HD12 ' A' ' 49' ' ' ILE . 36.0 m-85 -55.52 -54.62 41.69 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.49 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.5 p90 -65.07 -24.02 67.34 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.995 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 2.1 mtmp? -83.83 -33.13 24.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.01 0.433 . . . . 0.0 110.473 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mt -78.47 -32.53 48.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.124 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.778 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -79.87 -46.26 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.638 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.44 -25.9 27.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.881 0.372 . . . . 0.0 110.696 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -77.89 -28.59 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.562 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.01 133.62 56.27 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.944 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.696 ' C ' HD21 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -86.12 -7.31 58.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.924 179.568 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.5 p -110.85 137.85 47.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.817 0.341 . . . . 0.0 110.377 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 40' ' ' GLU . 27.4 m -67.37 -43.41 87.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.34 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 44' ' ' THR . 1.1 pt-20 -55.03 -24.24 23.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.412 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -76.84 -43.36 18.06 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.216 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.778 HG13 HD13 ' A' ' 33' ' ' ILE . 73.6 t -71.48 -45.88 66.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.631 0.253 . . . . 0.0 111.426 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.514 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 62.5 m95 -63.78 -33.25 75.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.861 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 40' ' ' GLU . 3.1 p -66.28 -55.82 14.21 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.95 0.405 . . . . 0.0 110.232 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 45' ' ' LEU . 3.0 mm? -53.86 -35.54 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.081 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' CG ' ' HG3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -58.62 -42.16 87.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.031 179.087 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -59.14 -33.43 70.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.079 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -68.96 -24.89 64.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.644 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.089 HG21 HD12 ' A' ' 20' ' ' LEU . 12.0 mm -75.32 -36.38 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.041 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -74.01 -32.57 63.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.319 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.8 -47.91 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.891 0.377 . . . . 0.0 110.774 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.454 ' CE1' ' OG1' ' A' ' 25' ' ' THR . 0.1 OUTLIER 57.44 19.2 5.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.502 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.622 HG22 ' CG2' ' A' ' 54' ' ' VAL . 23.7 m 57.89 -84.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.739 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.622 ' CG2' HG22 ' A' ' 53' ' ' THR . 1.5 t -100.6 170.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.97 0.414 . . . . 0.0 110.743 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.529 ' H ' HG12 ' A' ' 54' ' ' VAL . 3.0 m -129.05 165.11 21.83 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.581 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.951 -179.843 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.9 m -101.92 -30.39 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.63 -46.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -112.11 118.77 36.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.041 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.7 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -59.94 98.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.634 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 6' ' ' ILE . 7.8 tp -62.73 110.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.341 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.7 HD23 ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -127.82 133.78 49.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.518 179.733 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.53 -169.6 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.091 0.472 . . . . 0.0 111.31 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -43.07 -31.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.415 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 26.3 mmtp -37.74 -51.78 1.26 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.907 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -37.55 12.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.004 0.431 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.704 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -84.5 -36.97 21.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.049 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -60.05 -36.68 77.84 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.301 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -76.32 -31.87 58.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.934 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.485 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 7.3 mm-40 -53.51 -49.61 67.2 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.508 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.47 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -75.23 -42.76 54.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.881 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.871 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.5 mt -57.79 -46.54 87.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.298 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -58.91 -44.69 91.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -72.48 -34.24 67.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.831 ' CD1' HG21 ' A' ' 49' ' ' ILE . 4.4 mp -73.47 -24.46 60.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 17' ' ' ILE . 93.7 t -80.96 -30.94 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.91 0.386 . . . . 0.0 110.54 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.73 -24.55 53.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.319 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.506 ' O ' HG22 ' A' ' 25' ' ' THR . . . -134.58 155.44 50.42 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.987 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.86 -52.33 51.61 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.839 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.673 HG21 ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 35.79 -104.83 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 179.559 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.99 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . 177.6 128.27 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.923 0.392 . . . . 0.0 111.265 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 2.2 pt-20 -56.5 -34.07 66.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.975 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.66 -22.9 0.33 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.99 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 25.3 m-85 -81.19 -54.08 5.82 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -57.31 -24.15 53.17 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.164 -179.398 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.67 -32.16 23.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.021 0.439 . . . . 0.0 110.336 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -29.36 61.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.794 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.79 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -85.59 -44.63 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.679 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.68 -25.11 38.06 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.854 0.359 . . . . 0.0 110.924 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -80.56 -19.96 44.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.9 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.66 109.91 6.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.173 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 13.3 mttm -59.6 -20.71 57.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.986 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.3 p -94.78 140.3 30.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.854 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 40' ' ' GLU . 32.3 m -73.83 -41.96 53.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.359 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.606 ' O ' HG22 ' A' ' 44' ' ' THR . 7.4 pt-20 -55.21 -23.93 24.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.494 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.35 -35.77 32.51 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.307 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.79 HG13 HD13 ' A' ' 33' ' ' ILE . 79.3 t -78.75 -42.89 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.674 0.273 . . . . 0.0 111.417 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.511 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 65.1 m95 -68.69 -30.28 68.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.369 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 40' ' ' GLU . 8.9 t -75.38 -51.21 13.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.168 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.786 HD23 HG23 ' A' ' 33' ' ' ILE . 10.7 tp -59.39 -32.72 70.41 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -38.5 91.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.915 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -60.72 -37.67 82.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.856 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -63.32 -37.85 88.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.248 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.831 HG21 ' CD1' ' A' ' 20' ' ' LEU . 21.4 mm -78.84 -27.98 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.757 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -64.2 -31.6 72.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.251 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.84 -48.5 4.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.36 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.638 ' HE2' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER 44.61 27.34 0.24 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.724 179.743 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 m -52.8 125.8 18.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.765 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 52' ' ' PHE . 19.0 m -134.39 -179.89 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 m -99.49 -64.53 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.203 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.888 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 1' ' ' THR . 5.2 t . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.1 m -106.45 -51.46 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.26 83.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -59.54 138.26 57.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -59.32 87.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.7 tp -60.09 136.04 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -98.25 101.87 13.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -142.6 154.78 44.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.793 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.801 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -86.63 -31.23 21.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.924 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -42.7 -51.96 5.1 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 179.748 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -47.42 -34.94 7.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.12 0.486 . . . . 0.0 110.389 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.674 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -83.15 -33.19 26.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.669 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.53 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.24 -37.17 79.54 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.363 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 19.5 tp10 -77.77 -31.8 52.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.82 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.491 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 11.2 mm-40 -52.23 -49.27 64.31 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.422 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.88 -42.0 61.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.055 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.876 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.9 mt -53.87 -48.24 62.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.826 0.346 . . . . 0.0 110.68 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -45.12 93.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.27 -35.12 73.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.445 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.681 ' HA ' HG21 ' A' ' 25' ' ' THR . 3.2 mp -68.5 -38.2 80.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.422 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 17' ' ' ILE . 22.0 t -74.56 -30.75 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.068 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -72.06 -24.58 61.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.036 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.584 ' O ' HG22 ' A' ' 25' ' ' THR . . . -134.23 147.87 50.76 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 112.012 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.34 69.26 0.51 Allowed Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.463 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.74 HG21 HD11 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -94.81 -97.65 0.16 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.211 0.204 . . . . 0.0 111.209 -179.609 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.978 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -178.71 126.21 0.1 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.79 0.328 . . . . 0.0 111.114 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.2 pt-20 -53.25 -34.19 56.15 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -50.4 -19.57 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.978 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 33.9 m-85 -82.26 -42.92 18.23 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.4 p90 -69.8 -24.09 63.43 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.947 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.35 -35.6 27.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.094 0.473 . . . . 0.0 110.142 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 32' ' ' LEU . 4.6 mt -71.15 -38.45 72.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.812 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.828 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -75.06 -43.4 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.549 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.69 -24.39 34.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.895 0.378 . . . . 0.0 110.861 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -81.83 -21.77 37.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.846 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.74 136.47 58.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.723 0.296 . . . . 0.0 110.96 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -77.91 -27.68 49.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.9 p -107.1 138.11 43.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.801 HG12 ' HA ' ' A' ' 9' ' ' LEU . 29.7 m -63.63 -40.39 88.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.406 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 44' ' ' THR . 0.2 OUTLIER -49.77 -28.22 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.374 . . . . 0.0 111.252 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.03 -37.87 31.71 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.007 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.828 HG13 HD13 ' A' ' 33' ' ' ILE . 79.4 t -75.33 -46.9 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.76 0.314 . . . . 0.0 111.249 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.584 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 63.3 m95 -63.37 -29.66 70.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.674 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 40' ' ' GLU . 8.4 p -73.4 -38.42 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.022 0.439 . . . . 0.0 110.215 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.43 HD22 ' CG2' ' A' ' 33' ' ' ILE . 1.9 mp -75.27 -29.0 60.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.643 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -71.14 -30.57 66.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.867 0.365 . . . . 0.0 110.333 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -76.41 -39.52 53.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.009 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -37.8 80.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.309 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.74 HD11 HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -77.65 -28.91 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.634 179.511 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -61.17 -33.87 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.27 -48.12 4.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.896 0.379 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.666 ' CD2' ' HA ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER 49.38 24.29 1.03 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.505 -179.833 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.549 ' O ' HG22 ' A' ' 53' ' ' THR . 28.1 m -161.26 69.32 0.33 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.22 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 53' ' ' THR . 23.3 m 44.93 -171.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.663 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.578 ' O ' HG22 ' A' ' 55' ' ' THR . 30.3 m -159.48 31.07 0.2 Allowed 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.375 -0.821 . . . . 0.0 110.811 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.816 0.341 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 m 63.78 131.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -28.67 69.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.95 122.87 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.284 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.627 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -81.37 47.96 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.699 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 6' ' ' ILE . 10.7 tp -95.83 41.15 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.068 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mp -103.6 101.7 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.416 ' HB2' ' HD3' ' A' ' 10' ' ' LYS . 26.7 m-20 -123.0 131.13 53.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.797 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.768 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -51.2 -30.92 18.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.572 -179.812 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.53 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 1.1 pmtt? -39.88 -51.86 2.42 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.642 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -36.58 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.15 0.5 . . . . 0.0 110.466 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.653 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -79.03 -30.2 44.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.444 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.53 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -59.92 -37.12 78.55 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.189 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 7.6 tp10 -77.42 -31.76 54.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.761 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 9.7 mm-40 -52.21 -48.92 64.83 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.187 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 46' ' ' LYS . . . -71.52 -44.35 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.775 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.879 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.2 mm -52.88 -44.09 48.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.624 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -49.0 72.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.77 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.14 -34.63 78.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.904 HD12 HG21 ' A' ' 49' ' ' ILE . 3.3 mp -67.54 -45.2 76.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.517 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 17' ' ' ILE . 20.8 t -69.38 -30.81 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.877 0.37 . . . . 0.0 111.503 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -74.09 -24.4 59.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.323 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.9 146.78 39.69 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.13 115.78 2.59 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.642 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.901 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.6 t -140.75 -155.27 0.57 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.197 0.522 . . . . 0.0 112.4 -178.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.788 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -139.98 107.42 5.56 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.757 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -34.8 -34.12 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.127 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.45 -24.92 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.788 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 37.6 m-85 -71.26 -54.8 9.66 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.6 p90 -60.42 -24.02 64.83 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.872 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -82.0 -34.77 29.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.132 0.491 . . . . 0.0 110.051 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.13 -44.55 62.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.803 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -69.67 -42.58 80.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.427 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.6 -23.62 51.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.961 0.41 . . . . 0.0 110.863 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -83.15 -21.05 33.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.646 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -58.58 145.22 40.2 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.808 0.337 . . . . 0.0 111.047 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -29.59 26.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.256 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.6 p -107.99 139.07 43.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.768 HG12 ' HA ' ' A' ' 9' ' ' LEU . 27.4 m -63.08 -36.97 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.333 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 44' ' ' THR . 6.8 mt-10 -51.92 -28.11 15.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.208 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.8 -34.24 43.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.91 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.803 HG13 HD13 ' A' ' 33' ' ' ILE . 94.1 t -79.05 -44.52 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.811 0.339 . . . . 0.0 111.244 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 67.5 m95 -65.97 -26.48 67.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.816 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 40' ' ' GLU . 14.2 p -78.52 -43.97 25.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.429 179.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.596 HD22 HG23 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -66.28 -43.93 84.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.745 179.764 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -61.6 -38.56 88.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.099 179.711 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -58.83 -37.8 77.25 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.71 -26.04 68.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.03 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.904 HG21 HD12 ' A' ' 20' ' ' LEU . 17.7 mm -76.23 -42.07 37.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.522 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -30.98 67.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.71 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.71 -48.07 4.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.669 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.44 ' CD2' ' HA ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER 48.1 25.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.37 179.828 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.4 m -81.29 -43.27 19.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.714 0.292 . . . . 0.0 110.563 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 m -82.58 160.72 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.004 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 m -138.56 148.43 44.19 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.014 0.435 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.044 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 2' ' ' THR . 68.9 p . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 120.717 0.294 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 1' ' ' THR . 0.0 OUTLIER -171.88 -59.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.799 179.794 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.18 105.55 1.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.88 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.55 151.22 30.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.791 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.533 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -60.19 86.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.722 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.634 HG23 ' O ' ' A' ' 6' ' ' ILE . 6.4 tp -64.97 96.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.382 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -84.59 164.86 18.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.424 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -152.99 159.58 42.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.137 0.494 . . . . 0.0 111.412 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.581 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -84.83 -30.35 24.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.987 179.795 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.544 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 11.1 mttp -35.17 -51.69 0.56 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.062 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.45 -38.75 2.95 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.215 0.531 . . . . 0.0 110.599 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.748 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -79.79 -37.09 35.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.735 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.641 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -54.91 -36.32 65.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.432 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.419 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 5.8 tp10 -77.75 -31.8 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.835 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 7.2 mm-40 -53.36 -49.95 66.09 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.768 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.733 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -80.24 -43.34 21.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.872 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.861 ' O ' HG23 ' A' ' 21' ' ' VAL . 6.6 mt -54.1 -43.15 58.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.294 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -65.36 -49.71 68.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.428 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.46 -39.9 94.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.287 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.944 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.2 mp -65.76 -45.19 83.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.706 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 17' ' ' ILE . 33.9 t -68.59 -30.69 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.904 0.383 . . . . 0.0 111.184 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.05 -24.5 61.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.143 -179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.49 145.44 36.9 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.6 113.26 1.47 Allowed Glycine 0 C--N 1.336 0.551 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.904 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.944 HG21 ' HG ' ' A' ' 20' ' ' LEU . 11.9 t -137.09 -160.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.353 0.597 . . . . 0.0 112.185 -177.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.957 ' HB3' ' CZ ' ' A' ' 29' ' ' TYR . . . -125.91 103.52 7.81 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.613 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 5.4 pt-20 -34.68 -34.29 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.682 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -48.51 -23.54 1.01 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.957 ' CZ ' ' HB3' ' A' ' 26' ' ' ALA . 2.4 m-30 -74.45 -54.74 6.97 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.4 p90 -62.37 -24.08 67.16 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.398 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -82.25 -26.2 33.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 0.0 110.456 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -33.39 30.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.903 HG23 HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -77.34 -44.99 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.377 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.75 -24.74 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -81.46 -25.91 35.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.96 123.86 20.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.049 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -65.2 -29.27 70.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.6 p -97.74 140.27 32.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 9' ' ' LEU . 23.5 m -70.8 -34.97 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.273 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.574 ' O ' HG23 ' A' ' 44' ' ' THR . 3.7 mm-40 -53.52 -25.87 18.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.46 -35.46 36.95 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.495 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.748 HG11 ' C ' ' A' ' 12' ' ' ALA . 93.4 t -75.15 -48.62 31.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.321 -0.44 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.491 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 75.4 m95 -62.11 -30.48 71.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.436 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 40' ' ' GLU . 5.4 p -68.0 -51.67 44.53 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.903 HD22 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.12 -31.79 69.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.686 178.795 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 3.5 ttpt -61.18 -34.84 75.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.589 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -67.7 -29.89 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.621 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -53.19 38.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.527 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.47 ' O ' HD12 ' A' ' 49' ' ' ILE . 2.0 tp -57.38 -27.78 29.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.843 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -72.63 -35.83 67.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.694 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.44 -48.26 4.84 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.685 0.278 . . . . 0.0 111.355 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.431 ' O ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER 58.83 19.9 7.45 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.925 0.393 . . . . 0.0 111.162 -179.551 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 64.35 139.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.2 t -127.56 -44.21 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.188 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.1 m -153.52 137.63 16.44 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.359 -0.829 . . . . 0.0 111.119 -179.619 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.755 0.312 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.9 m -129.87 99.22 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 61.37 155.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.07 131.13 54.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -58.92 88.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 6' ' ' ILE . 8.2 tp -70.47 68.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 5' ' ' LEU . 9.4 mt -107.58 160.97 15.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.728 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -159.09 -165.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 111.227 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 37' ' ' LYS . 8.0 mt -60.61 -31.01 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.045 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -39.82 -52.03 2.37 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.038 -179.331 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -53.99 -35.29 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.666 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -84.71 -34.01 23.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.276 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.03 -36.97 80.95 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.425 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 23.8 tt0 -76.83 -33.5 57.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.518 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.481 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.0 mm-40 -50.27 -49.12 54.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.262 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.26 -47.17 52.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.918 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.6 mt -54.89 -42.54 63.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -48.27 77.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -69.87 -33.9 72.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.288 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.059 HD12 HG21 ' A' ' 49' ' ' ILE . 3.3 mp -67.17 -45.14 77.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.604 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 17' ' ' ILE . 24.2 t -69.08 -30.65 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.841 0.353 . . . . 0.0 111.374 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.71 -24.47 59.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.283 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.24 146.71 38.99 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.1 115.37 2.33 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.006 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.938 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.5 t -140.62 -157.59 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.351 0.596 . . . . 0.0 111.985 -177.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.878 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -134.18 104.01 6.01 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.074 -0.967 . . . . 0.0 109.776 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -34.79 -34.33 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.6 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -51.56 -23.17 3.85 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.878 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 35.8 m-85 -69.36 -54.77 12.81 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.512 ' HA ' ' CG1' ' A' ' 33' ' ' ILE . 2.5 p90 -66.5 -23.92 66.32 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.069 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -78.07 -23.49 48.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.041 0.448 . . . . 0.0 110.098 179.115 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.12 -41.97 13.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.325 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.788 HG23 HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -68.62 -43.94 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.809 -179.492 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.65 -23.31 16.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -100.5 0.09 38.9 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.15 76.05 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.704 ' HA ' HD11 ' A' ' 9' ' ' LEU . 9.1 mmmm 76.52 7.29 3.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.019 0.438 . . . . 0.0 110.858 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.4 p -137.0 139.65 41.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.188 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 40' ' ' GLU . 27.5 m -70.4 -48.3 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.595 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.565 ' O ' HG23 ' A' ' 44' ' ' THR . 2.7 mt-10 -58.46 -25.09 61.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.247 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.2 -42.71 18.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.423 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.763 HG13 HD13 ' A' ' 33' ' ' ILE . 69.8 t -72.35 -47.22 53.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.788 0.328 . . . . 0.0 111.238 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.578 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 57.8 m95 -61.28 -38.4 86.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.82 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 40' ' ' GLU . 12.9 p -63.82 -50.81 67.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.977 0.417 . . . . 0.0 110.155 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.788 HD22 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -55.67 -38.0 69.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.222 179.372 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -45.82 82.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.211 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -57.97 -31.39 66.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.112 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.27 -23.84 62.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.583 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.059 HG21 HD12 ' A' ' 20' ' ' LEU . 19.2 mm -78.58 -29.64 14.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.53 -30.88 47.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -99.22 -43.55 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.546 ' HE1' HG23 ' A' ' 49' ' ' ILE . 0.7 OUTLIER 60.7 17.67 7.79 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.207 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.65 ' CG2' HG23 ' A' ' 54' ' ' VAL . 0.5 OUTLIER 58.87 -173.98 0.1 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.001 179.829 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.65 HG23 ' CG2' ' A' ' 53' ' ' THR . 21.2 t 71.2 -70.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.661 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.573 ' O ' HG22 ' A' ' 55' ' ' THR . 1.6 m 38.85 89.64 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.001 0.429 . . . . 0.0 111.956 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.77 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.799 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.893 0.377 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.98 157.64 45.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.709 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -110.53 -40.56 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.8 mttp 57.04 161.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.473 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -112.65 -20.42 11.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.827 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 6' ' ' ILE . 8.2 tp -46.69 115.75 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-O 120.921 0.391 . . . . 0.0 111.446 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.2 mt -97.61 34.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.218 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m120 56.13 -175.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -75.03 -31.17 61.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.724 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -41.08 -51.91 3.29 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.752 -179.614 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -36.3 25.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.02 0.438 . . . . 0.0 110.625 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.684 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -85.45 -37.69 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.257 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.07 -36.92 75.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.433 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -77.36 -31.98 54.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.667 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.497 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 8.9 mm-40 -53.0 -49.58 65.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.637 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -76.02 -38.06 57.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.196 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.671 ' O ' HG22 ' A' ' 21' ' ' VAL . 13.4 mt -59.37 -49.96 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.685 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -61.41 -41.75 97.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.644 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 15' ' ' GLU . 12.7 mm-40 -72.16 -33.91 68.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.266 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.073 HD12 HG21 ' A' ' 49' ' ' ILE . 2.7 mp -63.64 -45.12 91.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.771 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -71.08 -30.89 42.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.966 0.412 . . . . 0.0 110.723 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.31 -24.57 66.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.896 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.48 ' O ' HG22 ' A' ' 25' ' ' THR . . . -133.7 151.16 51.56 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.86 0.362 . . . . 0.0 111.849 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.76 68.62 0.29 Allowed Glycine 0 C--O 1.237 0.296 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.56 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.701 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.7 t -106.03 -161.84 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.681 0.276 . . . . 0.0 110.693 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.574 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -108.02 152.31 24.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.742 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -77.66 -34.47 53.07 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.991 0.424 . . . . 0.0 111.832 -179.657 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -45.53 -30.51 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.482 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 27.2 m-85 -61.94 -54.58 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.2 p90 -60.76 -24.25 65.6 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.676 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -84.06 -35.38 23.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.04 0.448 . . . . 0.0 110.296 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -30.88 64.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.774 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -84.25 -45.17 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.69 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.24 -26.22 38.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.908 0.385 . . . . 0.0 110.861 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -78.85 -20.33 49.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.862 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.62 110.56 8.0 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.154 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 2.3 pttt -59.28 -21.25 59.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.891 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.8 p -95.08 139.63 31.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.43 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.4 m -73.75 -40.02 53.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.228 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.631 ' O ' HG22 ' A' ' 44' ' ' THR . 66.6 mt-10 -54.5 -26.76 33.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.197 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.509 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -77.24 -34.21 41.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.147 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.774 HG13 HD13 ' A' ' 33' ' ' ILE . 77.9 t -79.47 -43.53 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.748 0.308 . . . . 0.0 111.328 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.497 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 63.5 m95 -66.06 -33.76 76.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.946 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 40' ' ' GLU . 5.7 t -71.27 -49.24 45.03 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.99 0.424 . . . . 0.0 109.905 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.4 mm? -56.36 -34.06 66.29 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.794 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.49 -39.08 93.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.775 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.19 -34.76 70.7 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.887 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.38 -40.36 89.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.869 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.073 HG21 HD12 ' A' ' 20' ' ' LEU . 24.3 mm -58.09 -29.8 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.729 179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -87.7 -29.93 20.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.212 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -82.69 -37.09 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.326 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.559 ' HE2' ' HG1' ' A' ' 25' ' ' THR . 0.1 OUTLIER -87.07 3.86 44.42 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.073 0.463 . . . . 0.0 111.374 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.469 HG22 ' N ' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -83.63 -63.21 1.4 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.589 179.385 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.469 ' N ' HG22 ' A' ' 53' ' ' THR . 12.5 m -67.4 145.8 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.011 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 m -148.3 165.28 31.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.783 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.268 0 CA-C-O 118.124 -0.941 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.847 0.356 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 3' ' ' TYR . 44.9 m 60.52 162.4 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.444 ' N ' HG22 ' A' ' 2' ' ' THR . 68.3 m-85 -59.07 113.38 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.587 ' HG3' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -98.41 178.3 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.759 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -116.66 -22.12 8.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.603 HD12 ' H ' ' A' ' 7' ' ' LEU . 2.4 tp -48.11 131.88 5.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.077 0.465 . . . . 0.0 111.607 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.603 ' H ' HD12 ' A' ' 6' ' ' ILE . 1.4 mt -109.75 -161.74 0.77 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.311 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -151.61 164.1 37.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.004 0.431 . . . . 0.0 111.197 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -86.09 -31.12 22.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.916 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -38.76 -42.89 0.86 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.278 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.9 -43.96 63.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.242 0.544 . . . . 0.0 110.212 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.646 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -75.79 -30.31 59.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.065 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -57.85 -36.7 72.68 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.467 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.506 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 4.9 tp10 -78.68 -31.84 46.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.901 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.492 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 4.5 mm-40 -51.85 -49.3 63.14 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.418 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.406 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -74.79 -43.84 52.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.058 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.861 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.0 mt -54.73 -45.81 73.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.67 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -47.04 83.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.799 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.74 -36.54 80.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.365 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.915 ' HG ' HG21 ' A' ' 25' ' ' THR . 3.1 mp -66.78 -45.19 79.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.658 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 17' ' ' ILE . 22.4 t -67.69 -30.78 49.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.857 0.36 . . . . 0.0 111.436 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -24.49 59.1 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.47 146.67 40.32 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.33 113.57 1.55 Allowed Glycine 0 C--N 1.337 0.591 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.933 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.915 HG21 ' HG ' ' A' ' 20' ' ' LEU . 13.9 t -139.47 -155.13 0.56 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.189 0.519 . . . . 0.0 112.091 -178.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.888 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -135.1 102.12 5.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.777 178.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.8 pm0 -34.91 -34.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.696 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -49.97 -24.75 2.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.495 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.888 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 18.4 m-85 -69.98 -54.81 11.58 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.479 ' HA ' ' CG1' ' A' ' 33' ' ' ILE . 1.9 p90 -61.84 -25.59 67.61 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.968 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -80.84 -26.36 37.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.087 0.47 . . . . 0.0 110.059 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 mt -82.56 -41.15 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.798 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -68.63 -44.27 82.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.317 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.51 -23.27 62.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.327 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -94.11 -12.71 27.86 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.812 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.94 -24.68 9.82 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.43 16.36 10.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.382 . . . . 0.0 110.553 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.23 159.6 42.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.425 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 40' ' ' GLU . 34.0 m -88.82 -46.2 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.858 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 44' ' ' THR . 8.9 pt-20 -58.86 -24.17 61.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.733 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.37 -41.03 14.17 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.978 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.798 HG13 HD13 ' A' ' 33' ' ' ILE . 88.9 t -72.44 -48.33 48.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.737 0.303 . . . . 0.0 111.071 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.586 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 64.7 m95 -62.54 -30.52 71.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.636 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 40' ' ' GLU . 1.3 p -66.07 -50.36 64.4 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.784 HD22 HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -61.9 -29.87 70.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.721 178.739 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.418 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.86 -31.75 72.04 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.71 178.852 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -71.3 -35.59 71.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.474 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' PHE . 22.2 mt-10 -63.23 -53.12 58.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.218 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.723 HG12 HD12 ' A' ' 20' ' ' LEU . 4.0 tp -56.97 -27.91 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.94 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.49 -39.88 77.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.681 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.476 HG22 HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -101.98 -48.35 4.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.62 0.248 . . . . 0.0 111.277 -179.695 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' HD2' HD12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER 47.85 25.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.459 179.812 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.699 HG23 HG23 ' A' ' 54' ' ' VAL . 1.2 t -155.75 -164.18 1.67 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.604 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.699 HG23 HG23 ' A' ' 53' ' ' THR . 17.0 t 71.06 -67.32 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.928 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.2 m -85.78 -58.79 2.51 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.007 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.422 -0.799 . . . . 0.0 110.667 179.844 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.41 160.28 20.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -107.67 124.89 50.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -105.97 176.33 5.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.59 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -101.01 117.04 34.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.081 0.467 . . . . 0.0 110.553 179.769 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 6' ' ' ILE . 9.3 tp -84.29 116.84 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.325 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 pp -111.6 140.07 46.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -156.36 160.86 40.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -82.96 -31.18 27.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.909 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.546 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -39.44 -52.23 2.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.528 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -44.9 -34.54 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.217 0.532 . . . . 0.0 110.361 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.723 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -82.19 -37.77 25.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.496 179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.667 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -55.24 -36.58 66.19 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.403 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.435 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 16.3 tt0 -78.38 -31.89 48.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.595 178.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.526 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 5.9 mm-40 -51.97 -49.61 62.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.794 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.63 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -76.91 -38.96 52.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.07 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.607 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.5 mt -57.38 -47.87 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.228 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -62.94 -39.9 96.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.78 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 6.4 mm-40 -72.48 -33.77 67.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.071 HD12 HG21 ' A' ' 49' ' ' ILE . 3.9 mp -62.28 -45.29 93.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.551 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -73.8 -31.02 30.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 0.0 110.998 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -67.41 -24.37 65.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.809 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 25' ' ' THR . . . -135.08 146.57 49.03 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 111.907 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.65 82.94 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.042 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.728 HG21 ' HA ' ' A' ' 20' ' ' LEU . 6.8 t -118.72 -143.1 0.36 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 122.454 0.301 . . . . 0.0 110.87 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.85 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -127.07 163.94 22.66 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 120.659 0.266 . . . . 0.0 110.678 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.496 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 4.0 pt-20 -85.3 -38.53 18.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.643 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -45.55 -29.37 1.15 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.55 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.85 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 31.6 m-85 -61.24 -51.63 68.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.793 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.517 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.7 p90 -65.59 -24.29 67.04 Favored 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.687 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HD3' ' CE1' ' A' ' 30' ' ' PHE . 8.2 mtpt -80.94 -27.93 35.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.119 0.485 . . . . 0.0 110.496 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.19 -42.37 19.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.059 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.675 ' HB ' HG13 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -69.23 -44.23 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.469 -179.65 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.68 -30.14 69.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.966 0.412 . . . . 0.0 110.631 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -72.82 -26.25 61.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.615 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.49 157.7 8.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.856 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -102.25 -23.83 13.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.0 p -107.73 137.68 45.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.859 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 9' ' ' LEU . 35.7 m -60.88 -37.2 76.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.332 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 44' ' ' THR . 5.9 mm-40 -53.87 -27.66 31.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.273 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.58 -39.26 41.79 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.753 . . . . 0.0 111.884 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.723 HG11 ' C ' ' A' ' 12' ' ' ALA . 96.5 t -76.45 -46.52 31.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.426 -0.387 . . . . 0.0 111.565 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 73.5 m95 -63.98 -24.43 67.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.025 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 40' ' ' GLU . 6.9 p -77.54 -52.62 8.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.161 0.505 . . . . 0.0 109.956 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.605 HD22 HG23 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -59.62 -45.05 93.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.536 179.555 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.491 ' HG2' ' HA ' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -58.63 -36.18 73.68 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.114 179.53 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.01 -31.61 70.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.167 0.508 . . . . 0.0 109.77 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -76.99 -23.8 52.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.593 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.071 HG21 HD12 ' A' ' 20' ' ' LEU . 32.3 mm -72.2 -36.0 54.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.3 -39.66 32.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.293 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.0 -48.29 7.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.772 0.32 . . . . 0.0 111.141 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CD1' ' HA ' ' A' ' 49' ' ' ILE . 0.3 OUTLIER 46.09 25.97 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.689 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 57.29 167.88 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.7 t -128.8 -50.78 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.234 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m -113.54 152.55 30.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.008 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.998 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 2' ' ' THR . 1.5 t . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.662 0.268 . . . . 0.0 111.42 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.426 ' H ' HG23 ' A' ' 1' ' ' THR . 6.9 m 61.17 84.56 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.819 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.76 -62.74 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.798 ' HB3' HG22 ' A' ' 6' ' ' ILE . 2.6 mtmp? -68.12 115.76 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.506 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.549 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -63.2 -23.7 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.785 179.612 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.798 HG22 ' HB3' ' A' ' 4' ' ' LYS . 5.0 tp -50.56 126.03 4.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.359 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.06 29.23 2.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.338 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.4 m120 58.9 156.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.087 0.47 . . . . 0.0 111.489 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.535 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -83.32 -30.88 27.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.755 179.737 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.588 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 6.2 mttt -35.4 -40.93 0.16 Allowed 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.709 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.26 -49.97 31.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.48 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.652 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -69.56 -27.69 65.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.904 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.798 ' HE3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -59.67 -36.1 75.77 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.273 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.478 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 18.0 tt0 -78.78 -31.98 46.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.589 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.533 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -51.44 -49.17 62.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.359 179.201 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -75.2 -47.27 29.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.936 179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.83 ' O ' HG23 ' A' ' 21' ' ' VAL . 28.9 mt -54.31 -43.89 63.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.25 -48.94 73.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.83 -36.35 82.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.335 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.055 HD12 HG21 ' A' ' 49' ' ' ILE . 2.7 mp -67.16 -45.25 77.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.783 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 17' ' ' ILE . 31.8 t -68.72 -30.75 48.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.841 0.353 . . . . 0.0 111.249 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.17 -24.52 60.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.302 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.39 146.61 38.6 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.65 115.1 2.03 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.824 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.932 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.2 t -141.23 -156.11 0.65 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.861 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -133.35 102.37 5.52 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.102 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.455 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -35.26 -34.06 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.982 0.801 . . . . 0.0 112.618 -179.11 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -22.98 1.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.861 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 9.9 m-85 -74.15 -54.63 7.36 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.9 p90 -62.66 -24.12 67.46 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.256 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -81.73 -23.63 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.987 0.422 . . . . 0.0 110.547 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.408 ' HA ' ' ND2' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -86.32 -29.41 23.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.199 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.862 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -83.17 -42.84 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.801 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.81 -23.63 19.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.724 0.297 . . . . 0.0 111.431 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' A' ' 32' ' ' LEU . 23.4 p30 -85.06 -24.0 28.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.407 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.14 116.9 3.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.843 0.354 . . . . 0.0 111.278 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -59.77 -31.17 69.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.536 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.65 143.62 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.54 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 9' ' ' LEU . 33.5 m -75.72 -41.5 40.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.362 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.425 ' N ' HG23 ' A' ' 39' ' ' VAL . 36.7 mt-10 -53.5 -24.69 13.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.316 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.423 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -75.23 -38.93 38.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.002 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.862 HG13 HD13 ' A' ' 33' ' ' ILE . 70.1 t -70.03 -43.64 79.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.824 0.345 . . . . 0.0 111.26 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.533 ' CZ2' ' HG2' ' A' ' 15' ' ' GLU . 70.0 m95 -65.17 -36.02 82.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.753 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -56.06 18.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.93 0.395 . . . . 0.0 110.419 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 41' ' ' GLY . 3.1 mm? -53.01 -37.7 61.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.326 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -61.54 -42.49 98.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.143 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -54.86 -34.07 62.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.984 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -71.3 -31.9 67.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.259 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.055 HG21 HD12 ' A' ' 20' ' ' LEU . 30.1 mm -64.63 -27.91 43.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.03 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.487 ' HA ' HG22 ' A' ' 53' ' ' THR . 0.1 OUTLIER -86.79 -28.09 23.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.379 -179.837 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.63 -36.74 28.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.184 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.495 ' O ' ' CD2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -88.09 6.54 35.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.218 0.532 . . . . 0.0 111.759 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 50' ' ' LYS . 1.4 t -124.99 126.19 45.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.813 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.511 HG23 ' H ' ' A' ' 55' ' ' THR . 0.6 OUTLIER -144.49 -57.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.121 -179.86 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.511 ' H ' HG23 ' A' ' 54' ' ' VAL . 2.0 m -136.82 -54.96 0.72 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.939 179.789 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.893 0.378 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.17 21.9 10.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.071 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 60.69 153.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.893 0.377 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -57.43 132.87 54.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.798 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -91.4 -20.35 21.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.611 179.61 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.982 HD11 HG11 ' A' ' 39' ' ' VAL . 8.2 tp -49.77 143.26 2.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.354 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.4 pp -133.81 87.19 2.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 59.67 162.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.426 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -76.2 -31.21 58.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.919 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 11.2 mptt -35.83 -47.71 0.52 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.65 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -48.32 38.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.813 0.339 . . . . 0.0 110.479 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.666 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -68.33 -27.89 66.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.653 179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -60.72 -35.94 77.59 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.285 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 3.8 mt-10 -76.49 -33.36 58.66 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.519 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -51.18 -49.08 61.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.599 179.386 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.78 -42.39 61.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.9 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.6 mm -56.82 -48.74 80.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.777 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -60.94 -44.11 97.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.58 -33.88 67.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.442 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.061 HD12 HG21 ' A' ' 49' ' ' ILE . 3.4 mp -67.52 -40.48 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.36 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 17' ' ' ILE . 9.9 t -72.5 -30.77 35.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.112 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -24.47 61.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.155 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.517 ' O ' HG22 ' A' ' 25' ' ' THR . . . -131.52 149.71 52.42 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.948 0.404 . . . . 0.0 111.87 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.84 68.72 0.43 Allowed Glycine 0 CA--C 1.517 0.162 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.659 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.648 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.2 t -104.22 -162.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 122.416 0.287 . . . . 0.0 110.578 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.558 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -106.07 133.55 50.61 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 120.772 0.32 . . . . 0.0 111.376 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.505 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -59.14 -34.18 71.76 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.743 -179.839 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -43.87 -36.28 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.904 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.503 ' HB2' HD21 ' A' ' 20' ' ' LEU . 38.6 m-85 -57.1 -54.51 45.98 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.5 p90 -62.02 -24.2 66.91 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.733 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.62 -32.56 23.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.07 0.462 . . . . 0.0 110.423 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -29.85 45.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.127 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.866 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -83.12 -44.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.65 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.04 -23.62 55.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.92 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -82.08 -24.08 35.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.426 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -62.54 130.71 46.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.805 0.336 . . . . 0.0 110.97 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -77.35 -7.31 55.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.032 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.5 p -117.58 140.36 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.982 HG11 HD11 ' A' ' 6' ' ' ILE . 35.1 m -68.36 -42.73 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.252 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 39' ' ' VAL . 3.7 mm-40 -54.11 -24.69 18.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -76.48 -40.77 26.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.067 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.866 HG13 HD13 ' A' ' 33' ' ' ILE . 79.0 t -70.68 -45.8 72.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.754 0.311 . . . . 0.0 111.278 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.519 ' CZ2' ' HG2' ' A' ' 15' ' ' GLU . 70.8 m95 -64.24 -36.2 83.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.801 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 40' ' ' GLU . 1.7 p -62.51 -56.15 20.77 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.98 0.419 . . . . 0.0 110.223 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 45' ' ' LEU . 3.2 mm? -57.5 -35.1 69.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.111 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -45.26 95.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.113 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -36.09 65.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.015 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -36.24 83.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.123 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.061 HG21 HD12 ' A' ' 20' ' ' LEU . 11.3 mm -63.61 -28.28 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.062 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -22.14 25.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.697 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.86 -34.53 10.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.546 0.212 . . . . 0.0 111.469 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -83.16 -0.1 47.72 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 121.16 0.505 . . . . 0.0 111.452 -179.762 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.704 HG22 HG13 ' A' ' 54' ' ' VAL . 1.2 m -66.57 -59.54 3.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.433 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.704 HG13 HG22 ' A' ' 53' ' ' THR . 17.8 m -133.08 167.98 25.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.984 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.8 m -140.9 106.85 5.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.896 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 C--O 1.242 0.682 0 CA-C-O 118.104 -0.951 . . . . 0.0 110.962 -179.903 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.765 0.317 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 m -161.26 66.58 0.29 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -60.51 164.59 4.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -67.04 127.72 33.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -59.57 91.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.704 HD12 ' H ' ' A' ' 7' ' ' LEU . 2.7 tp -54.49 138.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.424 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.704 ' H ' HD12 ' A' ' 6' ' ' ILE . 12.3 mt -105.83 -151.78 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.422 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -44.03 154.7 0.1 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.094 0.473 . . . . 0.0 111.92 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.493 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.44 -30.81 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.067 179.82 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.534 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -35.36 -49.58 0.52 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.841 -179.558 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' OE1' HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -43.54 -38.76 3.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.027 0.442 . . . . 0.0 110.755 179.643 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.651 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -80.66 -32.88 35.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.833 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.7 -36.78 77.22 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.382 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -77.22 -31.85 55.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.768 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.521 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.5 mm-40 -51.92 -49.15 63.66 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.336 179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.465 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.76 -42.35 61.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.078 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.914 ' O ' HG23 ' A' ' 21' ' ' VAL . 30.9 mt -56.45 -47.42 81.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.617 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -45.24 95.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.787 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.58 -35.41 70.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.29 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.081 HD12 HG21 ' A' ' 49' ' ' ILE . 4.5 mp -67.96 -36.44 80.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.31 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 17' ' ' ILE . 27.1 t -73.44 -30.6 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.89 0.376 . . . . 0.0 110.747 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.47 -24.72 61.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.983 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 25' ' ' THR . . . -137.71 146.46 43.78 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.94 0.4 . . . . 0.0 111.979 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.25 65.15 0.75 Allowed Glycine 0 C--O 1.227 -0.33 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.493 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.588 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.4 -89.85 0.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.415 0.15 . . . . 0.0 111.232 -179.762 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.954 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . 179.23 122.01 0.05 Allowed 'General case' 0 C--O 1.225 -0.203 0 CA-C-O 120.782 0.325 . . . . 0.0 111.083 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.49 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -48.79 -46.96 42.28 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.945 -179.363 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HE3' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -37.33 -39.96 0.32 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -179.008 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.954 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 32.8 m-85 -56.89 -51.97 66.98 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.1 p90 -65.31 -24.15 67.2 Favored 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 120.306 -0.557 . . . . 0.0 111.035 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.76 -33.71 24.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.059 0.456 . . . . 0.0 110.291 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.86 -35.86 64.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.772 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -77.21 -45.09 30.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.525 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.28 -28.72 59.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.993 0.425 . . . . 0.0 110.747 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -74.44 -26.11 59.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.69 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.01 138.97 58.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.902 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 13.05 19.16 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.11 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.8 p -134.4 139.02 45.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.348 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.574 HG11 ' CG1' ' A' ' 6' ' ' ILE . 35.4 m -68.12 -37.39 78.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.258 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 44' ' ' THR . 10.3 mt-10 -60.73 -25.47 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.74 -40.67 25.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.157 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.772 HG13 HD13 ' A' ' 33' ' ' ILE . 86.5 t -73.78 -47.39 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.718 0.294 . . . . 0.0 111.424 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 61.0 m95 -63.3 -29.72 70.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.695 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 40' ' ' GLU . 3.0 p -69.49 -55.52 9.99 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.022 0.439 . . . . 0.0 110.102 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.46 -36.88 67.05 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.16 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -39.82 92.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.039 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -58.96 -32.86 70.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.14 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -70.4 -32.96 70.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.2 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.081 HG21 HD12 ' A' ' 20' ' ' LEU . 17.6 mm -64.68 -43.08 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.955 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -69.52 -31.88 70.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.298 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 -42.16 26.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.715 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.556 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -91.07 8.09 37.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.144 0.497 . . . . 0.0 111.032 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.54 HG23 ' CB ' ' A' ' 23' ' ' ALA . 1.0 OUTLIER -54.87 -63.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.766 179.406 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.464 ' N ' HG22 ' A' ' 53' ' ' THR . 15.2 m -55.93 153.87 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-O 121.107 0.48 . . . . 0.0 111.254 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.2 m -111.2 134.56 52.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.878 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.571 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.159 0 CA-C-O 120.647 0.261 . . . . 0.0 111.078 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.52 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -35.52 -51.7 0.64 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.062 -179.664 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -37.99 4.84 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.052 0.453 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.656 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -80.86 -32.4 35.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.723 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.64 -36.86 77.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 18.5 tt0 -77.33 -32.35 55.18 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.632 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.48 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 6.1 mm-40 -51.74 -49.13 63.17 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.398 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.36 -44.12 59.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.01 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.879 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.1 mm -54.41 -43.81 64.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.525 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -63.73 -48.04 78.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -67.19 -36.26 81.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.069 HD12 HG21 ' A' ' 49' ' ' ILE . 3.4 mp -66.25 -45.21 81.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.527 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 17' ' ' ILE . 21.8 t -68.31 -30.82 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.869 0.366 . . . . 0.0 111.395 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.49 -24.39 60.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.299 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.91 146.03 36.89 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.89 114.45 1.82 Allowed Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.632 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.902 HG21 ' HG ' ' A' ' 20' ' ' LEU . 15.1 t -138.14 -159.35 0.95 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.164 0.507 . . . . 0.0 112.358 -177.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.865 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -133.63 105.07 6.65 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.254 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -34.73 -34.31 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.028 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -48.55 -25.68 1.83 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.637 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.865 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 29.7 m-85 -71.47 -54.84 9.27 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.4 p90 -60.76 -24.16 65.53 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.967 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.49 -32.53 28.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.084 0.469 . . . . 0.0 110.128 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.57 -40.31 61.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.937 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.773 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -73.36 -44.36 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.433 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.55 -25.87 60.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.887 0.375 . . . . 0.0 110.764 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -78.7 -24.1 45.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.807 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.91 136.91 58.22 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.85 0.357 . . . . 0.0 111.067 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -27.45 50.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.1 p -104.06 139.25 39.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.601 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 9' ' ' LEU . 35.9 m -66.14 -37.18 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.306 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.621 ' O ' HG22 ' A' ' 44' ' ' THR . 7.9 mt-10 -53.32 -27.17 21.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.139 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.28 -31.91 49.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.042 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.773 HG13 HD13 ' A' ' 33' ' ' ILE . 92.4 t -81.64 -43.11 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.772 0.32 . . . . 0.0 111.39 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.48 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 65.7 m95 -67.49 -29.14 68.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.01 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 40' ' ' GLU . 8.1 t -77.96 -47.44 18.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.991 0.424 . . . . 0.0 110.083 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.445 HD22 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.33 -38.17 82.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.961 179.173 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -65.22 -32.96 74.9 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.053 179.383 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 74.6 m-20 -62.21 -34.71 76.99 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.35 -28.56 66.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.067 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.069 HG21 HD12 ' A' ' 20' ' ' LEU . 19.9 mm . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.6 179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.812 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.666 0.27 . . . . 0.0 111.014 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.512 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 3.9 mmtp -39.77 -51.96 2.34 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.535 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -48.13 -37.36 15.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.181 0.515 . . . . 0.0 110.461 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.64 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -80.37 -31.54 37.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.678 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -61.2 -36.68 80.53 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.322 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.431 ' HG2' ' HD2' ' A' ' 13' ' ' LYS . 7.0 mm-40 -76.06 -31.8 58.97 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.648 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.482 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 8.6 mm-40 -53.15 -49.26 66.96 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.568 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 46' ' ' LYS . . . -73.31 -42.36 62.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.964 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.8 mt -55.9 -46.9 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.592 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -51.41 69.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.179 0.514 . . . . 0.0 110.412 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.92 -39.23 88.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.425 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.998 HD12 HG21 ' A' ' 49' ' ' ILE . 3.3 mp -60.41 -25.57 66.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.405 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 17' ' ' ILE . 0.5 OUTLIER -81.51 -30.95 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.016 0.436 . . . . 0.0 110.253 179.296 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -24.64 66.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.408 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.64 ' O ' HG22 ' A' ' 25' ' ' THR . . . -136.32 151.99 50.19 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.571 0.224 . . . . 0.0 111.567 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.63 -43.78 8.08 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.312 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.752 HG21 ' HG ' ' A' ' 20' ' ' LEU . 15.0 t 29.93 -148.29 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 178.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 29' ' ' TYR . . . -154.93 131.59 10.63 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -49.35 -34.13 15.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.83 -179.491 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -44.97 -27.48 0.55 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.386 0.514 . . . . 0.0 112.386 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.472 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 26.0 m-85 -72.73 -54.82 7.9 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.1 p90 -60.22 -23.93 64.43 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.14 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.29 -32.45 26.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.035 0.445 . . . . 0.0 110.393 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -29.9 59.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.992 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.784 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -86.64 -44.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.791 -179.544 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.4 -24.64 31.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.998 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -80.41 -24.02 39.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.763 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.14 132.06 52.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.874 0.369 . . . . 0.0 110.925 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -24.24 58.09 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.344 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.4 p -105.76 138.73 41.45 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.736 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.812 HG12 ' HA ' ' A' ' 9' ' ' LEU . 29.6 m -66.24 -38.02 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.3 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.532 ' O ' HG23 ' A' ' 44' ' ' THR . 2.1 mp0 -53.01 -27.84 21.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.268 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.79 -34.67 42.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.004 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.784 HG13 HD13 ' A' ' 33' ' ' ILE . 81.5 t -78.86 -44.54 25.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.783 0.325 . . . . 0.0 111.266 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.576 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 61.5 m95 -65.28 -29.16 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.766 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 40' ' ' GLU . 14.7 p -75.59 -46.8 29.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.512 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD2' HG23 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -63.58 -43.61 96.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.092 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.545 ' HG2' ' HA ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -62.11 -33.18 73.97 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.114 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -62.91 -35.78 81.19 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -28.91 69.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.043 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.998 HG21 HD12 ' A' ' 20' ' ' LEU . 38.3 mm . . . . . 0 N--CA 1.455 -0.212 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.424 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.551 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.646 0.26 . . . . 0.0 111.028 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.537 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 12.4 mmtm -35.27 -47.9 0.43 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.319 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -46.11 -34.33 4.12 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.122 0.487 . . . . 0.0 110.728 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.682 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -83.55 -32.44 25.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.633 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.537 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.19 -37.1 81.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.199 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 5.8 tp10 -77.26 -31.86 55.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.79 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 6.6 mm-40 -52.15 -49.18 64.26 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.298 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.491 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.59 -41.59 62.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.097 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.7 mt -55.79 -48.85 77.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.658 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -44.73 96.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.769 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.98 -34.31 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.445 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.143 HD12 HG21 ' A' ' 49' ' ' ILE . 3.4 mp -67.5 -43.11 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.276 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 17' ' ' ILE . 12.2 t -69.05 -30.67 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -24.43 60.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.338 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.512 ' O ' HG22 ' A' ' 25' ' ' THR . . . -130.92 150.19 52.19 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.974 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.99 66.24 0.48 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.701 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.643 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.2 t -102.14 -163.44 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 122.702 0.401 . . . . 0.0 110.669 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.703 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -101.97 140.28 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.686 0.279 . . . . 0.0 110.987 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 6.7 mm-40 -70.28 -34.35 72.68 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.516 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -48.4 -29.04 3.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.649 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.703 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 20.3 m-85 -61.78 -54.47 41.96 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.527 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.5 p90 -61.53 -24.36 66.57 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.593 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -86.27 -30.66 22.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.064 0.459 . . . . 0.0 110.402 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 mt -78.93 -29.06 43.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.804 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.805 HD13 HG13 ' A' ' 42' ' ' VAL . 1.2 pp -87.59 -41.24 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.542 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.48 -23.79 17.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.677 0.275 . . . . 0.0 111.467 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -87.04 -18.15 31.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.376 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.44 121.46 12.16 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.73 0.3 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -29.43 70.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.849 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.5 p -98.32 140.17 32.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 9' ' ' LEU . 35.4 m -71.01 -40.31 75.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.299 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 44' ' ' THR . 0.4 OUTLIER -54.25 -25.28 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.137 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.83 -37.79 32.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.832 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.805 HG13 HD13 ' A' ' 33' ' ' ILE . 78.9 t -74.88 -47.06 38.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.797 0.332 . . . . 0.0 111.176 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.501 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 64.5 m95 -63.17 -29.17 70.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.581 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 40' ' ' GLU . 3.0 p -70.65 -56.0 7.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.016 0.436 . . . . 0.0 110.2 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.589 HD22 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -55.14 -34.77 64.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.064 179.246 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -60.75 -44.5 96.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.046 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.61 -34.7 65.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.075 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.81 -36.99 81.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.217 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.143 HG21 HD12 ' A' ' 20' ' ' LEU . 26.6 mm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.772 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.725 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.654 0.264 . . . . 0.0 110.881 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.512 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -40.17 -51.74 2.64 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.497 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -45.48 -33.68 2.8 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.159 0.504 . . . . 0.0 110.46 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.67 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -84.27 -34.94 23.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.647 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -59.62 -36.88 77.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.333 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 37.9 tp10 -77.98 -31.79 50.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.735 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.503 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.4 mm-40 -52.05 -49.03 64.26 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.376 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.6 -42.85 60.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.027 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.903 ' O ' HG23 ' A' ' 21' ' ' VAL . 8.9 mt -55.03 -48.38 75.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.702 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.49 -43.32 99.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -73.17 -34.11 65.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.481 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.06 HD12 HG21 ' A' ' 49' ' ' ILE . 2.9 mp -67.16 -38.71 85.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 111.253 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 17' ' ' ILE . 11.4 t -74.42 -30.84 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.063 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -24.51 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.99 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.485 ' O ' HG22 ' A' ' 25' ' ' THR . . . -132.12 150.59 52.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.824 0.345 . . . . 0.0 111.855 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.32 71.0 0.34 Allowed Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.442 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.715 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.6 t -107.08 -164.34 0.98 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.43 0.292 . . . . 0.0 110.885 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.558 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -103.04 143.0 33.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.709 0.29 . . . . 0.0 111.298 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.507 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 1.6 mm-40 -70.17 -35.13 73.77 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.563 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -46.25 -31.44 2.5 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.933 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 18.7 m-85 -61.82 -54.53 40.95 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.542 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.3 p90 -61.36 -24.07 66.22 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.779 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.48 -40.41 19.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.155 0.503 . . . . 0.0 110.162 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -36.38 80.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.799 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -77.28 -45.06 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.643 -179.66 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.3 -25.13 47.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.95 0.405 . . . . 0.0 110.715 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -80.12 -18.63 49.32 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.776 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.04 141.78 58.04 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.761 0.315 . . . . 0.0 110.917 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.16 -28.91 29.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.782 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.2 p -103.14 140.07 37.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.704 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' ' 9' ' ' LEU . 30.6 m -65.84 -38.68 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.47 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.53 ' O ' HG23 ' A' ' 44' ' ' THR . 4.1 mt-10 -52.28 -27.25 14.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.231 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.81 -38.99 29.91 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.885 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.799 HG13 HD13 ' A' ' 33' ' ' ILE . 76.9 t -73.95 -46.89 44.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.793 0.33 . . . . 0.0 111.251 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.514 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 66.4 m95 -63.54 -29.56 70.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.739 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 40' ' ' GLU . 3.0 p -70.29 -55.86 8.17 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.988 0.423 . . . . 0.0 110.223 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 45' ' ' LEU . 2.0 mm? -55.61 -35.91 66.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.068 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -41.55 89.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.971 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -58.74 -34.04 70.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.953 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.15 -24.0 64.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.439 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.06 HG21 HD12 ' A' ' 20' ' ' LEU . 21.6 mm . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.897 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.7 HD21 ' N ' ' A' ' 38' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.588 0.232 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.537 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -51.98 -51.67 55.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.958 0.409 . . . . 0.0 110.048 179.046 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -50.9 -36.46 38.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.149 0.499 . . . . 0.0 110.199 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.679 ' HB2' ' CD1' ' A' ' 43' ' ' TRP . . . -81.32 -30.89 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.854 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.549 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.82 -37.32 81.61 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.541 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 9.4 pt-20 -77.93 -32.05 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.734 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 7.3 mm-40 -50.76 -49.06 58.94 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.27 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.489 ' O ' HD13 ' A' ' 20' ' ' LEU . . . -73.01 -42.79 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.982 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.899 ' O ' HG23 ' A' ' 21' ' ' VAL . 17.3 mt -55.4 -49.46 72.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.988 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -47.01 88.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.22 -35.35 79.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.249 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.062 HD12 HG21 ' A' ' 49' ' ' ILE . 3.7 mp -64.15 -45.13 89.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.444 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 17' ' ' ILE . 2.3 t -68.35 -30.79 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.934 0.397 . . . . 0.0 111.159 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.45 -24.54 62.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.25 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.2 146.07 36.44 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.89 114.07 1.42 Allowed Glycine 0 C--N 1.338 0.673 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.911 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.1 t -139.58 -158.11 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.255 0.55 . . . . 0.0 112.325 -178.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.863 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -136.36 106.02 6.17 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.263 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.4 mm-40 -34.85 -34.15 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.611 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -51.06 -24.1 3.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.912 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.863 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 35.2 m-85 -70.7 -54.78 10.5 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 27' ' ' GLU . 1.9 p90 -61.38 -24.16 66.29 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.757 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -30.59 33.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.116 0.484 . . . . 0.0 110.068 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.11 -44.59 37.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.855 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.724 HD13 HG13 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -68.27 -45.46 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.413 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.0 -27.26 61.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.01 0.433 . . . . 0.0 110.638 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -75.66 -23.84 56.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.633 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.76 -176.47 0.01 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.987 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.547 ' HA ' HD11 ' A' ' 9' ' ' LEU . 1.1 mptt -139.22 21.36 2.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.977 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.7 ' N ' HD21 ' A' ' 9' ' ' LEU . 39.3 p -149.79 139.61 21.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.652 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 m -60.47 -37.94 76.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.178 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.547 ' O ' HG22 ' A' ' 44' ' ' THR . 5.7 mm-40 -64.08 -25.65 68.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.365 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.503 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -76.18 -42.32 24.22 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.427 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.724 HG13 HD13 ' A' ' 33' ' ' ILE . 76.7 t -79.74 -46.3 22.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.786 0.327 . . . . 0.0 111.312 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.679 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 55.2 m95 -62.93 -30.4 71.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.301 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 40' ' ' GLU . 11.7 t -75.63 -48.56 21.66 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.535 HD22 ' CG2' ' A' ' 33' ' ' ILE . 3.0 mp -57.24 -35.6 69.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.203 0.525 . . . . 0.0 109.63 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -62.77 -39.55 94.54 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.929 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -59.47 -34.34 72.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.04 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.94 -32.51 73.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.285 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.062 HG21 HD12 ' A' ' 20' ' ' LEU . 21.0 mm . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.779 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.688 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.547 0.213 . . . . 0.0 110.99 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.485 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -37.5 -51.56 1.15 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.819 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.36 -36.08 3.99 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.137 0.494 . . . . 0.0 110.679 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.659 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -82.37 -33.78 28.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.656 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.598 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -61.16 -36.45 79.84 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.446 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 2.2 mm-40 -75.66 -31.85 59.94 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.595 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 9.3 mm-40 -53.24 -49.25 67.24 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.587 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.39 -45.23 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.079 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.86 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.6 mt -54.97 -43.61 69.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.864 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -63.68 -47.71 80.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HG3' ' CG ' ' A' ' 46' ' ' LYS . 19.0 mm-40 -68.98 -37.05 78.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.359 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.996 HD12 HG21 ' A' ' 49' ' ' ILE . 3.4 mp -64.74 -45.01 88.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.62 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 17' ' ' ILE . 24.8 t -67.79 -30.86 49.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.982 0.42 . . . . 0.0 111.274 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.4 -24.41 61.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.315 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.61 145.9 35.58 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.96 112.97 1.22 Allowed Glycine 0 C--N 1.336 0.56 0 C-N-CA 120.877 -0.677 . . . . 0.0 111.644 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.888 HG21 ' HG ' ' A' ' 20' ' ' LEU . 15.3 t -135.84 -158.16 0.85 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.172 0.511 . . . . 0.0 112.223 -177.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.891 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -134.6 106.62 7.07 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.776 178.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 3.7 mp0 -34.63 -34.34 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.371 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -49.93 -24.15 2.37 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.891 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 36.5 m-85 -73.48 -54.8 7.39 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 27' ' ' GLU . 1.9 p90 -62.52 -23.94 67.23 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.2 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -81.54 -34.42 31.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.09 0.472 . . . . 0.0 110.185 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -35.77 69.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.827 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.868 HG23 HD22 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -78.65 -44.86 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.556 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.09 -25.66 46.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.78 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -79.19 -23.59 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.756 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.86 133.0 54.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.828 0.347 . . . . 0.0 111.031 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.16 -25.91 58.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.668 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.6 p -104.29 138.82 40.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.869 0.366 . . . . 0.0 110.791 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.688 HG12 ' HA ' ' A' ' 9' ' ' LEU . 28.2 m -66.14 -40.27 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.437 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 44' ' ' THR . 1.2 mt-10 -51.53 -26.63 8.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.179 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.73 -37.3 30.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.799 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.761 HG13 HD13 ' A' ' 33' ' ' ILE . 71.0 t -73.67 -47.04 45.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.745 0.307 . . . . 0.0 111.149 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.496 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 66.1 m95 -62.55 -35.37 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.593 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 40' ' ' GLU . 8.3 p -64.4 -54.92 25.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.023 0.439 . . . . 0.0 110.24 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.868 HD22 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -54.1 -37.88 64.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.127 179.262 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' CG ' ' HG3' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -55.44 -46.06 76.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.121 179.25 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -56.71 -33.9 66.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.863 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.66 -23.8 63.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.512 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.996 HG21 HD12 ' A' ' 20' ' ' LEU . 21.5 mm . . . . . 0 C--N 1.333 -0.128 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.735 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.472 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.707 0.289 . . . . 0.0 111.106 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -45.79 -52.19 11.56 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.079 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -50.6 -34.04 24.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.132 0.491 . . . . 0.0 110.278 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.646 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -81.9 -31.28 31.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.654 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.99 -36.96 78.3 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.373 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.434 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 20.9 pt-20 -78.52 -31.95 47.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.834 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.514 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.0 mm-40 -51.24 -49.26 61.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.322 179.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -74.26 -42.27 59.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.074 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.905 ' O ' HG23 ' A' ' 21' ' ' VAL . 19.3 mt -56.3 -48.52 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.684 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -61.53 -43.09 99.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -73.7 -33.85 64.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.529 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.996 HD12 HG21 ' A' ' 49' ' ' ILE . 3.2 mp -67.51 -37.12 82.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.209 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 17' ' ' ILE . 11.5 t -75.77 -30.72 21.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.017 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.04 -24.37 61.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.943 -0.572 . . . . 0.0 112.053 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 25' ' ' THR . . . -130.89 150.74 51.91 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.858 0.361 . . . . 0.0 111.75 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.6 69.46 0.73 Allowed Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.645 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.3 t -101.78 -143.0 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 122.274 0.23 . . . . 0.0 110.446 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.657 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -131.96 131.4 42.57 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 111.873 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.6 pt-20 -54.18 -33.95 59.32 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.551 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -48.11 -20.85 0.39 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.479 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.657 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 28.8 m-85 -79.08 -46.79 17.36 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.515 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.3 p90 -66.97 -24.26 66.04 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.289 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -32.48 22.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 110.459 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.91 -30.75 62.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.653 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.846 HG23 HD22 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -82.73 -45.01 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.722 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.59 -23.56 41.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 110.891 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -83.13 -21.71 33.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.49 145.41 39.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.702 0.287 . . . . 0.0 110.971 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.7 19.26 11.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.083 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -152.06 136.94 17.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.681 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 9' ' ' LEU . 18.4 m -61.32 -44.77 99.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.593 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.575 ' O ' HG23 ' A' ' 44' ' ' THR . 2.0 mt-10 -51.27 -27.6 9.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.296 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.93 -41.26 23.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.001 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.81 HG13 HD13 ' A' ' 33' ' ' ILE . 76.1 t -72.74 -48.03 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.716 0.294 . . . . 0.0 111.315 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 64.5 m95 -61.36 -33.2 73.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 40' ' ' GLU . 6.6 p -67.01 -54.74 18.79 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.007 0.432 . . . . 0.0 110.188 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.846 HD22 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -52.77 -35.14 55.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.257 179.39 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HA ' HG12 ' A' ' 49' ' ' ILE . 3.4 ttpt -61.42 -45.18 95.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.214 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -33.5 62.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.256 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -69.25 -35.89 76.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.182 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.996 HG21 HD12 ' A' ' 20' ' ' LEU . 19.6 mm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.73 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.526 0.04 0 CA-C-O 120.56 0.219 . . . . 0.0 111.355 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.52 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -35.61 -51.83 0.66 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.327 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -47.27 -37.44 10.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.131 0.491 . . . . 0.0 110.694 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.632 ' HB2' ' CD1' ' A' ' 43' ' ' TRP . . . -82.18 -32.31 30.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.129 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.52 -37.11 77.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.446 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 10.9 pt-20 -78.06 -32.19 50.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.776 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 4.7 mm-40 -50.48 -49.17 56.07 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.242 178.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 -46.42 49.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.902 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.874 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.5 mt -52.5 -44.13 43.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -48.77 71.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.071 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.45 -37.58 83.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.464 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.918 ' HG ' HG21 ' A' ' 25' ' ' THR . 3.4 mp -64.26 -45.19 89.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.616 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 17' ' ' ILE . 26.3 t -67.0 -30.78 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.874 0.369 . . . . 0.0 111.288 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -24.55 60.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.1 146.31 38.72 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.68 112.86 1.15 Allowed Glycine 0 C--N 1.335 0.513 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.784 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.918 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.8 t -138.83 -158.95 0.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.268 0.556 . . . . 0.0 112.056 -178.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.9 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -131.63 100.69 5.21 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.901 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.9 pt-20 -34.84 -34.14 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.596 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -48.87 -24.55 1.5 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.455 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.9 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 17.4 m-85 -71.47 -54.73 9.62 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.8 p90 -61.48 -24.64 66.72 Favored 'General case' 0 N--CA 1.461 0.113 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.995 -179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -28.75 32.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.05 0.452 . . . . 0.0 110.046 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.82 -39.97 29.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.855 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.723 HD13 HG13 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -70.35 -44.97 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.366 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.87 -23.23 42.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.373 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -95.95 -9.56 30.89 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.915 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.63 -26.4 32.66 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 67.23 15.94 10.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.771 0.319 . . . . 0.0 110.649 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.91 145.25 32.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.47 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 40' ' ' GLU . 35.4 m -75.75 -48.29 30.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.77 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 44' ' ' THR . 16.7 mt-10 -59.19 -25.97 64.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 111.431 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.49 -39.4 25.98 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.35 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.723 HG13 HD13 ' A' ' 33' ' ' ILE . 89.9 t -74.42 -46.78 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.821 0.344 . . . . 0.0 111.497 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.632 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 58.4 m95 -62.46 -37.3 85.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.689 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 40' ' ' GLU . 16.4 p -64.99 -53.73 41.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.946 0.403 . . . . 0.0 110.258 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.479 HD23 HG23 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -57.55 -33.16 67.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.367 179.56 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -60.96 -40.88 95.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.324 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.84 -33.81 76.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.376 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.69 -40.49 97.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.582 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.84 HG21 HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.477 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.696 HD21 ' C ' ' A' ' 37' ' ' LYS . 3.3 mt . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.537 0.208 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.512 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 21.9 mmtt -37.71 -51.93 1.25 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.728 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -47.43 -35.3 8.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.182 0.515 . . . . 0.0 110.437 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.667 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -82.65 -33.34 27.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.723 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.586 ' HE3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -60.74 -36.96 80.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.461 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.412 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 4.0 tp10 -77.5 -31.77 53.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.751 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.514 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 12.7 mm-40 -52.64 -49.17 65.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.419 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.41 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -73.99 -41.85 61.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.905 ' O ' HG23 ' A' ' 21' ' ' VAL . 9.9 mt -56.71 -48.99 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -61.68 -40.36 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' CG ' ' A' ' 46' ' ' LYS . 23.4 mm-40 -75.28 -33.93 61.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.485 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.089 HD12 HG21 ' A' ' 49' ' ' ILE . 1.9 mp -66.99 -39.57 87.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 17' ' ' ILE . 4.0 t -74.85 -30.76 24.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.027 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.33 -24.49 63.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.025 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' ' 25' ' ' THR . . . -130.72 150.52 51.86 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.737 0.304 . . . . 0.0 111.795 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.66 67.67 0.28 Allowed Glycine 0 CA--C 1.518 0.223 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.704 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.744 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.6 t -107.14 -175.58 2.83 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 122.532 0.333 . . . . 0.0 110.835 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.468 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -89.84 161.45 15.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.372 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 1.5 pm0 -85.31 -33.96 21.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.969 0.414 . . . . 0.0 111.551 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -42.83 -35.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.909 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.502 ' CD2' HD12 ' A' ' 49' ' ' ILE . 36.0 m-85 -55.52 -54.62 41.69 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.49 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.5 p90 -65.07 -24.02 67.34 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.995 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 2.1 mtmp? -83.83 -33.13 24.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.01 0.433 . . . . 0.0 110.473 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mt -78.47 -32.53 48.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.124 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.778 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -79.87 -46.26 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.638 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.44 -25.9 27.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.881 0.372 . . . . 0.0 110.696 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -77.89 -28.59 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.562 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.01 133.62 56.27 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.944 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.696 ' C ' HD21 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -86.12 -7.31 58.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.924 179.568 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.5 p -110.85 137.85 47.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.817 0.341 . . . . 0.0 110.377 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 40' ' ' GLU . 27.4 m -67.37 -43.41 87.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.34 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 44' ' ' THR . 1.1 pt-20 -55.03 -24.24 23.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.412 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -76.84 -43.36 18.06 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.216 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.778 HG13 HD13 ' A' ' 33' ' ' ILE . 73.6 t -71.48 -45.88 66.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.631 0.253 . . . . 0.0 111.426 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.514 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 62.5 m95 -63.78 -33.25 75.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.861 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 40' ' ' GLU . 3.1 p -66.28 -55.82 14.21 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.95 0.405 . . . . 0.0 110.232 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 45' ' ' LEU . 3.0 mm? -53.86 -35.54 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.081 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' CG ' ' HG3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -58.62 -42.16 87.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.031 179.087 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -59.14 -33.43 70.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.079 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -68.96 -24.89 64.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.644 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.089 HG21 HD12 ' A' ' 20' ' ' LEU . 12.0 mm . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.041 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 120.664 0.269 . . . . 0.0 111.415 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.502 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 26.3 mmtp -37.74 -51.78 1.26 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.907 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -37.55 12.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.004 0.431 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.704 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -84.5 -36.97 21.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.049 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -60.05 -36.68 77.84 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.301 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -76.32 -31.87 58.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.934 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.485 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 7.3 mm-40 -53.51 -49.61 67.2 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.508 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.47 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -75.23 -42.76 54.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.881 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.871 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.5 mt -57.79 -46.54 87.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.298 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -58.91 -44.69 91.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -72.48 -34.24 67.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.831 ' CD1' HG21 ' A' ' 49' ' ' ILE . 4.4 mp -73.47 -24.46 60.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 17' ' ' ILE . 93.7 t -80.96 -30.94 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.91 0.386 . . . . 0.0 110.54 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.73 -24.55 53.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.319 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.506 ' O ' HG22 ' A' ' 25' ' ' THR . . . -134.58 155.44 50.42 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.987 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.86 -52.33 51.61 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.839 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.673 HG21 ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 35.79 -104.83 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 179.559 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.99 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . 177.6 128.27 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.923 0.392 . . . . 0.0 111.265 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 2.2 pt-20 -56.5 -34.07 66.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.975 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.66 -22.9 0.33 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.99 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 25.3 m-85 -81.19 -54.08 5.82 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -57.31 -24.15 53.17 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.164 -179.398 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.67 -32.16 23.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.021 0.439 . . . . 0.0 110.336 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -29.36 61.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.794 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.79 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -85.59 -44.63 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.679 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.68 -25.11 38.06 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.854 0.359 . . . . 0.0 110.924 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -80.56 -19.96 44.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.9 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.66 109.91 6.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.173 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 13.3 mttm -59.6 -20.71 57.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.986 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.3 p -94.78 140.3 30.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.854 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 40' ' ' GLU . 32.3 m -73.83 -41.96 53.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.359 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.606 ' O ' HG22 ' A' ' 44' ' ' THR . 7.4 pt-20 -55.21 -23.93 24.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.494 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.35 -35.77 32.51 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.307 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.79 HG13 HD13 ' A' ' 33' ' ' ILE . 79.3 t -78.75 -42.89 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.674 0.273 . . . . 0.0 111.417 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.511 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 65.1 m95 -68.69 -30.28 68.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.369 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 40' ' ' GLU . 8.9 t -75.38 -51.21 13.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.168 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.786 HD23 HG23 ' A' ' 33' ' ' ILE . 10.7 tp -59.39 -32.72 70.41 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -38.5 91.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.915 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -60.72 -37.67 82.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.856 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -63.32 -37.85 88.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.248 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.831 HG21 ' CD1' ' A' ' 20' ' ' LEU . 21.4 mm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.757 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.801 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.669 0.271 . . . . 0.0 110.924 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -42.7 -51.96 5.1 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 179.748 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -47.42 -34.94 7.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.12 0.486 . . . . 0.0 110.389 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.674 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -83.15 -33.19 26.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.669 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.53 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.24 -37.17 79.54 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.363 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 19.5 tp10 -77.77 -31.8 52.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.82 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.491 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 11.2 mm-40 -52.23 -49.27 64.31 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.422 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.88 -42.0 61.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.055 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.876 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.9 mt -53.87 -48.24 62.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.826 0.346 . . . . 0.0 110.68 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -45.12 93.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.27 -35.12 73.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.445 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.681 ' HA ' HG21 ' A' ' 25' ' ' THR . 3.2 mp -68.5 -38.2 80.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.422 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 17' ' ' ILE . 22.0 t -74.56 -30.75 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.068 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -72.06 -24.58 61.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.036 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.584 ' O ' HG22 ' A' ' 25' ' ' THR . . . -134.23 147.87 50.76 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 112.012 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.34 69.26 0.51 Allowed Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.463 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.74 HG21 HD11 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -94.81 -97.65 0.16 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.211 0.204 . . . . 0.0 111.209 -179.609 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.978 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -178.71 126.21 0.1 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.79 0.328 . . . . 0.0 111.114 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.2 pt-20 -53.25 -34.19 56.15 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -50.4 -19.57 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.978 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 33.9 m-85 -82.26 -42.92 18.23 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.4 p90 -69.8 -24.09 63.43 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.947 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.35 -35.6 27.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.094 0.473 . . . . 0.0 110.142 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 32' ' ' LEU . 4.6 mt -71.15 -38.45 72.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.812 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.828 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -75.06 -43.4 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.549 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.69 -24.39 34.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.895 0.378 . . . . 0.0 110.861 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -81.83 -21.77 37.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.846 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.74 136.47 58.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.723 0.296 . . . . 0.0 110.96 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -77.91 -27.68 49.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.9 p -107.1 138.11 43.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.801 HG12 ' HA ' ' A' ' 9' ' ' LEU . 29.7 m -63.63 -40.39 88.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.406 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 44' ' ' THR . 0.2 OUTLIER -49.77 -28.22 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.374 . . . . 0.0 111.252 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.03 -37.87 31.71 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.007 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.828 HG13 HD13 ' A' ' 33' ' ' ILE . 79.4 t -75.33 -46.9 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.76 0.314 . . . . 0.0 111.249 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.584 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 63.3 m95 -63.37 -29.66 70.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.674 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 40' ' ' GLU . 8.4 p -73.4 -38.42 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.022 0.439 . . . . 0.0 110.215 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.43 HD22 ' CG2' ' A' ' 33' ' ' ILE . 1.9 mp -75.27 -29.0 60.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.643 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -71.14 -30.57 66.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.867 0.365 . . . . 0.0 110.333 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -76.41 -39.52 53.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.009 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -37.8 80.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.309 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.74 HD11 HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.634 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.768 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.585 0.231 . . . . 0.0 111.572 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.53 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 1.1 pmtt? -39.88 -51.86 2.42 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.642 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -36.58 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.15 0.5 . . . . 0.0 110.466 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.653 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -79.03 -30.2 44.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.444 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.53 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -59.92 -37.12 78.55 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.189 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 7.6 tp10 -77.42 -31.76 54.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.761 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 9.7 mm-40 -52.21 -48.92 64.83 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.187 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 46' ' ' LYS . . . -71.52 -44.35 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.775 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.879 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.2 mm -52.88 -44.09 48.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.624 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -49.0 72.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.77 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.14 -34.63 78.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.904 HD12 HG21 ' A' ' 49' ' ' ILE . 3.3 mp -67.54 -45.2 76.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.517 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 17' ' ' ILE . 20.8 t -69.38 -30.81 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.877 0.37 . . . . 0.0 111.503 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -74.09 -24.4 59.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.323 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.9 146.78 39.69 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.13 115.78 2.59 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.642 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.901 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.6 t -140.75 -155.27 0.57 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.197 0.522 . . . . 0.0 112.4 -178.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.788 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -139.98 107.42 5.56 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.757 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -34.8 -34.12 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.127 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.45 -24.92 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.788 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 37.6 m-85 -71.26 -54.8 9.66 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.6 p90 -60.42 -24.02 64.83 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.872 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -82.0 -34.77 29.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.132 0.491 . . . . 0.0 110.051 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.13 -44.55 62.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.803 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -69.67 -42.58 80.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.427 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.6 -23.62 51.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.961 0.41 . . . . 0.0 110.863 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -83.15 -21.05 33.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.646 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -58.58 145.22 40.2 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.808 0.337 . . . . 0.0 111.047 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -29.59 26.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.256 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.6 p -107.99 139.07 43.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.768 HG12 ' HA ' ' A' ' 9' ' ' LEU . 27.4 m -63.08 -36.97 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.333 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 44' ' ' THR . 6.8 mt-10 -51.92 -28.11 15.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.208 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.8 -34.24 43.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.91 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.803 HG13 HD13 ' A' ' 33' ' ' ILE . 94.1 t -79.05 -44.52 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.811 0.339 . . . . 0.0 111.244 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 67.5 m95 -65.97 -26.48 67.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.816 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 40' ' ' GLU . 14.2 p -78.52 -43.97 25.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.429 179.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.596 HD22 HG23 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -66.28 -43.93 84.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.745 179.764 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -61.6 -38.56 88.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.099 179.711 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -58.83 -37.8 77.25 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.71 -26.04 68.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.03 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.904 HG21 HD12 ' A' ' 20' ' ' LEU . 17.7 mm . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.522 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.581 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.539 0.209 . . . . 0.0 110.987 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.544 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 11.1 mttp -35.17 -51.69 0.56 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.062 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.45 -38.75 2.95 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.215 0.531 . . . . 0.0 110.599 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.748 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -79.79 -37.09 35.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.735 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.641 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -54.91 -36.32 65.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.432 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.419 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 5.8 tp10 -77.75 -31.8 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.835 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 7.2 mm-40 -53.36 -49.95 66.09 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.768 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.733 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -80.24 -43.34 21.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.872 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.861 ' O ' HG23 ' A' ' 21' ' ' VAL . 6.6 mt -54.1 -43.15 58.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.294 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -65.36 -49.71 68.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.428 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.46 -39.9 94.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.287 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.944 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.2 mp -65.76 -45.19 83.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.706 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 17' ' ' ILE . 33.9 t -68.59 -30.69 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.904 0.383 . . . . 0.0 111.184 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.05 -24.5 61.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.143 -179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.49 145.44 36.9 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.6 113.26 1.47 Allowed Glycine 0 C--N 1.336 0.551 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.904 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.944 HG21 ' HG ' ' A' ' 20' ' ' LEU . 11.9 t -137.09 -160.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.353 0.597 . . . . 0.0 112.185 -177.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.957 ' HB3' ' CZ ' ' A' ' 29' ' ' TYR . . . -125.91 103.52 7.81 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.613 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 5.4 pt-20 -34.68 -34.29 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.682 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -48.51 -23.54 1.01 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.957 ' CZ ' ' HB3' ' A' ' 26' ' ' ALA . 2.4 m-30 -74.45 -54.74 6.97 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.4 p90 -62.37 -24.08 67.16 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.398 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -82.25 -26.2 33.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 0.0 110.456 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -33.39 30.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.903 HG23 HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -77.34 -44.99 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.377 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.75 -24.74 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -81.46 -25.91 35.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.96 123.86 20.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.049 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -65.2 -29.27 70.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.6 p -97.74 140.27 32.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 9' ' ' LEU . 23.5 m -70.8 -34.97 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.273 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.574 ' O ' HG23 ' A' ' 44' ' ' THR . 3.7 mm-40 -53.52 -25.87 18.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.46 -35.46 36.95 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.495 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.748 HG11 ' C ' ' A' ' 12' ' ' ALA . 93.4 t -75.15 -48.62 31.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.321 -0.44 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.491 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 75.4 m95 -62.11 -30.48 71.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.436 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 40' ' ' GLU . 5.4 p -68.0 -51.67 44.53 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.903 HD22 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.12 -31.79 69.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.686 178.795 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 3.5 ttpt -61.18 -34.84 75.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.589 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -67.7 -29.89 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.621 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -53.19 38.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.527 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.47 ' O ' HD12 ' A' ' 49' ' ' ILE . 2.0 tp . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.843 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 37' ' ' LYS . 8.0 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.681 0.276 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.469 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -39.82 -52.03 2.37 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.038 -179.331 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -53.99 -35.29 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.666 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -84.71 -34.01 23.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.276 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.03 -36.97 80.95 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.425 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.452 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 23.8 tt0 -76.83 -33.5 57.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.518 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.481 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.0 mm-40 -50.27 -49.12 54.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.262 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.26 -47.17 52.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.918 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.6 mt -54.89 -42.54 63.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -48.27 77.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -69.87 -33.9 72.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.288 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.059 HD12 HG21 ' A' ' 49' ' ' ILE . 3.3 mp -67.17 -45.14 77.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.604 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 17' ' ' ILE . 24.2 t -69.08 -30.65 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.841 0.353 . . . . 0.0 111.374 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.71 -24.47 59.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.283 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.24 146.71 38.99 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.1 115.37 2.33 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.006 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.938 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.5 t -140.62 -157.59 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.351 0.596 . . . . 0.0 111.985 -177.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.878 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -134.18 104.01 6.01 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.074 -0.967 . . . . 0.0 109.776 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -34.79 -34.33 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.6 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -51.56 -23.17 3.85 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.878 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 35.8 m-85 -69.36 -54.77 12.81 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.512 ' HA ' ' CG1' ' A' ' 33' ' ' ILE . 2.5 p90 -66.5 -23.92 66.32 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.069 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -78.07 -23.49 48.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.041 0.448 . . . . 0.0 110.098 179.115 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.12 -41.97 13.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.325 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.788 HG23 HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -68.62 -43.94 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.809 -179.492 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.65 -23.31 16.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -100.5 0.09 38.9 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.15 76.05 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.704 ' HA ' HD11 ' A' ' 9' ' ' LEU . 9.1 mmmm 76.52 7.29 3.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.019 0.438 . . . . 0.0 110.858 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.4 p -137.0 139.65 41.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.188 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 40' ' ' GLU . 27.5 m -70.4 -48.3 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.595 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.565 ' O ' HG23 ' A' ' 44' ' ' THR . 2.7 mt-10 -58.46 -25.09 61.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.247 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.2 -42.71 18.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.423 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.763 HG13 HD13 ' A' ' 33' ' ' ILE . 69.8 t -72.35 -47.22 53.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.788 0.328 . . . . 0.0 111.238 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.578 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 57.8 m95 -61.28 -38.4 86.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.82 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 40' ' ' GLU . 12.9 p -63.82 -50.81 67.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.977 0.417 . . . . 0.0 110.155 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.788 HD22 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -55.67 -38.0 69.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.222 179.372 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -45.82 82.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.211 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -57.97 -31.39 66.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.112 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.27 -23.84 62.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.583 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.059 HG21 HD12 ' A' ' 20' ' ' LEU . 19.2 mm . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.682 0.277 . . . . 0.0 110.724 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.499 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -41.08 -51.91 3.29 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.752 -179.614 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -36.3 25.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.02 0.438 . . . . 0.0 110.625 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.684 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -85.45 -37.69 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.257 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.07 -36.92 75.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.433 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -77.36 -31.98 54.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.667 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.497 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 8.9 mm-40 -53.0 -49.58 65.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.637 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -76.02 -38.06 57.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.196 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.671 ' O ' HG22 ' A' ' 21' ' ' VAL . 13.4 mt -59.37 -49.96 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.685 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -61.41 -41.75 97.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.644 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 15' ' ' GLU . 12.7 mm-40 -72.16 -33.91 68.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.266 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.073 HD12 HG21 ' A' ' 49' ' ' ILE . 2.7 mp -63.64 -45.12 91.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.771 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -71.08 -30.89 42.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.966 0.412 . . . . 0.0 110.723 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.31 -24.57 66.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.896 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.48 ' O ' HG22 ' A' ' 25' ' ' THR . . . -133.7 151.16 51.56 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.86 0.362 . . . . 0.0 111.849 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.76 68.62 0.29 Allowed Glycine 0 C--O 1.237 0.296 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.56 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.701 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.7 t -106.03 -161.84 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.681 0.276 . . . . 0.0 110.693 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.574 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -108.02 152.31 24.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.742 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -77.66 -34.47 53.07 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.991 0.424 . . . . 0.0 111.832 -179.657 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -45.53 -30.51 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.482 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 27.2 m-85 -61.94 -54.58 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.2 p90 -60.76 -24.25 65.6 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.676 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -84.06 -35.38 23.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.04 0.448 . . . . 0.0 110.296 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -30.88 64.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.774 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -84.25 -45.17 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.69 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.24 -26.22 38.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.908 0.385 . . . . 0.0 110.861 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -78.85 -20.33 49.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.862 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.62 110.56 8.0 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.154 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 2.3 pttt -59.28 -21.25 59.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.891 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.8 p -95.08 139.63 31.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.43 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.4 m -73.75 -40.02 53.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.228 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.631 ' O ' HG22 ' A' ' 44' ' ' THR . 66.6 mt-10 -54.5 -26.76 33.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.197 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.509 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -77.24 -34.21 41.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.147 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.774 HG13 HD13 ' A' ' 33' ' ' ILE . 77.9 t -79.47 -43.53 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.748 0.308 . . . . 0.0 111.328 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.497 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 63.5 m95 -66.06 -33.76 76.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.946 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 40' ' ' GLU . 5.7 t -71.27 -49.24 45.03 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.99 0.424 . . . . 0.0 109.905 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.4 mm? -56.36 -34.06 66.29 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.794 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.49 -39.08 93.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.775 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.19 -34.76 70.7 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.887 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.38 -40.36 89.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.869 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.073 HG21 HD12 ' A' ' 20' ' ' LEU . 24.3 mm . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.729 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.637 0.256 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.454 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -38.76 -42.89 0.86 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.278 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.9 -43.96 63.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.242 0.544 . . . . 0.0 110.212 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.646 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -75.79 -30.31 59.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.065 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -57.85 -36.7 72.68 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.467 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.506 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 4.9 tp10 -78.68 -31.84 46.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.901 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.492 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 4.5 mm-40 -51.85 -49.3 63.14 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.418 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.406 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -74.79 -43.84 52.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.058 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.861 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.0 mt -54.73 -45.81 73.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.67 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -47.04 83.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.799 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.74 -36.54 80.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.365 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.915 ' HG ' HG21 ' A' ' 25' ' ' THR . 3.1 mp -66.78 -45.19 79.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.658 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 17' ' ' ILE . 22.4 t -67.69 -30.78 49.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.857 0.36 . . . . 0.0 111.436 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -24.49 59.1 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.47 146.67 40.32 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.33 113.57 1.55 Allowed Glycine 0 C--N 1.337 0.591 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.933 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.915 HG21 ' HG ' ' A' ' 20' ' ' LEU . 13.9 t -139.47 -155.13 0.56 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.189 0.519 . . . . 0.0 112.091 -178.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.888 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -135.1 102.12 5.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.777 178.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.8 pm0 -34.91 -34.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.696 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -49.97 -24.75 2.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.495 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.888 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 18.4 m-85 -69.98 -54.81 11.58 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.479 ' HA ' ' CG1' ' A' ' 33' ' ' ILE . 1.9 p90 -61.84 -25.59 67.61 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.968 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -80.84 -26.36 37.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.087 0.47 . . . . 0.0 110.059 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 mt -82.56 -41.15 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.798 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -68.63 -44.27 82.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.317 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.51 -23.27 62.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.327 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -94.11 -12.71 27.86 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.812 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.94 -24.68 9.82 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.43 16.36 10.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.382 . . . . 0.0 110.553 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.23 159.6 42.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.425 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 40' ' ' GLU . 34.0 m -88.82 -46.2 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.858 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 44' ' ' THR . 8.9 pt-20 -58.86 -24.17 61.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.733 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.37 -41.03 14.17 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.978 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.798 HG13 HD13 ' A' ' 33' ' ' ILE . 88.9 t -72.44 -48.33 48.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.737 0.303 . . . . 0.0 111.071 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.586 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 64.7 m95 -62.54 -30.52 71.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.636 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 40' ' ' GLU . 1.3 p -66.07 -50.36 64.4 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.784 HD22 HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -61.9 -29.87 70.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.721 178.739 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.418 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.86 -31.75 72.04 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.71 178.852 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -71.3 -35.59 71.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.474 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -63.23 -53.12 58.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.218 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.723 HG12 HD12 ' A' ' 20' ' ' LEU . 4.0 tp . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.94 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.484 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.555 0.217 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.546 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -39.44 -52.23 2.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.528 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -44.9 -34.54 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.217 0.532 . . . . 0.0 110.361 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.723 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -82.19 -37.77 25.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.496 179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.667 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -55.24 -36.58 66.19 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.403 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.435 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 16.3 tt0 -78.38 -31.89 48.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.595 178.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.526 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 5.9 mm-40 -51.97 -49.61 62.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.794 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.63 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -76.91 -38.96 52.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.07 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.607 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.5 mt -57.38 -47.87 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.228 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -62.94 -39.9 96.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.78 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 6.4 mm-40 -72.48 -33.77 67.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.071 HD12 HG21 ' A' ' 49' ' ' ILE . 3.9 mp -62.28 -45.29 93.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.551 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -73.8 -31.02 30.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 0.0 110.998 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -67.41 -24.37 65.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.809 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 25' ' ' THR . . . -135.08 146.57 49.03 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 111.907 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.65 82.94 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.042 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.728 HG21 ' HA ' ' A' ' 20' ' ' LEU . 6.8 t -118.72 -143.1 0.36 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 122.454 0.301 . . . . 0.0 110.87 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.85 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -127.07 163.94 22.66 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 120.659 0.266 . . . . 0.0 110.678 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.496 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 4.0 pt-20 -85.3 -38.53 18.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.643 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -45.55 -29.37 1.15 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.55 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.85 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 31.6 m-85 -61.24 -51.63 68.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.793 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.517 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.7 p90 -65.59 -24.29 67.04 Favored 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.687 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HD3' ' CE1' ' A' ' 30' ' ' PHE . 8.2 mtpt -80.94 -27.93 35.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.119 0.485 . . . . 0.0 110.496 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.19 -42.37 19.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.059 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.675 ' HB ' HG13 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -69.23 -44.23 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.469 -179.65 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.68 -30.14 69.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.966 0.412 . . . . 0.0 110.631 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -72.82 -26.25 61.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.615 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.49 157.7 8.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.856 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -102.25 -23.83 13.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.0 p -107.73 137.68 45.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.859 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 9' ' ' LEU . 35.7 m -60.88 -37.2 76.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.332 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 44' ' ' THR . 5.9 mm-40 -53.87 -27.66 31.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.273 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.58 -39.26 41.79 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.753 . . . . 0.0 111.884 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.723 HG11 ' C ' ' A' ' 12' ' ' ALA . 96.5 t -76.45 -46.52 31.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.426 -0.387 . . . . 0.0 111.565 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 73.5 m95 -63.98 -24.43 67.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.025 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 40' ' ' GLU . 6.9 p -77.54 -52.62 8.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.161 0.505 . . . . 0.0 109.956 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.605 HD22 HG23 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -59.62 -45.05 93.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.536 179.555 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.491 ' HG2' ' HA ' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -58.63 -36.18 73.68 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.114 179.53 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.01 -31.61 70.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.167 0.508 . . . . 0.0 109.77 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -76.99 -23.8 52.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.593 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.071 HG21 HD12 ' A' ' 20' ' ' LEU . 32.3 mm . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.535 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.765 0.317 . . . . 0.0 110.755 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.588 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 6.2 mttt -35.4 -40.93 0.16 Allowed 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.709 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.26 -49.97 31.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.48 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.652 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -69.56 -27.69 65.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.904 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.798 ' HE3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -59.67 -36.1 75.77 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.273 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.478 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 18.0 tt0 -78.78 -31.98 46.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.589 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.533 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -51.44 -49.17 62.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.359 179.201 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.429 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -75.2 -47.27 29.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.936 179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.83 ' O ' HG23 ' A' ' 21' ' ' VAL . 28.9 mt -54.31 -43.89 63.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.25 -48.94 73.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.83 -36.35 82.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.335 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.055 HD12 HG21 ' A' ' 49' ' ' ILE . 2.7 mp -67.16 -45.25 77.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.783 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 17' ' ' ILE . 31.8 t -68.72 -30.75 48.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.841 0.353 . . . . 0.0 111.249 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.17 -24.52 60.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.302 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.39 146.61 38.6 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.65 115.1 2.03 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.824 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.932 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.2 t -141.23 -156.11 0.65 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.861 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -133.35 102.37 5.52 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.102 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.455 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -35.26 -34.06 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.982 0.801 . . . . 0.0 112.618 -179.11 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -22.98 1.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.861 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 9.9 m-85 -74.15 -54.63 7.36 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.9 p90 -62.66 -24.12 67.46 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.256 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -81.73 -23.63 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.987 0.422 . . . . 0.0 110.547 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.408 ' HA ' ' ND2' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -86.32 -29.41 23.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.199 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.862 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -83.17 -42.84 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.801 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.81 -23.63 19.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.724 0.297 . . . . 0.0 111.431 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' A' ' 32' ' ' LEU . 23.4 p30 -85.06 -24.0 28.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.407 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.14 116.9 3.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.843 0.354 . . . . 0.0 111.278 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -59.77 -31.17 69.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.536 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.65 143.62 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.54 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 9' ' ' LEU . 33.5 m -75.72 -41.5 40.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.362 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.425 ' N ' HG23 ' A' ' 39' ' ' VAL . 36.7 mt-10 -53.5 -24.69 13.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.316 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.423 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -75.23 -38.93 38.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.002 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.862 HG13 HD13 ' A' ' 33' ' ' ILE . 70.1 t -70.03 -43.64 79.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.824 0.345 . . . . 0.0 111.26 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.533 ' CZ2' ' HG2' ' A' ' 15' ' ' GLU . 70.0 m95 -65.17 -36.02 82.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.753 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -56.06 18.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.93 0.395 . . . . 0.0 110.419 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 41' ' ' GLY . 3.1 mm? -53.01 -37.7 61.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.326 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -61.54 -42.49 98.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.143 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -54.86 -34.07 62.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.984 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -71.3 -31.9 67.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.259 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.055 HG21 HD12 ' A' ' 20' ' ' LEU . 30.1 mm . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.03 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.633 0.254 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 11.2 mptt -35.83 -47.71 0.52 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.65 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -48.32 38.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.813 0.339 . . . . 0.0 110.479 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.666 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -68.33 -27.89 66.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.653 179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -60.72 -35.94 77.59 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.285 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.452 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 3.8 mt-10 -76.49 -33.36 58.66 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.519 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -51.18 -49.08 61.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.599 179.386 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.78 -42.39 61.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.9 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.6 mm -56.82 -48.74 80.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.777 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -60.94 -44.11 97.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.58 -33.88 67.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.442 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.061 HD12 HG21 ' A' ' 49' ' ' ILE . 3.4 mp -67.52 -40.48 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.36 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 17' ' ' ILE . 9.9 t -72.5 -30.77 35.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.112 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -24.47 61.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.155 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.517 ' O ' HG22 ' A' ' 25' ' ' THR . . . -131.52 149.71 52.42 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.948 0.404 . . . . 0.0 111.87 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.84 68.72 0.43 Allowed Glycine 0 CA--C 1.517 0.162 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.659 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.648 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.2 t -104.22 -162.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 122.416 0.287 . . . . 0.0 110.578 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.558 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -106.07 133.55 50.61 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 120.772 0.32 . . . . 0.0 111.376 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.505 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -59.14 -34.18 71.76 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.743 -179.839 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -43.87 -36.28 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.904 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.503 ' HB2' HD21 ' A' ' 20' ' ' LEU . 38.6 m-85 -57.1 -54.51 45.98 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.486 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.5 p90 -62.02 -24.2 66.91 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.733 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.62 -32.56 23.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.07 0.462 . . . . 0.0 110.423 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -29.85 45.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.127 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.866 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -83.12 -44.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.65 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.04 -23.62 55.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.92 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -82.08 -24.08 35.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.426 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -62.54 130.71 46.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.805 0.336 . . . . 0.0 110.97 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -77.35 -7.31 55.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.032 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.5 p -117.58 140.36 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 40' ' ' GLU . 35.1 m -68.36 -42.73 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.252 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 39' ' ' VAL . 3.7 mm-40 -54.11 -24.69 18.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -76.48 -40.77 26.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.067 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.866 HG13 HD13 ' A' ' 33' ' ' ILE . 79.0 t -70.68 -45.8 72.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.754 0.311 . . . . 0.0 111.278 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.519 ' CZ2' ' HG2' ' A' ' 15' ' ' GLU . 70.8 m95 -64.24 -36.2 83.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.801 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 40' ' ' GLU . 1.7 p -62.51 -56.15 20.77 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.98 0.419 . . . . 0.0 110.223 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 45' ' ' LEU . 3.2 mm? -57.5 -35.1 69.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.111 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -45.26 95.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.113 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -36.09 65.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.015 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -36.24 83.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.123 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.061 HG21 HD12 ' A' ' 20' ' ' LEU . 11.3 mm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.062 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 120.476 0.179 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.534 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -35.36 -49.58 0.52 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.841 -179.558 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -43.54 -38.76 3.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.027 0.442 . . . . 0.0 110.755 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.651 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -80.66 -32.88 35.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.833 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.7 -36.78 77.22 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.382 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -77.22 -31.85 55.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.768 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.521 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.5 mm-40 -51.92 -49.15 63.66 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.336 179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.465 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.76 -42.35 61.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.078 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.914 ' O ' HG23 ' A' ' 21' ' ' VAL . 30.9 mt -56.45 -47.42 81.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.617 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -45.24 95.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.787 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.58 -35.41 70.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.29 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.081 HD12 HG21 ' A' ' 49' ' ' ILE . 4.5 mp -67.96 -36.44 80.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.31 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 17' ' ' ILE . 27.1 t -73.44 -30.6 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.89 0.376 . . . . 0.0 110.747 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.47 -24.72 61.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.983 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 25' ' ' THR . . . -137.71 146.46 43.78 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.94 0.4 . . . . 0.0 111.979 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.25 65.15 0.75 Allowed Glycine 0 C--O 1.227 -0.33 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.493 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.588 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.4 -89.85 0.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.415 0.15 . . . . 0.0 111.232 -179.762 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.954 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . 179.23 122.01 0.05 Allowed 'General case' 0 C--O 1.225 -0.203 0 CA-C-O 120.782 0.325 . . . . 0.0 111.083 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.49 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -48.79 -46.96 42.28 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.945 -179.363 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HE3' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -37.33 -39.96 0.32 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -179.008 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.954 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 32.8 m-85 -56.89 -51.97 66.98 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.1 p90 -65.31 -24.15 67.2 Favored 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 120.306 -0.557 . . . . 0.0 111.035 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.76 -33.71 24.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.059 0.456 . . . . 0.0 110.291 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.86 -35.86 64.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.772 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -77.21 -45.09 30.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.525 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.28 -28.72 59.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.993 0.425 . . . . 0.0 110.747 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -74.44 -26.11 59.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.69 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.01 138.97 58.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.902 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 13.05 19.16 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.11 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.8 p -134.4 139.02 45.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.348 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.4 m -68.12 -37.39 78.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.258 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 44' ' ' THR . 10.3 mt-10 -60.73 -25.47 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.74 -40.67 25.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.157 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.772 HG13 HD13 ' A' ' 33' ' ' ILE . 86.5 t -73.78 -47.39 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.718 0.294 . . . . 0.0 111.424 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 61.0 m95 -63.3 -29.72 70.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.695 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 40' ' ' GLU . 3.0 p -69.49 -55.52 9.99 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.022 0.439 . . . . 0.0 110.102 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.46 -36.88 67.05 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.16 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -39.82 92.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.039 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -58.96 -32.86 70.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.14 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -70.4 -32.96 70.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.2 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.081 HG21 HD12 ' A' ' 20' ' ' LEU . 17.6 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.955 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.862 0.363 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER 60.39 -179.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.441 ' H ' HG22 ' A' ' 2' ' ' THR . 1.3 m-85 -59.81 -61.14 2.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.23 171.25 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -99.73 117.78 34.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.018 0.437 . . . . 0.0 110.663 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.7 tp -90.21 137.98 20.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.33 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.73 121.4 36.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -165.63 151.08 9.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.401 0.619 . . . . 0.0 111.173 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.71 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -59.37 -30.78 68.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.078 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.52 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -35.52 -51.7 0.64 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.062 -179.664 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -37.99 4.84 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.052 0.453 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.656 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -80.86 -32.4 35.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.723 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.64 -36.86 77.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 18.5 tt0 -77.33 -32.35 55.18 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.632 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 6.1 mm-40 -51.74 -49.13 63.17 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.398 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.36 -44.12 59.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.01 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.879 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.1 mm -54.41 -43.81 64.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.525 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -63.73 -48.04 78.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.644 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -67.19 -36.26 81.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.069 HD12 HG21 ' A' ' 49' ' ' ILE . 3.4 mp -66.25 -45.21 81.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.527 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 17' ' ' ILE . 21.8 t -68.31 -30.82 49.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.869 0.366 . . . . 0.0 111.395 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.49 -24.39 60.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.299 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.91 146.03 36.89 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.89 114.45 1.82 Allowed Glycine 0 C--N 1.336 0.581 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.632 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.902 HG21 ' HG ' ' A' ' 20' ' ' LEU . 15.1 t -138.14 -159.35 0.95 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.164 0.507 . . . . 0.0 112.358 -177.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.865 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -133.63 105.07 6.65 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.254 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -34.73 -34.31 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.028 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -48.55 -25.68 1.83 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.637 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.865 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 29.7 m-85 -71.47 -54.84 9.27 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.4 p90 -60.76 -24.16 65.53 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.967 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.49 -32.53 28.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.084 0.469 . . . . 0.0 110.128 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.57 -40.31 61.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.937 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.773 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -73.36 -44.36 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.433 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.55 -25.87 60.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.887 0.375 . . . . 0.0 110.764 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -78.7 -24.1 45.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.807 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.91 136.91 58.22 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.85 0.357 . . . . 0.0 111.067 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -27.45 50.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.1 p -104.06 139.25 39.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.601 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 9' ' ' LEU . 35.9 m -66.14 -37.18 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.306 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.621 ' O ' HG22 ' A' ' 44' ' ' THR . 7.9 mt-10 -53.32 -27.17 21.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.139 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.28 -31.91 49.98 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.042 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.773 HG13 HD13 ' A' ' 33' ' ' ILE . 92.4 t -81.64 -43.11 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.772 0.32 . . . . 0.0 111.39 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.48 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 65.7 m95 -67.49 -29.14 68.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.01 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 40' ' ' GLU . 8.1 t -77.96 -47.44 18.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.991 0.424 . . . . 0.0 110.083 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.445 HD22 HG23 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.33 -38.17 82.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.961 179.173 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -65.22 -32.96 74.9 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.053 179.383 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 74.6 m-20 -62.21 -34.71 76.99 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -69.35 -28.56 66.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.067 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.069 HG21 HD12 ' A' ' 20' ' ' LEU . 19.9 mm -72.33 -27.84 27.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.6 179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -78.14 -31.9 50.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -94.69 -48.13 6.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.476 ' HE1' HG23 ' A' ' 49' ' ' ILE . 0.3 OUTLIER 55.39 20.24 3.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.473 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.639 HG22 HG13 ' A' ' 54' ' ' VAL . 21.9 m 58.13 -83.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.538 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.639 HG13 HG22 ' A' ' 53' ' ' THR . 15.7 m -110.75 154.35 12.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.734 0.302 . . . . 0.0 110.719 -179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.61 155.06 18.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.801 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.868 0.366 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 m 59.78 30.18 19.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.983 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -154.97 78.28 1.04 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.8 144.94 41.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.599 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -83.73 116.63 22.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.076 0.465 . . . . 0.0 110.442 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.547 HG23 ' O ' ' A' ' 6' ' ' ILE . 9.4 tp -82.59 116.9 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.325 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.44 86.53 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.759 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -149.85 171.79 16.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.948 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.812 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -86.85 -31.06 21.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.014 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 3.9 mmtp -39.77 -51.96 2.34 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.535 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -48.13 -37.36 15.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.181 0.515 . . . . 0.0 110.461 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.64 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -80.37 -31.54 37.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.678 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -61.2 -36.68 80.53 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.322 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' HG2' ' HD2' ' A' ' 13' ' ' LYS . 7.0 mm-40 -76.06 -31.8 58.97 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.648 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.482 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 8.6 mm-40 -53.15 -49.26 66.96 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.568 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 46' ' ' LYS . . . -73.31 -42.36 62.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.964 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.611 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.8 mt -55.9 -46.9 80.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.592 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.9 -51.41 69.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.179 0.514 . . . . 0.0 110.412 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.92 -39.23 88.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.425 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.998 HD12 HG21 ' A' ' 49' ' ' ILE . 3.3 mp -60.41 -25.57 66.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.405 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 17' ' ' ILE . 0.5 OUTLIER -81.51 -30.95 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.016 0.436 . . . . 0.0 110.253 179.296 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.06 -24.64 66.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.408 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.64 ' O ' HG22 ' A' ' 25' ' ' THR . . . -136.32 151.99 50.19 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.571 0.224 . . . . 0.0 111.567 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.63 -43.78 8.08 Favored Glycine 0 C--N 1.339 0.695 0 C-N-CA 121.019 -0.61 . . . . 0.0 112.312 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.752 HG21 ' HG ' ' A' ' 20' ' ' LEU . 15.0 t 29.93 -148.29 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 178.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 29' ' ' TYR . . . -154.93 131.59 10.63 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.566 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -49.35 -34.13 15.19 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.83 -179.491 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -44.97 -27.48 0.55 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.386 0.514 . . . . 0.0 112.386 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.472 ' CD2' ' O ' ' A' ' 26' ' ' ALA . 26.0 m-85 -72.73 -54.82 7.9 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.1 p90 -60.22 -23.93 64.43 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.14 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.29 -32.45 26.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.035 0.445 . . . . 0.0 110.393 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.57 -29.9 59.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.992 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.784 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -86.64 -44.83 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.791 -179.544 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.4 -24.64 31.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.998 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -80.41 -24.02 39.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.763 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.14 132.06 52.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.874 0.369 . . . . 0.0 110.925 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -24.24 58.09 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.344 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.4 p -105.76 138.73 41.45 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.736 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.812 HG12 ' HA ' ' A' ' 9' ' ' LEU . 29.6 m -66.24 -38.02 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.3 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.532 ' O ' HG23 ' A' ' 44' ' ' THR . 2.1 mp0 -53.01 -27.84 21.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.268 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.79 -34.67 42.51 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.004 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.784 HG13 HD13 ' A' ' 33' ' ' ILE . 81.5 t -78.86 -44.54 25.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.783 0.325 . . . . 0.0 111.266 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.576 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 61.5 m95 -65.28 -29.16 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.766 -179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 40' ' ' GLU . 14.7 p -75.59 -46.8 29.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.512 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD2' HG23 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -63.58 -43.61 96.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.092 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.545 ' HG2' ' HA ' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -62.11 -33.18 73.97 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.114 179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -62.91 -35.78 81.19 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -28.91 69.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.043 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.998 HG21 HD12 ' A' ' 20' ' ' LEU . 38.3 mm -75.97 -37.37 33.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.424 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -32.01 71.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.41 HG22 ' OG1' ' A' ' 53' ' ' THR . 0.8 OUTLIER -98.39 -47.91 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.649 179.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 52.79 22.49 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.504 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.618 HG22 HG23 ' A' ' 54' ' ' VAL . 18.6 m -73.66 -83.64 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.462 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.618 HG23 HG22 ' A' ' 53' ' ' THR . 47.3 t -140.78 -68.6 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 111.159 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.1 m -145.59 165.1 29.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.995 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.519 ' O ' HG23 ' A' ' 1' ' ' THR . 10.6 t . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.847 0.356 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.4 m -138.67 122.99 18.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.33 136.22 50.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.19 140.9 36.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -58.98 100.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.751 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.622 HG23 ' O ' ' A' ' 6' ' ' ILE . 8.3 tp -70.37 70.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.14 140.15 49.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.684 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.12 163.03 15.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.012 0.435 . . . . 0.0 111.289 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.551 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -75.64 -30.49 59.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.028 179.821 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.537 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 12.4 mmtm -35.27 -47.9 0.43 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.319 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -46.11 -34.33 4.12 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.122 0.487 . . . . 0.0 110.728 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.682 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -83.55 -32.44 25.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.633 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.537 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.19 -37.1 81.74 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.199 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 5.8 tp10 -77.26 -31.86 55.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.79 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.486 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 6.6 mm-40 -52.15 -49.18 64.26 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.298 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.491 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.59 -41.59 62.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.097 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.7 mt -55.79 -48.85 77.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.658 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -44.73 96.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.769 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.98 -34.31 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.445 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.143 HD12 HG21 ' A' ' 49' ' ' ILE . 3.4 mp -67.5 -43.11 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.276 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 17' ' ' ILE . 12.2 t -69.05 -30.67 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.16 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.5 -24.43 60.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.338 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.512 ' O ' HG22 ' A' ' 25' ' ' THR . . . -130.92 150.19 52.19 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.974 -179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.99 66.24 0.48 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.701 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.643 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.2 t -102.14 -163.44 1.01 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 122.702 0.401 . . . . 0.0 110.669 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.703 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -101.97 140.28 36.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.686 0.279 . . . . 0.0 110.987 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 6.7 mm-40 -70.28 -34.35 72.68 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.516 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -48.4 -29.04 3.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.649 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.703 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 20.3 m-85 -61.78 -54.47 41.96 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.527 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.5 p90 -61.53 -24.36 66.57 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.593 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -86.27 -30.66 22.14 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.064 0.459 . . . . 0.0 110.402 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 mt -78.93 -29.06 43.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.804 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.805 HD13 HG13 ' A' ' 42' ' ' VAL . 1.2 pp -87.59 -41.24 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.542 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.48 -23.79 17.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.677 0.275 . . . . 0.0 111.467 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -87.04 -18.15 31.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.376 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.44 121.46 12.16 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.73 0.3 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -29.43 70.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.849 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.5 p -98.32 140.17 32.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 9' ' ' LEU . 35.4 m -71.01 -40.31 75.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.299 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 44' ' ' THR . 0.4 OUTLIER -54.25 -25.28 22.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.137 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.83 -37.79 32.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.832 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.805 HG13 HD13 ' A' ' 33' ' ' ILE . 78.9 t -74.88 -47.06 38.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.797 0.332 . . . . 0.0 111.176 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.501 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 64.5 m95 -63.17 -29.17 70.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.581 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 40' ' ' GLU . 3.0 p -70.65 -56.0 7.46 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.016 0.436 . . . . 0.0 110.2 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.589 HD22 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -55.14 -34.77 64.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.064 179.246 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -60.75 -44.5 96.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.046 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.61 -34.7 65.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.075 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -67.81 -36.99 81.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.217 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.143 HG21 HD12 ' A' ' 20' ' ' LEU . 26.6 mm -59.05 -32.09 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.772 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.53 -24.32 24.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.332 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -87.94 -37.27 16.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.305 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -84.79 1.18 47.94 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.178 -179.737 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -79.25 160.16 26.98 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.939 0.399 . . . . 0.0 110.655 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.8 m -124.96 151.08 30.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.068 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -80.96 157.3 25.59 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.139 -0.934 . . . . 0.0 110.822 179.909 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.705 0.288 . . . . 0.0 111.362 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 2' ' ' THR . 19.7 m -95.71 38.83 1.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 0.0 111.023 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -117.21 -38.83 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 108.97 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.523 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -59.81 -45.01 93.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER 43.51 32.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.982 179.735 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 7' ' ' LEU . 14.0 mt -54.77 113.28 1.26 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.029 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -144.63 160.93 40.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.725 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -86.36 -31.18 21.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.881 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -40.17 -51.74 2.64 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.497 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -45.48 -33.68 2.8 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.159 0.504 . . . . 0.0 110.46 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.67 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -84.27 -34.94 23.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.647 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.535 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -59.62 -36.88 77.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.333 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 37.9 tp10 -77.98 -31.79 50.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.735 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.503 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.4 mm-40 -52.05 -49.03 64.26 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.376 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.6 -42.85 60.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.027 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.903 ' O ' HG23 ' A' ' 21' ' ' VAL . 8.9 mt -55.03 -48.38 75.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.702 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.49 -43.32 99.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.056 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -73.17 -34.11 65.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.481 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.06 HD12 HG21 ' A' ' 49' ' ' ILE . 2.9 mp -67.16 -38.71 85.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 111.253 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 17' ' ' ILE . 11.4 t -74.42 -30.84 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.063 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.18 -24.51 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.99 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.485 ' O ' HG22 ' A' ' 25' ' ' THR . . . -132.12 150.59 52.12 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.824 0.345 . . . . 0.0 111.855 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.32 71.0 0.34 Allowed Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.442 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.715 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.6 t -107.08 -164.34 0.98 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.43 0.292 . . . . 0.0 110.885 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.558 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -103.04 143.0 33.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.709 0.29 . . . . 0.0 111.298 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.507 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 1.6 mm-40 -70.17 -35.13 73.77 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.563 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -46.25 -31.44 2.5 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.933 -179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 18.7 m-85 -61.82 -54.53 40.95 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.542 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.3 p90 -61.36 -24.07 66.22 Favored 'General case' 0 C--N 1.334 -0.105 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.779 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.48 -40.41 19.28 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.155 0.503 . . . . 0.0 110.162 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -36.38 80.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.799 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -77.28 -45.06 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.643 -179.66 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.3 -25.13 47.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.95 0.405 . . . . 0.0 110.715 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -80.12 -18.63 49.32 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.776 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.04 141.78 58.04 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.761 0.315 . . . . 0.0 110.917 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.16 -28.91 29.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.782 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.2 p -103.14 140.07 37.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.704 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' ' 9' ' ' LEU . 30.6 m -65.84 -38.68 82.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.47 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.53 ' O ' HG23 ' A' ' 44' ' ' THR . 4.1 mt-10 -52.28 -27.25 14.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.231 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.81 -38.99 29.91 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.885 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.799 HG13 HD13 ' A' ' 33' ' ' ILE . 76.9 t -73.95 -46.89 44.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.793 0.33 . . . . 0.0 111.251 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.514 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 66.4 m95 -63.54 -29.56 70.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.739 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 40' ' ' GLU . 3.0 p -70.29 -55.86 8.17 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.988 0.423 . . . . 0.0 110.223 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 45' ' ' LEU . 2.0 mm? -55.61 -35.91 66.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.068 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -41.55 89.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.971 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -58.74 -34.04 70.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.953 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -69.15 -24.0 64.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.439 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.06 HG21 HD12 ' A' ' 20' ' ' LEU . 21.6 mm -75.03 -34.56 32.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.897 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.78 -31.79 59.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.214 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.41 -47.96 5.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.496 ' HE1' ' HG1' ' A' ' 25' ' ' THR . 0.1 OUTLIER 57.91 19.66 6.0 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.268 179.721 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.556 HG22 ' N ' ' A' ' 54' ' ' VAL . 0.9 OUTLIER 66.77 -66.99 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.78 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.556 ' N ' HG22 ' A' ' 53' ' ' THR . 29.3 m -54.15 172.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.987 0.423 . . . . 0.0 110.883 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.3 m -127.83 -45.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.675 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.599 -179.599 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.835 0.35 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.4 m -91.12 159.8 15.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.16 159.79 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 pttt -59.86 -174.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.567 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -89.3 -38.46 14.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.734 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.7 tp -72.43 163.34 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.265 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mt 55.43 37.65 29.18 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.058 0.456 . . . . 0.0 110.621 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -148.02 16.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.31 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.7 HD21 ' N ' ' A' ' 38' ' ' THR . 0.9 OUTLIER -72.03 -35.99 69.54 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.94 -179.734 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.537 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -51.98 -51.67 55.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.958 0.409 . . . . 0.0 110.048 179.046 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -50.9 -36.46 38.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.149 0.499 . . . . 0.0 110.199 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.679 ' HB2' ' CD1' ' A' ' 43' ' ' TRP . . . -81.32 -30.89 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.854 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.549 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.82 -37.32 81.61 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.541 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.423 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 9.4 pt-20 -77.93 -32.05 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.734 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 7.3 mm-40 -50.76 -49.06 58.94 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.27 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.489 ' O ' HD13 ' A' ' 20' ' ' LEU . . . -73.01 -42.79 62.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.982 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.899 ' O ' HG23 ' A' ' 21' ' ' VAL . 17.3 mt -55.4 -49.46 72.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.988 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -47.01 88.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -67.22 -35.35 79.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.249 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.062 HD12 HG21 ' A' ' 49' ' ' ILE . 3.7 mp -64.15 -45.13 89.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.444 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 17' ' ' ILE . 2.3 t -68.35 -30.79 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.934 0.397 . . . . 0.0 111.159 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.45 -24.54 62.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.25 -179.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.2 146.07 36.44 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -46.89 114.07 1.42 Allowed Glycine 0 C--N 1.338 0.673 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.911 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.1 t -139.58 -158.11 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.255 0.55 . . . . 0.0 112.325 -178.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.863 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -136.36 106.02 6.17 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.263 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 1.4 mm-40 -34.85 -34.15 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.611 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -51.06 -24.1 3.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.912 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.863 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 35.2 m-85 -70.7 -54.78 10.5 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 27' ' ' GLU . 1.9 p90 -61.38 -24.16 66.29 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.757 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.28 -30.59 33.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.116 0.484 . . . . 0.0 110.068 179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.11 -44.59 37.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.855 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.724 HD13 HG13 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -68.27 -45.46 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.413 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.0 -27.26 61.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.01 0.433 . . . . 0.0 110.638 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -75.66 -23.84 56.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.633 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.76 -176.47 0.01 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.987 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.547 ' HA ' HD11 ' A' ' 9' ' ' LEU . 1.1 mptt -139.22 21.36 2.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.977 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.7 ' N ' HD21 ' A' ' 9' ' ' LEU . 39.3 p -149.79 139.61 21.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.652 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 m -60.47 -37.94 76.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.178 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.547 ' O ' HG22 ' A' ' 44' ' ' THR . 5.7 mm-40 -64.08 -25.65 68.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.365 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.503 ' O ' HD13 ' A' ' 45' ' ' LEU . . . -76.18 -42.32 24.22 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.427 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.724 HG13 HD13 ' A' ' 33' ' ' ILE . 76.7 t -79.74 -46.3 22.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.786 0.327 . . . . 0.0 111.312 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.679 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 55.2 m95 -62.93 -30.4 71.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.301 -179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 40' ' ' GLU . 11.7 t -75.63 -48.56 21.66 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.535 HD22 ' CG2' ' A' ' 33' ' ' ILE . 3.0 mp -57.24 -35.6 69.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.203 0.525 . . . . 0.0 109.63 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -62.77 -39.55 94.54 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.929 178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -59.47 -34.34 72.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.04 179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -67.94 -32.51 73.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.285 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.062 HG21 HD12 ' A' ' 20' ' ' LEU . 21.0 mm -70.45 -27.89 33.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.779 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -34.47 58.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.426 HG22 ' OG1' ' A' ' 53' ' ' THR . 1.1 m -91.35 -48.14 7.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.011 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 25' ' ' THR . 0.2 OUTLIER 51.89 23.04 1.95 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.496 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.426 ' OG1' HG22 ' A' ' 51' ' ' THR . 2.6 m -55.87 -32.15 63.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.565 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.4 t -63.64 -66.62 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.933 0.397 . . . . 0.0 111.24 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.61 172.65 7.06 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.896 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.784 0.326 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.03 165.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 58.86 44.22 17.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.62 7.07 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.462 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mp 44.07 48.3 7.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.875 0.369 . . . . 0.0 111.888 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.441 HG23 ' O ' ' A' ' 6' ' ' ILE . 6.0 tp -59.23 123.58 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mt -87.18 120.32 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -157.0 162.85 39.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.001 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.688 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -79.8 -31.0 40.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.99 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.485 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -37.5 -51.56 1.15 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.819 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.36 -36.08 3.99 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.137 0.494 . . . . 0.0 110.679 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.659 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -82.37 -33.78 28.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.656 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.598 ' O ' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -61.16 -36.45 79.84 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.176 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' HG2' ' CD ' ' A' ' 13' ' ' LYS . 2.2 mm-40 -75.66 -31.85 59.94 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.595 178.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 9.3 mm-40 -53.24 -49.25 67.24 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.587 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.39 -45.23 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.079 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.86 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.6 mt -54.97 -43.61 69.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.864 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -63.68 -47.71 80.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HG3' ' CG ' ' A' ' 46' ' ' LYS . 19.0 mm-40 -68.98 -37.05 78.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.359 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.996 HD12 HG21 ' A' ' 49' ' ' ILE . 3.4 mp -64.74 -45.01 88.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.62 -179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 17' ' ' ILE . 24.8 t -67.79 -30.86 49.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.982 0.42 . . . . 0.0 111.274 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -72.4 -24.41 61.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.315 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -141.61 145.9 35.58 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.96 112.97 1.22 Allowed Glycine 0 C--N 1.336 0.56 0 C-N-CA 120.877 -0.677 . . . . 0.0 111.644 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.888 HG21 ' HG ' ' A' ' 20' ' ' LEU . 15.3 t -135.84 -158.16 0.85 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.172 0.511 . . . . 0.0 112.223 -177.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.891 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -134.6 106.62 7.07 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.776 178.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 3.7 mp0 -34.63 -34.34 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.371 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -49.93 -24.15 2.37 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.891 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 36.5 m-85 -73.48 -54.8 7.39 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 27' ' ' GLU . 1.9 p90 -62.52 -23.94 67.23 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.2 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -81.54 -34.42 31.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.09 0.472 . . . . 0.0 110.185 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.96 -35.77 69.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.827 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.868 HG23 HD22 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -78.65 -44.86 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.556 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.09 -25.66 46.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.78 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -79.19 -23.59 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.756 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.86 133.0 54.03 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.828 0.347 . . . . 0.0 111.031 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.16 -25.91 58.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.668 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.6 p -104.29 138.82 40.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.869 0.366 . . . . 0.0 110.791 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.688 HG12 ' HA ' ' A' ' 9' ' ' LEU . 28.2 m -66.14 -40.27 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.437 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 44' ' ' THR . 1.2 mt-10 -51.53 -26.63 8.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.179 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.73 -37.3 30.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.799 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.761 HG13 HD13 ' A' ' 33' ' ' ILE . 71.0 t -73.67 -47.04 45.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.745 0.307 . . . . 0.0 111.149 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.496 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 66.1 m95 -62.55 -35.37 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.593 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 40' ' ' GLU . 8.3 p -64.4 -54.92 25.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.023 0.439 . . . . 0.0 110.24 179.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.868 HD22 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -54.1 -37.88 64.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.127 179.262 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.4 ' CG ' ' HG3' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -55.44 -46.06 76.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.121 179.25 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -56.71 -33.9 66.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.863 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.66 -23.8 63.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.512 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.996 HG21 HD12 ' A' ' 20' ' ' LEU . 21.5 mm -75.97 -28.74 19.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.735 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -78.47 -36.16 45.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.13 -47.89 7.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.789 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.494 ' HE1' HG23 ' A' ' 49' ' ' ILE . 0.6 OUTLIER 62.95 15.74 8.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.472 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.42 ' CG2' ' N ' ' A' ' 54' ' ' VAL . 2.3 m 57.86 162.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.42 ' N ' ' CG2' ' A' ' 53' ' ' THR . 0.0 OUTLIER -157.55 -54.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.066 -179.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.7 m -160.03 -45.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.23 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.253 1.289 0 CA-C-O 117.979 -1.01 . . . . 0.0 111.01 179.718 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.864 0.364 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.2 m -117.09 29.49 7.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -72.14 -170.3 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.714 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -43.74 164.41 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.398 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -58.88 85.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 -179.789 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.607 HG23 ' O ' ' A' ' 6' ' ' ILE . 7.7 tp -72.51 69.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.981 0.419 . . . . 0.0 110.811 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 pp -86.73 113.16 22.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.197 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -132.62 146.56 51.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.585 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.516 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -78.36 -31.56 48.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.106 -179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -45.79 -52.19 11.56 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.079 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -50.6 -34.04 24.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.132 0.491 . . . . 0.0 110.278 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.646 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -81.9 -31.28 31.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.654 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.538 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.99 -36.96 78.3 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.373 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.434 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 20.9 pt-20 -78.52 -31.95 47.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.834 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.514 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.0 mm-40 -51.24 -49.26 61.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.322 179.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -74.26 -42.27 59.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.074 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.905 ' O ' HG23 ' A' ' 21' ' ' VAL . 19.3 mt -56.3 -48.52 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.684 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -61.53 -43.09 99.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -73.7 -33.85 64.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.529 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.996 HD12 HG21 ' A' ' 49' ' ' ILE . 3.2 mp -67.51 -37.12 82.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 111.209 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 17' ' ' ILE . 11.5 t -75.77 -30.72 21.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.017 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.04 -24.37 61.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.943 -0.572 . . . . 0.0 112.053 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 25' ' ' THR . . . -130.89 150.74 51.91 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.858 0.361 . . . . 0.0 111.75 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.6 69.46 0.73 Allowed Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.507 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.645 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.3 t -101.78 -143.0 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 122.274 0.23 . . . . 0.0 110.446 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.657 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -131.96 131.4 42.57 Favored 'General case' 0 C--O 1.227 -0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 111.873 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.6 pt-20 -54.18 -33.95 59.32 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.551 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -48.11 -20.85 0.39 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.479 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.657 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 28.8 m-85 -79.08 -46.79 17.36 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.515 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.3 p90 -66.97 -24.26 66.04 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.289 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -32.48 22.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 110.459 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.91 -30.75 62.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.653 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.846 HG23 HD22 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -82.73 -45.01 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.722 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.59 -23.56 41.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 110.891 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -83.13 -21.71 33.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.49 145.41 39.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.702 0.287 . . . . 0.0 110.971 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.7 19.26 11.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.083 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -152.06 136.94 17.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.681 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 9' ' ' LEU . 18.4 m -61.32 -44.77 99.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.593 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.575 ' O ' HG23 ' A' ' 44' ' ' THR . 2.0 mt-10 -51.27 -27.6 9.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.296 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.93 -41.26 23.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.001 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.81 HG13 HD13 ' A' ' 33' ' ' ILE . 76.1 t -72.74 -48.03 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.716 0.294 . . . . 0.0 111.315 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 64.5 m95 -61.36 -33.2 73.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 40' ' ' GLU . 6.6 p -67.01 -54.74 18.79 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.007 0.432 . . . . 0.0 110.188 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.846 HD22 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -52.77 -35.14 55.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.257 179.39 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HA ' HG12 ' A' ' 49' ' ' ILE . 3.4 ttpt -61.42 -45.18 95.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.214 179.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -33.5 62.3 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.256 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -69.25 -35.89 76.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.182 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.996 HG21 HD12 ' A' ' 20' ' ' LEU . 19.6 mm -60.38 -31.82 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.73 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -85.79 -26.34 25.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.122 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -85.84 -39.26 17.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.956 0.408 . . . . 0.0 111.207 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.547 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -85.93 2.98 43.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.029 0.442 . . . . 0.0 111.162 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -57.8 -171.15 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.45 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.479 ' N ' HG23 ' A' ' 53' ' ' THR . 27.8 m -110.69 164.51 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.6 m -141.75 120.88 12.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.748 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.322 -0.846 . . . . 0.0 110.944 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.946 0.403 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.74 120.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -111.7 92.12 3.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -57.43 130.68 47.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.852 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -97.57 -16.62 19.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.59 179.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.762 HD12 ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -43.74 129.53 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-O 121.012 0.434 . . . . 0.0 111.94 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.762 ' N ' HD12 ' A' ' 6' ' ' ILE . 1.3 mp -94.15 -154.96 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.129 179.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -147.24 152.78 38.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.047 0.451 . . . . 0.0 111.255 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.44 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -86.86 -30.82 21.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.355 -179.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.52 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -35.61 -51.83 0.66 Allowed 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -179.327 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -47.27 -37.44 10.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.131 0.491 . . . . 0.0 110.694 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.632 ' HB2' ' CD1' ' A' ' 43' ' ' TRP . . . -82.18 -32.31 30.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.129 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.52 -37.11 77.46 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.417 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 10.9 pt-20 -78.06 -32.19 50.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.776 178.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 4.7 mm-40 -50.48 -49.17 56.07 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.242 178.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 -46.42 49.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.902 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.874 ' O ' HG23 ' A' ' 21' ' ' VAL . 16.5 mt -52.5 -44.13 43.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -48.77 71.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.071 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.45 -37.58 83.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.464 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.918 ' HG ' HG21 ' A' ' 25' ' ' THR . 3.4 mp -64.26 -45.19 89.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.616 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 17' ' ' ILE . 26.3 t -67.0 -30.78 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.874 0.369 . . . . 0.0 111.288 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.9 -24.55 60.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.1 146.31 38.72 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.68 112.86 1.15 Allowed Glycine 0 C--N 1.335 0.513 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.784 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.918 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.8 t -138.83 -158.95 0.9 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.268 0.556 . . . . 0.0 112.056 -178.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.9 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -131.63 100.69 5.21 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.901 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.9 pt-20 -34.84 -34.14 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.596 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -48.87 -24.55 1.5 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.455 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.9 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 17.4 m-85 -71.47 -54.73 9.62 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.8 p90 -61.48 -24.64 66.72 Favored 'General case' 0 N--CA 1.461 0.113 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.995 -179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -28.75 32.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.05 0.452 . . . . 0.0 110.046 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.82 -39.97 29.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.855 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.723 HD13 HG13 ' A' ' 42' ' ' VAL . 0.9 OUTLIER -70.35 -44.97 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.366 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.87 -23.23 42.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.373 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -95.95 -9.56 30.89 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.915 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.63 -26.4 32.66 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 67.23 15.94 10.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.771 0.319 . . . . 0.0 110.649 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.91 145.25 32.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.47 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 40' ' ' GLU . 35.4 m -75.75 -48.29 30.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.77 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.569 ' O ' HG23 ' A' ' 44' ' ' THR . 16.7 mt-10 -59.19 -25.97 64.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.764 0.316 . . . . 0.0 111.431 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.49 -39.4 25.98 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.35 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.723 HG13 HD13 ' A' ' 33' ' ' ILE . 89.9 t -74.42 -46.78 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.821 0.344 . . . . 0.0 111.497 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.632 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 58.4 m95 -62.46 -37.3 85.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.689 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 40' ' ' GLU . 16.4 p -64.99 -53.73 41.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.946 0.403 . . . . 0.0 110.258 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.479 HD23 HG23 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -57.55 -33.16 67.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.367 179.56 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -60.96 -40.88 95.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.324 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.84 -33.81 76.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.376 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -62.69 -40.49 97.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.582 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.84 HG21 HD12 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -75.79 -27.48 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.477 179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 tptp -66.0 -30.59 71.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.855 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.2 -47.93 4.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.378 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.571 ' HE1' HG23 ' A' ' 49' ' ' ILE . 0.5 OUTLIER 62.55 16.9 9.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.147 -179.623 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.549 ' O ' HG13 ' A' ' 54' ' ' VAL . 2.5 m -80.07 116.05 19.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.616 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 53' ' ' THR . 5.2 m -159.3 172.45 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.984 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.3 m -109.07 117.41 34.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.96 0.41 . . . . 0.0 110.728 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.711 -179.875 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.46 0.171 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.593 HG22 HD21 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -161.81 83.53 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.631 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -102.94 -67.03 0.9 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.807 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -100.59 95.63 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.593 HD21 HG22 ' A' ' 2' ' ' THR . 0.1 OUTLIER -60.02 97.08 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.009 -179.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.601 HG23 ' O ' ' A' ' 6' ' ' ILE . 8.3 tp -60.99 107.02 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.776 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.45 97.35 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.254 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.51 12.11 1.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.161 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.696 HD21 ' C ' ' A' ' 37' ' ' LYS . 3.3 mt -87.15 -30.73 20.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 21.9 mmtt -37.71 -51.93 1.25 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.728 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -47.43 -35.3 8.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.182 0.515 . . . . 0.0 110.437 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.667 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -82.65 -33.34 27.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.723 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.586 ' HE3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -60.74 -36.96 80.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.461 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.412 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 4.0 tp10 -77.5 -31.77 53.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.751 178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.514 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 12.7 mm-40 -52.64 -49.17 65.69 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.419 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.41 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -73.99 -41.85 61.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.905 ' O ' HG23 ' A' ' 21' ' ' VAL . 9.9 mt -56.71 -48.99 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.748 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -61.68 -40.36 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.822 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' HG3' ' CG ' ' A' ' 46' ' ' LYS . 23.4 mm-40 -75.28 -33.93 61.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.485 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.089 HD12 HG21 ' A' ' 49' ' ' ILE . 1.9 mp -66.99 -39.57 87.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 17' ' ' ILE . 4.0 t -74.85 -30.76 24.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.027 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.33 -24.49 63.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.025 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' ' 25' ' ' THR . . . -130.72 150.52 51.86 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.737 0.304 . . . . 0.0 111.795 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.66 67.67 0.28 Allowed Glycine 0 CA--C 1.518 0.223 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.704 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.744 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.6 t -107.14 -175.58 2.83 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 122.532 0.333 . . . . 0.0 110.835 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.468 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -89.84 161.45 15.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.372 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 1.5 pm0 -85.31 -33.96 21.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.969 0.414 . . . . 0.0 111.551 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -42.83 -35.91 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.909 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.502 ' CD2' HD12 ' A' ' 49' ' ' ILE . 36.0 m-85 -55.52 -54.62 41.69 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.49 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.5 p90 -65.07 -24.02 67.34 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.995 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 2.1 mtmp? -83.83 -33.13 24.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.01 0.433 . . . . 0.0 110.473 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 mt -78.47 -32.53 48.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.124 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.778 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -79.87 -46.26 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.638 -179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.44 -25.9 27.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.881 0.372 . . . . 0.0 110.696 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -77.89 -28.59 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.562 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.01 133.62 56.27 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.944 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.696 ' C ' HD21 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -86.12 -7.31 58.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.924 179.568 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.5 p -110.85 137.85 47.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.817 0.341 . . . . 0.0 110.377 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 40' ' ' GLU . 27.4 m -67.37 -43.41 87.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.34 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 44' ' ' THR . 1.1 pt-20 -55.03 -24.24 23.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.412 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -76.84 -43.36 18.06 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.216 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.778 HG13 HD13 ' A' ' 33' ' ' ILE . 73.6 t -71.48 -45.88 66.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.631 0.253 . . . . 0.0 111.426 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.514 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 62.5 m95 -63.78 -33.25 75.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.861 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 40' ' ' GLU . 3.1 p -66.28 -55.82 14.21 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.95 0.405 . . . . 0.0 110.232 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 45' ' ' LEU . 3.0 mm? -53.86 -35.54 61.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.081 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' CG ' ' HG3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -58.62 -42.16 87.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.031 179.087 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -59.14 -33.43 70.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.079 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -68.96 -24.89 64.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.644 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.089 HG21 HD12 ' A' ' 20' ' ' LEU . 12.0 mm -75.32 -36.38 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.041 179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -74.01 -32.57 63.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.319 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.8 -47.91 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.891 0.377 . . . . 0.0 110.774 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.454 ' CE1' ' OG1' ' A' ' 25' ' ' THR . 0.1 OUTLIER 57.44 19.2 5.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.502 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.622 HG22 ' CG2' ' A' ' 54' ' ' VAL . 23.7 m 57.89 -84.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.739 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.622 ' CG2' HG22 ' A' ' 53' ' ' THR . 1.5 t -100.6 170.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.97 0.414 . . . . 0.0 110.743 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.529 ' H ' HG12 ' A' ' 54' ' ' VAL . 3.0 m -129.05 165.11 21.83 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.581 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--O 1.252 1.226 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.951 -179.843 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.839 0.352 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.9 m -101.92 -30.39 11.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -137.63 -46.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -112.11 118.77 36.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.041 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.7 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -59.94 98.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.634 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 6' ' ' ILE . 7.8 tp -62.73 110.05 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.341 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.7 HD23 ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -127.82 133.78 49.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.518 179.733 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.53 -169.6 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.091 0.472 . . . . 0.0 111.31 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -43.07 -31.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.415 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 26.3 mmtp -37.74 -51.78 1.26 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.907 -179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -37.55 12.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.004 0.431 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.704 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -84.5 -36.97 21.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.049 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.5 OUTLIER -60.05 -36.68 77.84 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.301 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -76.32 -31.87 58.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.934 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.485 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 7.3 mm-40 -53.51 -49.61 67.2 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.508 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.47 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -75.23 -42.76 54.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.881 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.871 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.5 mt -57.79 -46.54 87.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.298 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -58.91 -44.69 91.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.592 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -72.48 -34.24 67.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.941 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.831 ' CD1' HG21 ' A' ' 49' ' ' ILE . 4.4 mp -73.47 -24.46 60.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.871 HG23 ' O ' ' A' ' 17' ' ' ILE . 93.7 t -80.96 -30.94 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.91 0.386 . . . . 0.0 110.54 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.73 -24.55 53.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.319 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.506 ' O ' HG22 ' A' ' 25' ' ' THR . . . -134.58 155.44 50.42 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.987 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.86 -52.33 51.61 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.839 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.673 HG21 ' HA ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER 35.79 -104.83 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 179.559 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.99 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . 177.6 128.27 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.923 0.392 . . . . 0.0 111.265 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 2.2 pt-20 -56.5 -34.07 66.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.975 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.66 -22.9 0.33 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.99 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 25.3 m-85 -81.19 -54.08 5.82 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -57.31 -24.15 53.17 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.164 -179.398 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.67 -32.16 23.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.021 0.439 . . . . 0.0 110.336 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -29.36 61.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.794 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.79 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -85.59 -44.63 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.679 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.68 -25.11 38.06 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.854 0.359 . . . . 0.0 110.924 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -80.56 -19.96 44.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.9 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.66 109.91 6.63 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.173 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 13.3 mttm -59.6 -20.71 57.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.986 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.3 p -94.78 140.3 30.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.854 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 40' ' ' GLU . 32.3 m -73.83 -41.96 53.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.359 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.606 ' O ' HG22 ' A' ' 44' ' ' THR . 7.4 pt-20 -55.21 -23.93 24.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.494 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.35 -35.77 32.51 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.307 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.79 HG13 HD13 ' A' ' 33' ' ' ILE . 79.3 t -78.75 -42.89 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.674 0.273 . . . . 0.0 111.417 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.511 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 65.1 m95 -68.69 -30.28 68.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.369 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 40' ' ' GLU . 8.9 t -75.38 -51.21 13.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.168 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.786 HD23 HG23 ' A' ' 33' ' ' ILE . 10.7 tp -59.39 -32.72 70.41 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -38.5 91.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.915 179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -60.72 -37.67 82.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.856 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -63.32 -37.85 88.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.248 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.831 HG21 ' CD1' ' A' ' 20' ' ' LEU . 21.4 mm -78.84 -27.98 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.757 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 tttp -64.2 -31.6 72.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.251 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.84 -48.5 4.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.36 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.638 ' HE2' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER 44.61 27.34 0.24 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.724 179.743 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 m -52.8 125.8 18.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.765 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 52' ' ' PHE . 19.0 m -134.39 -179.89 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.136 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 m -99.49 -64.53 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.203 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.888 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 1' ' ' THR . 5.2 t . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.274 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.1 m -106.45 -51.46 2.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -140.26 83.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -59.54 138.26 57.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -59.32 87.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.7 tp -60.09 136.04 24.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -98.25 101.87 13.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -142.6 154.78 44.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.793 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.801 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -86.63 -31.23 21.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.924 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -42.7 -51.96 5.1 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 179.748 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -47.42 -34.94 7.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.12 0.486 . . . . 0.0 110.389 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.674 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -83.15 -33.19 26.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.669 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.53 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -60.24 -37.17 79.54 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 179.363 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 19.5 tp10 -77.77 -31.8 52.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.82 178.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.491 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 11.2 mm-40 -52.23 -49.27 64.31 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.422 179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.88 -42.0 61.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.055 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.876 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.9 mt -53.87 -48.24 62.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.826 0.346 . . . . 0.0 110.68 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -45.12 93.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.27 -35.12 73.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.445 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.681 ' HA ' HG21 ' A' ' 25' ' ' THR . 3.2 mp -68.5 -38.2 80.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.422 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 17' ' ' ILE . 22.0 t -74.56 -30.75 25.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.068 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -72.06 -24.58 61.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.036 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.584 ' O ' HG22 ' A' ' 25' ' ' THR . . . -134.23 147.87 50.76 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 112.012 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.34 69.26 0.51 Allowed Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.463 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.74 HG21 HD11 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -94.81 -97.65 0.16 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 122.211 0.204 . . . . 0.0 111.209 -179.609 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.978 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -178.71 126.21 0.1 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.79 0.328 . . . . 0.0 111.114 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.2 pt-20 -53.25 -34.19 56.15 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -50.4 -19.57 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.978 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 33.9 m-85 -82.26 -42.92 18.23 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -178.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.4 p90 -69.8 -24.09 63.43 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.947 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.35 -35.6 27.68 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.094 0.473 . . . . 0.0 110.142 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 32' ' ' LEU . 4.6 mt -71.15 -38.45 72.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.812 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.828 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -75.06 -43.4 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.549 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.69 -24.39 34.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.895 0.378 . . . . 0.0 110.861 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -81.83 -21.77 37.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.846 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.74 136.47 58.0 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.723 0.296 . . . . 0.0 110.96 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -77.91 -27.68 49.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.9 p -107.1 138.11 43.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.801 HG12 ' HA ' ' A' ' 9' ' ' LEU . 29.7 m -63.63 -40.39 88.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.406 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 44' ' ' THR . 0.2 OUTLIER -49.77 -28.22 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.374 . . . . 0.0 111.252 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.03 -37.87 31.71 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.007 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.828 HG13 HD13 ' A' ' 33' ' ' ILE . 79.4 t -75.33 -46.9 37.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.76 0.314 . . . . 0.0 111.249 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.584 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 63.3 m95 -63.37 -29.66 70.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.674 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 40' ' ' GLU . 8.4 p -73.4 -38.42 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.022 0.439 . . . . 0.0 110.215 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.43 HD22 ' CG2' ' A' ' 33' ' ' ILE . 1.9 mp -75.27 -29.0 60.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.643 179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 43' ' ' TRP . 0.4 OUTLIER -71.14 -30.57 66.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.867 0.365 . . . . 0.0 110.333 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -76.41 -39.52 53.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.009 179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -37.8 80.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.309 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.74 HD11 HG21 ' A' ' 25' ' ' THR . 0.0 OUTLIER -77.65 -28.91 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.634 179.511 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -61.17 -33.87 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.27 -48.12 4.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.896 0.379 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.666 ' CD2' ' HA ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER 49.38 24.29 1.03 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.505 -179.833 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.549 ' O ' HG22 ' A' ' 53' ' ' THR . 28.1 m -161.26 69.32 0.33 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.22 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 53' ' ' THR . 23.3 m 44.93 -171.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.115 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.663 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.578 ' O ' HG22 ' A' ' 55' ' ' THR . 30.3 m -159.48 31.07 0.2 Allowed 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.375 -0.821 . . . . 0.0 110.811 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.816 0.341 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 m 63.78 131.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -28.67 69.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.95 122.87 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.284 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.627 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -81.37 47.96 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.699 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.554 HG23 ' O ' ' A' ' 6' ' ' ILE . 10.7 tp -95.83 41.15 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.068 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mp -103.6 101.7 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.416 ' HB2' ' HD3' ' A' ' 10' ' ' LYS . 26.7 m-20 -123.0 131.13 53.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.797 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.768 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -51.2 -30.92 18.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.572 -179.812 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.53 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 1.1 pmtt? -39.88 -51.86 2.42 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.642 -179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -36.58 15.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.15 0.5 . . . . 0.0 110.466 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.653 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -79.03 -30.2 44.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.444 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.53 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -59.92 -37.12 78.55 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.189 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 7.6 tp10 -77.42 -31.76 54.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.761 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HG3' ' CZ2' ' A' ' 43' ' ' TRP . 9.7 mm-40 -52.21 -48.92 64.83 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.187 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 46' ' ' LYS . . . -71.52 -44.35 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.775 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.879 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.2 mm -52.88 -44.09 48.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.624 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -49.0 72.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.77 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.14 -34.63 78.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.904 HD12 HG21 ' A' ' 49' ' ' ILE . 3.3 mp -67.54 -45.2 76.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.517 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 17' ' ' ILE . 20.8 t -69.38 -30.81 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.877 0.37 . . . . 0.0 111.503 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -74.09 -24.4 59.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.323 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.9 146.78 39.69 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.13 115.78 2.59 Favored Glycine 0 C--N 1.337 0.589 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.642 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.901 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.6 t -140.75 -155.27 0.57 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.197 0.522 . . . . 0.0 112.4 -178.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.788 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -139.98 107.42 5.56 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.757 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -34.8 -34.12 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.127 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.45 -24.92 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.788 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 37.6 m-85 -71.26 -54.8 9.66 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 27' ' ' GLU . 1.6 p90 -60.42 -24.02 64.83 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.872 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -82.0 -34.77 29.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.132 0.491 . . . . 0.0 110.051 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.13 -44.55 62.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.803 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -69.67 -42.58 80.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.427 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.6 -23.62 51.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.961 0.41 . . . . 0.0 110.863 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -83.15 -21.05 33.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.646 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -58.58 145.22 40.2 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.808 0.337 . . . . 0.0 111.047 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -29.59 26.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.256 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.6 p -107.99 139.07 43.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.768 HG12 ' HA ' ' A' ' 9' ' ' LEU . 27.4 m -63.08 -36.97 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.333 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 44' ' ' THR . 6.8 mt-10 -51.92 -28.11 15.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.208 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.8 -34.24 43.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.91 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.803 HG13 HD13 ' A' ' 33' ' ' ILE . 94.1 t -79.05 -44.52 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.811 0.339 . . . . 0.0 111.244 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 67.5 m95 -65.97 -26.48 67.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.816 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 40' ' ' GLU . 14.2 p -78.52 -43.97 25.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.429 179.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.596 HD22 HG23 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -66.28 -43.93 84.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.745 179.764 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -61.6 -38.56 88.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.099 179.711 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -58.83 -37.8 77.25 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.71 -26.04 68.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.03 178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.904 HG21 HD12 ' A' ' 20' ' ' LEU . 17.7 mm -76.23 -42.07 37.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.522 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -30.98 67.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.71 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.71 -48.07 4.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.669 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.44 ' CD2' ' HA ' ' A' ' 49' ' ' ILE . 0.2 OUTLIER 48.1 25.12 0.75 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.37 179.828 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.4 m -81.29 -43.27 19.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.714 0.292 . . . . 0.0 110.563 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 m -82.58 160.72 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.004 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 m -138.56 148.43 44.19 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.014 0.435 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.044 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 2' ' ' THR . 68.9 p . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 120.717 0.294 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 1' ' ' THR . 0.0 OUTLIER -171.88 -59.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.799 179.794 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.18 105.55 1.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.88 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.55 151.22 30.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.791 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.533 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -60.19 86.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.722 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.634 HG23 ' O ' ' A' ' 6' ' ' ILE . 6.4 tp -64.97 96.01 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.382 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -84.59 164.86 18.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.424 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -152.99 159.58 42.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.137 0.494 . . . . 0.0 111.412 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.581 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -84.83 -30.35 24.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.987 179.795 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.544 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 11.1 mttp -35.17 -51.69 0.56 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 112.062 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.45 -38.75 2.95 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.215 0.531 . . . . 0.0 110.599 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.748 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -79.79 -37.09 35.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.735 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.641 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -54.91 -36.32 65.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.432 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.419 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 5.8 tp10 -77.75 -31.8 52.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.835 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.518 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 7.2 mm-40 -53.36 -49.95 66.09 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.768 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.733 ' HB3' HD13 ' A' ' 33' ' ' ILE . . . -80.24 -43.34 21.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.872 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.861 ' O ' HG23 ' A' ' 21' ' ' VAL . 6.6 mt -54.1 -43.15 58.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.294 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -65.36 -49.71 68.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.428 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.46 -39.9 94.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.287 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.944 ' HG ' HG21 ' A' ' 25' ' ' THR . 1.2 mp -65.76 -45.19 83.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.706 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 17' ' ' ILE . 33.9 t -68.59 -30.69 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.904 0.383 . . . . 0.0 111.184 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.05 -24.5 61.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.143 -179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.49 145.44 36.9 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.6 113.26 1.47 Allowed Glycine 0 C--N 1.336 0.551 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.904 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.944 HG21 ' HG ' ' A' ' 20' ' ' LEU . 11.9 t -137.09 -160.45 1.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.353 0.597 . . . . 0.0 112.185 -177.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.957 ' HB3' ' CZ ' ' A' ' 29' ' ' TYR . . . -125.91 103.52 7.81 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.613 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.484 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 5.4 pt-20 -34.68 -34.29 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.682 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -48.51 -23.54 1.01 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.957 ' CZ ' ' HB3' ' A' ' 26' ' ' ALA . 2.4 m-30 -74.45 -54.74 6.97 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.484 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.4 p90 -62.37 -24.08 67.16 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.398 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -82.25 -26.2 33.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 0.0 110.456 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -33.39 30.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.903 HG23 HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -77.34 -44.99 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.377 -179.729 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.75 -24.74 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -81.46 -25.91 35.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.96 123.86 20.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.049 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -65.2 -29.27 70.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.6 p -97.74 140.27 32.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 9' ' ' LEU . 23.5 m -70.8 -34.97 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.273 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.574 ' O ' HG23 ' A' ' 44' ' ' THR . 3.7 mm-40 -53.52 -25.87 18.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.46 -35.46 36.95 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.495 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.748 HG11 ' C ' ' A' ' 12' ' ' ALA . 93.4 t -75.15 -48.62 31.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.321 -0.44 . . . . 0.0 111.12 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.491 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 75.4 m95 -62.11 -30.48 71.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.436 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 40' ' ' GLU . 5.4 p -68.0 -51.67 44.53 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.903 HD22 HG23 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -59.12 -31.79 69.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.686 178.795 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 3.5 ttpt -61.18 -34.84 75.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.589 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -67.7 -29.89 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.621 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -53.19 38.35 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.527 179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.47 ' O ' HD12 ' A' ' 49' ' ' ILE . 2.0 tp -57.38 -27.78 29.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.843 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -72.63 -35.83 67.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.694 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.44 -48.26 4.84 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-O 120.685 0.278 . . . . 0.0 111.355 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.431 ' O ' HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER 58.83 19.9 7.45 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.925 0.393 . . . . 0.0 111.162 -179.551 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 64.35 139.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.2 t -127.56 -44.21 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.188 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.1 m -153.52 137.63 16.44 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.359 -0.829 . . . . 0.0 111.119 -179.619 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.755 0.312 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.9 m -129.87 99.22 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 61.37 155.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.07 131.13 54.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.517 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -58.92 88.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 6' ' ' ILE . 8.2 tp -70.47 68.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.171 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.419 HD12 ' HB3' ' A' ' 5' ' ' LEU . 9.4 mt -107.58 160.97 15.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.728 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -159.09 -165.12 1.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 111.227 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.704 HD11 ' HA ' ' A' ' 37' ' ' LYS . 8.0 mt -60.61 -31.01 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.045 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -39.82 -52.03 2.37 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.038 -179.331 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -53.99 -35.29 61.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.666 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -84.71 -34.01 23.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.276 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -61.03 -36.97 80.95 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.425 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 23.8 tt0 -76.83 -33.5 57.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.518 179.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.481 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.0 mm-40 -50.27 -49.12 54.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.262 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.26 -47.17 52.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.918 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 21' ' ' VAL . 1.6 mt -54.89 -42.54 63.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -48.27 77.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -69.87 -33.9 72.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.288 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.059 HD12 HG21 ' A' ' 49' ' ' ILE . 3.3 mp -67.17 -45.14 77.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.604 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 17' ' ' ILE . 24.2 t -69.08 -30.65 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.841 0.353 . . . . 0.0 111.374 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.71 -24.47 59.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.086 -0.506 . . . . 0.0 112.283 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.24 146.71 38.99 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.1 115.37 2.33 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.006 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.938 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.5 t -140.62 -157.59 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.351 0.596 . . . . 0.0 111.985 -177.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.878 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -134.18 104.01 6.01 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.074 -0.967 . . . . 0.0 109.776 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -34.79 -34.33 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.6 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -51.56 -23.17 3.85 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.878 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 35.8 m-85 -69.36 -54.77 12.81 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.512 ' HA ' ' CG1' ' A' ' 33' ' ' ILE . 2.5 p90 -66.5 -23.92 66.32 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.069 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HG2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -78.07 -23.49 48.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.041 0.448 . . . . 0.0 110.098 179.115 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.12 -41.97 13.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.325 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.788 HG23 HD22 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -68.62 -43.94 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.809 -179.492 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.65 -23.31 16.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -100.5 0.09 38.9 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.75 -36.15 76.05 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.704 ' HA ' HD11 ' A' ' 9' ' ' LEU . 9.1 mmmm 76.52 7.29 3.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.019 0.438 . . . . 0.0 110.858 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.4 p -137.0 139.65 41.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.188 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 40' ' ' GLU . 27.5 m -70.4 -48.3 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.595 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.565 ' O ' HG23 ' A' ' 44' ' ' THR . 2.7 mt-10 -58.46 -25.09 61.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.247 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.2 -42.71 18.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.423 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.763 HG13 HD13 ' A' ' 33' ' ' ILE . 69.8 t -72.35 -47.22 53.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.788 0.328 . . . . 0.0 111.238 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.578 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 57.8 m95 -61.28 -38.4 86.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.82 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 40' ' ' GLU . 12.9 p -63.82 -50.81 67.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.977 0.417 . . . . 0.0 110.155 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.788 HD22 HG23 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -55.67 -38.0 69.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.222 179.372 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.95 -45.82 82.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.211 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -57.97 -31.39 66.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.112 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.27 -23.84 62.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.583 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.059 HG21 HD12 ' A' ' 20' ' ' LEU . 19.2 mm -78.58 -29.64 14.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.53 -30.88 47.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -99.22 -43.55 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.546 ' HE1' HG23 ' A' ' 49' ' ' ILE . 0.7 OUTLIER 60.7 17.67 7.79 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.207 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.65 ' CG2' HG23 ' A' ' 54' ' ' VAL . 0.5 OUTLIER 58.87 -173.98 0.1 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.001 179.829 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.65 HG23 ' CG2' ' A' ' 53' ' ' THR . 21.2 t 71.2 -70.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.661 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.573 ' O ' HG22 ' A' ' 55' ' ' THR . 1.6 m 38.85 89.64 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.001 0.429 . . . . 0.0 111.956 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.244 0.77 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.799 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.893 0.377 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.98 157.64 45.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.709 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -110.53 -40.56 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.8 mttp 57.04 161.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.473 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -112.65 -20.42 11.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.827 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 6' ' ' ILE . 8.2 tp -46.69 115.75 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-O 120.921 0.391 . . . . 0.0 111.446 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.2 mt -97.61 34.75 1.78 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.218 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 m120 56.13 -175.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -75.03 -31.17 61.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.724 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -41.08 -51.91 3.29 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.752 -179.614 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.74 -36.3 25.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.02 0.438 . . . . 0.0 110.625 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.684 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -85.45 -37.69 19.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.257 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.07 -36.92 75.9 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.433 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -77.36 -31.98 54.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.667 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.497 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 8.9 mm-40 -53.0 -49.58 65.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.637 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -76.02 -38.06 57.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.196 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.671 ' O ' HG22 ' A' ' 21' ' ' VAL . 13.4 mt -59.37 -49.96 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.685 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -61.41 -41.75 97.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.644 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 15' ' ' GLU . 12.7 mm-40 -72.16 -33.91 68.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.266 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.073 HD12 HG21 ' A' ' 49' ' ' ILE . 2.7 mp -63.64 -45.12 91.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.771 -179.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -71.08 -30.89 42.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.966 0.412 . . . . 0.0 110.723 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -66.31 -24.57 66.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.896 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.48 ' O ' HG22 ' A' ' 25' ' ' THR . . . -133.7 151.16 51.56 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.86 0.362 . . . . 0.0 111.849 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.76 68.62 0.29 Allowed Glycine 0 C--O 1.237 0.296 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.56 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.701 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.7 t -106.03 -161.84 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.681 0.276 . . . . 0.0 110.693 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.574 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -108.02 152.31 24.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.742 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -77.66 -34.47 53.07 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.991 0.424 . . . . 0.0 111.832 -179.657 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -45.53 -30.51 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.482 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 27.2 m-85 -61.94 -54.58 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.2 p90 -60.76 -24.25 65.6 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.676 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -84.06 -35.38 23.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.04 0.448 . . . . 0.0 110.296 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.64 -30.88 64.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.774 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -84.25 -45.17 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.69 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.24 -26.22 38.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.908 0.385 . . . . 0.0 110.861 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -78.85 -20.33 49.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.862 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.62 110.56 8.0 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.154 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 2.3 pttt -59.28 -21.25 59.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.891 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.8 p -95.08 139.63 31.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.43 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.4 m -73.75 -40.02 53.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.228 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.631 ' O ' HG22 ' A' ' 44' ' ' THR . 66.6 mt-10 -54.5 -26.76 33.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.197 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.509 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -77.24 -34.21 41.92 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.147 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.774 HG13 HD13 ' A' ' 33' ' ' ILE . 77.9 t -79.47 -43.53 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.748 0.308 . . . . 0.0 111.328 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.497 ' CH2' ' HG3' ' A' ' 15' ' ' GLU . 63.5 m95 -66.06 -33.76 76.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.946 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 40' ' ' GLU . 5.7 t -71.27 -49.24 45.03 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.99 0.424 . . . . 0.0 109.905 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 41' ' ' GLY . 1.4 mm? -56.36 -34.06 66.29 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.794 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.49 -39.08 93.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.775 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.19 -34.76 70.7 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.887 179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.38 -40.36 89.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.869 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.073 HG21 HD12 ' A' ' 20' ' ' LEU . 24.3 mm -58.09 -29.8 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.729 179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -87.7 -29.93 20.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.212 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -82.69 -37.09 25.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.326 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.559 ' HE2' ' HG1' ' A' ' 25' ' ' THR . 0.1 OUTLIER -87.07 3.86 44.42 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.073 0.463 . . . . 0.0 111.374 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.469 HG22 ' N ' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -83.63 -63.21 1.4 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.589 179.385 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.469 ' N ' HG22 ' A' ' 53' ' ' THR . 12.5 m -67.4 145.8 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.011 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.3 m -148.3 165.28 31.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.783 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.268 0 CA-C-O 118.124 -0.941 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.847 0.356 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 3' ' ' TYR . 44.9 m 60.52 162.4 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.444 ' N ' HG22 ' A' ' 2' ' ' THR . 68.3 m-85 -59.07 113.38 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.587 ' HG3' HG22 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -98.41 178.3 5.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.759 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -116.66 -22.12 8.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 -179.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.603 HD12 ' H ' ' A' ' 7' ' ' LEU . 2.4 tp -48.11 131.88 5.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.077 0.465 . . . . 0.0 111.607 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.603 ' H ' HD12 ' A' ' 6' ' ' ILE . 1.4 mt -109.75 -161.74 0.77 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.311 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -151.61 164.1 37.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.004 0.431 . . . . 0.0 111.197 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 12' ' ' ALA . 0.3 OUTLIER -86.09 -31.12 22.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.916 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -38.76 -42.89 0.86 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.278 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.9 -43.96 63.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.242 0.544 . . . . 0.0 110.212 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.646 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -75.79 -30.31 59.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.065 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -57.85 -36.7 72.68 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.467 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.506 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 4.9 tp10 -78.68 -31.84 46.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.901 179.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.492 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 4.5 mm-40 -51.85 -49.3 63.14 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.418 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.406 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -74.79 -43.84 52.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.058 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.861 ' O ' HG23 ' A' ' 21' ' ' VAL . 20.0 mt -54.73 -45.81 73.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.67 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -47.04 83.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.799 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.74 -36.54 80.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.365 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.915 ' HG ' HG21 ' A' ' 25' ' ' THR . 3.1 mp -66.78 -45.19 79.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.658 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 17' ' ' ILE . 22.4 t -67.69 -30.78 49.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.857 0.36 . . . . 0.0 111.436 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -24.49 59.1 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.47 146.67 40.32 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -48.33 113.57 1.55 Allowed Glycine 0 C--N 1.337 0.591 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.933 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.915 HG21 ' HG ' ' A' ' 20' ' ' LEU . 13.9 t -139.47 -155.13 0.56 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.189 0.519 . . . . 0.0 112.091 -178.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.888 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -135.1 102.12 5.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.777 178.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.8 pm0 -34.91 -34.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.696 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -49.97 -24.75 2.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.495 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.888 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 18.4 m-85 -69.98 -54.81 11.58 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.479 ' HA ' ' CG1' ' A' ' 33' ' ' ILE . 1.9 p90 -61.84 -25.59 67.61 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.968 -179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -80.84 -26.36 37.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.087 0.47 . . . . 0.0 110.059 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 mt -82.56 -41.15 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.861 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.798 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -68.63 -44.27 82.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.317 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.51 -23.27 62.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.327 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -94.11 -12.71 27.86 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.812 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.94 -24.68 9.82 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.43 16.36 10.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.903 0.382 . . . . 0.0 110.553 -179.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.23 159.6 42.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.425 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 40' ' ' GLU . 34.0 m -88.82 -46.2 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.858 -179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.515 ' O ' HG23 ' A' ' 44' ' ' THR . 8.9 pt-20 -58.86 -24.17 61.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.733 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.37 -41.03 14.17 Favored Glycine 0 C--N 1.332 0.319 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.978 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.798 HG13 HD13 ' A' ' 33' ' ' ILE . 88.9 t -72.44 -48.33 48.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.737 0.303 . . . . 0.0 111.071 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.586 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 64.7 m95 -62.54 -30.52 71.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.636 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 40' ' ' GLU . 1.3 p -66.07 -50.36 64.4 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.784 HD22 HG23 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -61.9 -29.87 70.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.721 178.739 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.418 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -61.86 -31.75 72.04 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.71 178.852 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -71.3 -35.59 71.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.474 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 52' ' ' PHE . 22.2 mt-10 -63.23 -53.12 58.06 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.218 179.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.723 HG12 HD12 ' A' ' 20' ' ' LEU . 4.0 tp -56.97 -27.91 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.94 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.49 -39.88 77.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.681 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.476 HG22 HG22 ' A' ' 53' ' ' THR . 0.2 OUTLIER -101.98 -48.35 4.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.62 0.248 . . . . 0.0 111.277 -179.695 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' HD2' HD12 ' A' ' 49' ' ' ILE . 0.1 OUTLIER 47.85 25.59 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.459 179.812 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.699 HG23 HG23 ' A' ' 54' ' ' VAL . 1.2 t -155.75 -164.18 1.67 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.604 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.699 HG23 HG23 ' A' ' 53' ' ' THR . 17.0 t 71.06 -67.32 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.928 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.2 m -85.78 -58.79 2.51 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.007 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.422 -0.799 . . . . 0.0 110.667 179.844 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.783 0.325 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.41 160.28 20.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -107.67 124.89 50.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -105.97 176.33 5.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.59 ' C ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -101.01 117.04 34.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.081 0.467 . . . . 0.0 110.553 179.769 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 6' ' ' ILE . 9.3 tp -84.29 116.84 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.325 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 pp -111.6 140.07 46.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.783 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -156.36 160.86 40.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.991 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -82.96 -31.18 27.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.909 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.546 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -39.44 -52.23 2.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.528 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -44.9 -34.54 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.217 0.532 . . . . 0.0 110.361 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.723 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -82.19 -37.77 25.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.496 179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.667 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -55.24 -36.58 66.19 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.403 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.435 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 16.3 tt0 -78.38 -31.89 48.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.595 178.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.526 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 5.9 mm-40 -51.97 -49.61 62.9 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.794 179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.63 ' HB3' ' CD1' ' A' ' 33' ' ' ILE . . . -76.91 -38.96 52.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.07 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.607 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.5 mt -57.38 -47.87 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.228 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tttp -62.94 -39.9 96.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.78 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 6.4 mm-40 -72.48 -33.77 67.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.071 HD12 HG21 ' A' ' 49' ' ' ILE . 3.9 mp -62.28 -45.29 93.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.551 -179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -73.8 -31.02 30.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.939 0.399 . . . . 0.0 110.998 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -67.41 -24.37 65.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.809 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 25' ' ' THR . . . -135.08 146.57 49.03 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 111.907 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.65 82.94 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.042 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.728 HG21 ' HA ' ' A' ' 20' ' ' LEU . 6.8 t -118.72 -143.1 0.36 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 122.454 0.301 . . . . 0.0 110.87 -179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.85 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -127.07 163.94 22.66 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-O 120.659 0.266 . . . . 0.0 110.678 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.496 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 4.0 pt-20 -85.3 -38.53 18.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.643 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -45.55 -29.37 1.15 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.55 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.85 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 31.6 m-85 -61.24 -51.63 68.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.793 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.517 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.7 p90 -65.59 -24.29 67.04 Favored 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.687 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HD3' ' CE1' ' A' ' 30' ' ' PHE . 8.2 mtpt -80.94 -27.93 35.93 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.119 0.485 . . . . 0.0 110.496 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.19 -42.37 19.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.059 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.675 ' HB ' HG13 ' A' ' 42' ' ' VAL . 0.8 OUTLIER -69.23 -44.23 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.469 -179.65 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.68 -30.14 69.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.966 0.412 . . . . 0.0 110.631 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -72.82 -26.25 61.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.615 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.49 157.7 8.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.856 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -102.25 -23.83 13.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.0 p -107.73 137.68 45.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.859 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 9' ' ' LEU . 35.7 m -60.88 -37.2 76.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.332 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 44' ' ' THR . 5.9 mm-40 -53.87 -27.66 31.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.273 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.58 -39.26 41.79 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.753 . . . . 0.0 111.884 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.723 HG11 ' C ' ' A' ' 12' ' ' ALA . 96.5 t -76.45 -46.52 31.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.426 -0.387 . . . . 0.0 111.565 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ2' ' HG3' ' A' ' 15' ' ' GLU . 73.5 m95 -63.98 -24.43 67.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.025 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 40' ' ' GLU . 6.9 p -77.54 -52.62 8.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.161 0.505 . . . . 0.0 109.956 178.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.605 HD22 HG23 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -59.62 -45.05 93.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.536 179.555 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.491 ' HG2' ' HA ' ' A' ' 43' ' ' TRP . 0.3 OUTLIER -58.63 -36.18 73.68 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.114 179.53 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -60.01 -31.61 70.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.167 0.508 . . . . 0.0 109.77 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -76.99 -23.8 52.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.593 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.071 HG21 HD12 ' A' ' 20' ' ' LEU . 32.3 mm -72.2 -36.0 54.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.3 -39.66 32.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.293 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.0 -48.29 7.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.772 0.32 . . . . 0.0 111.141 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CD1' ' HA ' ' A' ' 49' ' ' ILE . 0.3 OUTLIER 46.09 25.97 0.38 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.689 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 57.29 167.88 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.7 t -128.8 -50.78 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.234 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m -113.54 152.55 30.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.008 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.998 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 2' ' ' THR . 1.5 t . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.662 0.268 . . . . 0.0 111.42 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.426 ' H ' HG23 ' A' ' 1' ' ' THR . 6.9 m 61.17 84.56 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.819 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -131.76 -62.74 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.798 ' HB3' HG22 ' A' ' 6' ' ' ILE . 2.6 mtmp? -68.12 115.76 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.506 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.549 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -63.2 -23.7 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.785 179.612 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.798 HG22 ' HB3' ' A' ' 4' ' ' LYS . 5.0 tp -50.56 126.03 4.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.359 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.06 29.23 2.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.338 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.4 m120 58.9 156.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.087 0.47 . . . . 0.0 111.489 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.535 ' HA ' HG12 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -83.32 -30.88 27.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.755 179.737 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.588 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 6.2 mttt -35.4 -40.93 0.16 Allowed 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.709 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.26 -49.97 31.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.48 179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.652 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -69.56 -27.69 65.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.904 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.798 ' HE3' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -59.67 -36.1 75.77 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.273 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.478 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 18.0 tt0 -78.78 -31.98 46.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.589 179.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.533 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -51.44 -49.17 62.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.359 179.201 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -75.2 -47.27 29.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.936 179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.83 ' O ' HG23 ' A' ' 21' ' ' VAL . 28.9 mt -54.31 -43.89 63.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.25 -48.94 73.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -66.83 -36.35 82.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.335 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.055 HD12 HG21 ' A' ' 49' ' ' ILE . 2.7 mp -67.16 -45.25 77.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.783 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 17' ' ' ILE . 31.8 t -68.72 -30.75 48.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.841 0.353 . . . . 0.0 111.249 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.17 -24.52 60.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.302 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.39 146.61 38.6 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.65 115.1 2.03 Favored Glycine 0 C--N 1.337 0.609 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.824 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.932 HG21 ' HG ' ' A' ' 20' ' ' LEU . 14.2 t -141.23 -156.11 0.65 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.861 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . -133.35 102.37 5.52 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.102 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.455 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 0.8 OUTLIER -35.26 -34.06 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.982 0.801 . . . . 0.0 112.618 -179.11 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -22.98 1.47 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.861 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 9.9 m-85 -74.15 -54.63 7.36 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.9 p90 -62.66 -24.12 67.46 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.256 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -81.73 -23.63 36.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.987 0.422 . . . . 0.0 110.547 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.408 ' HA ' ' ND2' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -86.32 -29.41 23.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.199 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.862 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -83.17 -42.84 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.801 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.81 -23.63 19.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.724 0.297 . . . . 0.0 111.431 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' A' ' 32' ' ' LEU . 23.4 p30 -85.06 -24.0 28.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.407 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.14 116.9 3.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.843 0.354 . . . . 0.0 111.278 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -59.77 -31.17 69.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.536 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.65 143.62 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.54 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' ' 9' ' ' LEU . 33.5 m -75.72 -41.5 40.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.362 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.425 ' N ' HG23 ' A' ' 39' ' ' VAL . 36.7 mt-10 -53.5 -24.69 13.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.316 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.423 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -75.23 -38.93 38.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.002 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.862 HG13 HD13 ' A' ' 33' ' ' ILE . 70.1 t -70.03 -43.64 79.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.824 0.345 . . . . 0.0 111.26 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.533 ' CZ2' ' HG2' ' A' ' 15' ' ' GLU . 70.0 m95 -65.17 -36.02 82.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.753 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.65 -56.06 18.7 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.93 0.395 . . . . 0.0 110.419 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 41' ' ' GLY . 3.1 mm? -53.01 -37.7 61.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.326 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -61.54 -42.49 98.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.143 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -54.86 -34.07 62.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.984 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -71.3 -31.9 67.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.259 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.055 HG21 HD12 ' A' ' 20' ' ' LEU . 30.1 mm -64.63 -27.91 43.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.03 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.487 ' HA ' HG22 ' A' ' 53' ' ' THR . 0.1 OUTLIER -86.79 -28.09 23.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.379 -179.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.63 -36.74 28.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.184 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.495 ' O ' ' CD2' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -88.09 6.54 35.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.218 0.532 . . . . 0.0 111.759 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 50' ' ' LYS . 1.4 t -124.99 126.19 45.07 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.813 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.511 HG23 ' H ' ' A' ' 55' ' ' THR . 0.6 OUTLIER -144.49 -57.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.121 -179.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.511 ' H ' HG23 ' A' ' 54' ' ' VAL . 2.0 m -136.82 -54.96 0.72 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.939 179.789 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.893 0.378 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.17 21.9 10.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.071 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 60.69 153.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.893 0.377 . . . . 0.0 110.945 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -57.43 132.87 54.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.798 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -91.4 -20.35 21.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.611 179.61 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.982 HD11 HG11 ' A' ' 39' ' ' VAL . 8.2 tp -49.77 143.26 2.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.354 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.4 pp -133.81 87.19 2.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 59.67 162.29 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.426 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -76.2 -31.21 58.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.919 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 11.2 mptt -35.83 -47.71 0.52 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.65 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.52 -48.32 38.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.813 0.339 . . . . 0.0 110.479 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.666 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -68.33 -27.89 66.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.653 179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -60.72 -35.94 77.59 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 179.285 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 3.8 mt-10 -76.49 -33.36 58.66 Favored 'General case' 0 CA--C 1.523 -0.091 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.519 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -51.18 -49.08 61.63 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.599 179.386 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.78 -42.39 61.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.9 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.6 mm -56.82 -48.74 80.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.777 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -60.94 -44.11 97.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.58 -33.88 67.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.442 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.061 HD12 HG21 ' A' ' 49' ' ' ILE . 3.4 mp -67.52 -40.48 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.36 -179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 17' ' ' ILE . 9.9 t -72.5 -30.77 35.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.112 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -24.47 61.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.155 -179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.517 ' O ' HG22 ' A' ' 25' ' ' THR . . . -131.52 149.71 52.42 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.948 0.404 . . . . 0.0 111.87 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.84 68.72 0.43 Allowed Glycine 0 CA--C 1.517 0.162 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.659 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.648 HG21 ' HA ' ' A' ' 20' ' ' LEU . 1.2 t -104.22 -162.94 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 122.416 0.287 . . . . 0.0 110.578 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.558 ' N ' ' OG1' ' A' ' 25' ' ' THR . . . -106.07 133.55 50.61 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-O 120.772 0.32 . . . . 0.0 111.376 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.505 ' HA ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -59.14 -34.18 71.76 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.743 -179.839 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -43.87 -36.28 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.904 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.503 ' HB2' HD21 ' A' ' 20' ' ' LEU . 38.6 m-85 -57.1 -54.51 45.98 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' HB3' HD22 ' A' ' 20' ' ' LEU . 1.5 p90 -62.02 -24.2 66.91 Favored 'General case' 0 C--O 1.232 0.138 0 C-N-CA 120.232 -0.587 . . . . 0.0 110.733 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.62 -32.56 23.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.07 0.462 . . . . 0.0 110.423 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.72 -29.85 45.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.127 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.866 HD13 HG13 ' A' ' 42' ' ' VAL . 1.1 pp -83.12 -44.41 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.65 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.04 -23.62 55.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.92 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -82.08 -24.08 35.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.426 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -62.54 130.71 46.34 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.805 0.336 . . . . 0.0 110.97 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -77.35 -7.31 55.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.032 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.5 p -117.58 140.36 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.982 HG11 HD11 ' A' ' 6' ' ' ILE . 35.1 m -68.36 -42.73 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.252 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 39' ' ' VAL . 3.7 mm-40 -54.11 -24.69 18.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -76.48 -40.77 26.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.067 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.866 HG13 HD13 ' A' ' 33' ' ' ILE . 79.0 t -70.68 -45.8 72.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.754 0.311 . . . . 0.0 111.278 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.519 ' CZ2' ' HG2' ' A' ' 15' ' ' GLU . 70.8 m95 -64.24 -36.2 83.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.801 -179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 40' ' ' GLU . 1.7 p -62.51 -56.15 20.77 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.98 0.419 . . . . 0.0 110.223 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 45' ' ' LEU . 3.2 mm? -57.5 -35.1 69.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.111 179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -45.26 95.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.113 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -36.09 65.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.015 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -36.24 83.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.123 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.061 HG21 HD12 ' A' ' 20' ' ' LEU . 11.3 mm -63.61 -28.28 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.062 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -22.14 25.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.697 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.86 -34.53 10.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.546 0.212 . . . . 0.0 111.469 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -83.16 -0.1 47.72 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 121.16 0.505 . . . . 0.0 111.452 -179.762 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.704 HG22 HG13 ' A' ' 54' ' ' VAL . 1.2 m -66.57 -59.54 3.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.433 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.704 HG13 HG22 ' A' ' 53' ' ' THR . 17.8 m -133.08 167.98 25.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.984 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.8 m -140.9 106.85 5.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.896 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 C--O 1.242 0.682 0 CA-C-O 118.104 -0.951 . . . . 0.0 110.962 -179.903 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.765 0.317 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 m -161.26 66.58 0.29 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -60.51 164.59 4.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -67.04 127.72 33.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -59.57 91.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.704 HD12 ' H ' ' A' ' 7' ' ' LEU . 2.7 tp -54.49 138.7 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.424 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.704 ' H ' HD12 ' A' ' 6' ' ' ILE . 12.3 mt -105.83 -151.78 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.422 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -44.03 154.7 0.1 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.094 0.473 . . . . 0.0 111.92 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.493 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -70.44 -30.81 67.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.067 179.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.534 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.4 OUTLIER -35.36 -49.58 0.52 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.841 -179.558 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.558 ' NE2' HD11 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -43.54 -38.76 3.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.027 0.442 . . . . 0.0 110.755 179.643 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.651 ' C ' HG11 ' A' ' 42' ' ' VAL . . . -80.66 -32.88 35.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.833 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.548 ' HA ' HD12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -59.7 -36.78 77.22 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 179.382 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -77.22 -31.85 55.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.768 179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.521 ' HG3' ' CH2' ' A' ' 43' ' ' TRP . 5.5 mm-40 -51.92 -49.15 63.66 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.336 179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.465 ' HB3' HD11 ' A' ' 33' ' ' ILE . . . -73.76 -42.35 61.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.078 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.914 ' O ' HG23 ' A' ' 21' ' ' VAL . 30.9 mt -56.45 -47.42 81.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.617 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -45.24 95.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.787 179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.58 -35.41 70.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.29 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.081 HD12 HG21 ' A' ' 49' ' ' ILE . 4.5 mp -67.96 -36.44 80.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.31 -179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 17' ' ' ILE . 27.1 t -73.44 -30.6 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.89 0.376 . . . . 0.0 110.747 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.47 -24.72 61.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.983 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 25' ' ' THR . . . -137.71 146.46 43.78 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.94 0.4 . . . . 0.0 111.979 -179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.25 65.15 0.75 Allowed Glycine 0 C--O 1.227 -0.33 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.493 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.588 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -85.4 -89.85 0.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.415 0.15 . . . . 0.0 111.232 -179.762 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.954 ' HB3' ' CE2' ' A' ' 29' ' ' TYR . . . 179.23 122.01 0.05 Allowed 'General case' 0 C--O 1.225 -0.203 0 CA-C-O 120.782 0.325 . . . . 0.0 111.083 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.49 ' HA ' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -48.79 -46.96 42.28 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.945 -179.363 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HE3' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -37.33 -39.96 0.32 Allowed 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -179.008 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.954 ' CE2' ' HB3' ' A' ' 26' ' ' ALA . 32.8 m-85 -56.89 -51.97 66.98 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.49 ' CE2' ' HA ' ' A' ' 27' ' ' GLU . 1.1 p90 -65.31 -24.15 67.2 Favored 'General case' 0 C--N 1.333 -0.112 0 C-N-CA 120.306 -0.557 . . . . 0.0 111.035 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.76 -33.71 24.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.059 0.456 . . . . 0.0 110.291 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.86 -35.86 64.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.772 HD13 HG13 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -77.21 -45.09 30.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.525 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.28 -28.72 59.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.993 0.425 . . . . 0.0 110.747 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -74.44 -26.11 59.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.69 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.01 138.97 58.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.902 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 13.05 19.16 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.11 179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.8 p -134.4 139.02 45.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.826 0.346 . . . . 0.0 110.348 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.574 HG11 ' CG1' ' A' ' 6' ' ' ILE . 35.4 m -68.12 -37.39 78.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.258 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.541 ' O ' HG23 ' A' ' 44' ' ' THR . 10.3 mt-10 -60.73 -25.47 66.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.74 -40.67 25.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.157 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.772 HG13 HD13 ' A' ' 33' ' ' ILE . 86.5 t -73.78 -47.39 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.718 0.294 . . . . 0.0 111.424 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 12' ' ' ALA . 61.0 m95 -63.3 -29.72 70.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.695 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 40' ' ' GLU . 3.0 p -69.49 -55.52 9.99 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.022 0.439 . . . . 0.0 110.102 179.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.46 -36.88 67.05 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.16 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.75 -39.82 92.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.039 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -58.96 -32.86 70.01 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.14 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -70.4 -32.96 70.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.2 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.081 HG21 HD12 ' A' ' 20' ' ' LEU . 17.6 mm -64.68 -43.08 96.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.955 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -69.52 -31.88 70.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.298 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.18 -42.16 26.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.715 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.556 ' CD1' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -91.07 8.09 37.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.144 0.497 . . . . 0.0 111.032 179.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.54 HG23 ' CB ' ' A' ' 23' ' ' ALA . 1.0 OUTLIER -54.87 -63.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.766 179.406 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.464 ' N ' HG22 ' A' ' 53' ' ' THR . 15.2 m -55.93 153.87 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-O 121.107 0.48 . . . . 0.0 111.254 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.2 m -111.2 134.56 52.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.878 179.89 . . . . . . . . 0 0 . 1 stop_ save_