data_2e3g_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 2e3g _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 ' 1' ' ' ALA . . . . . 0.599 ' HB3' HD11 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.82 0.343 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 5.3 m -63.46 94.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.982 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.1 p -177.84 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.943 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.909 ' HB3' ' HB3' ' A' ' 10' ' ' ASN . 10.9 t70 -176.79 -45.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.013 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 1' ' ' ALA . 45.0 tp 61.64 45.53 7.97 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.926 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 10' ' ' ASN . . . -74.8 -42.35 58.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.457 0.646 . . . . 0.0 110.129 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 50.1 m -152.51 87.31 1.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.774 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 7' ' ' SER . 2.8 mppt? 74.52 -52.23 0.68 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.802 0.841 . . . . 0.0 109.387 -177.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -171.0 100.49 0.21 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.281 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.909 ' HB3' ' HB3' ' A' ' 4' ' ' ASP . 49.7 t30 -65.39 162.19 18.21 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.51 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 23.0 t90 68.4 -114.54 0.14 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 105.568 -2.012 . . . . 0.0 105.568 -177.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.465 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 19.5 t-20 49.55 -99.79 0.07 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 176.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -57.28 -22.36 41.03 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 124.18 0.992 . . . . 0.0 111.931 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.519 HG21 HD22 ' A' ' 15' ' ' LEU . 89.5 m -40.43 -48.5 2.76 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -177.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.519 HD22 HG21 ' A' ' 14' ' ' THR . 2.3 pp -166.48 -36.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.864 0.364 . . . . 0.0 110.724 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.0 t -62.07 -50.35 72.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.432 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.527 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -69.07 -29.16 67.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.197 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HA ' HD12 ' A' ' 21' ' ' ILE . . . -52.41 -35.25 51.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.2 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -62.13 -45.81 91.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.217 0.532 . . . . 0.0 110.093 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.9 m -67.87 -34.44 76.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.666 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 17' ' ' ALA . 63.5 mt -62.1 -44.15 98.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.939 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.82 75.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.969 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.522 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 15.4 tpt180 -65.58 -59.94 3.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.868 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.522 ' HB3' ' O ' ' A' ' 23' ' ' ARG . 9.1 ptm180 164.05 -17.47 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.952 0.783 . . . . 0.0 110.85 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 71.4 m-85 -76.8 163.83 26.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.34 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.562 ' CB ' ' HA ' ' A' ' 40' ' ' ASN . 51.2 ttt180 -62.42 -42.73 99.66 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.606 0.717 . . . . 0.0 109.235 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 168.64 -120.72 0.9 Allowed Glycine 0 N--CA 1.432 -1.581 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -168.58 129.77 1.95 Allowed Glycine 0 N--CA 1.438 -1.233 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -65.93 163.34 17.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.689 0.281 . . . . 0.0 110.813 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 2' ' ' THR . 89.6 m -78.71 102.26 7.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.112 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.518 ' HB3' ' H ' ' A' ' 35' ' ' VAL . 24.0 t-20 -71.36 154.81 41.3 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.7 m -55.61 -38.5 69.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.351 0.596 . . . . 0.0 110.189 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.823 ' HG3' HG22 ' A' ' 35' ' ' VAL . 17.4 ptpt -86.93 26.74 1.1 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.02 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 54.12 46.83 24.58 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.823 HG22 ' HG3' ' A' ' 33' ' ' LYS . 91.4 t -116.64 132.84 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.381 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.2 p -90.4 82.65 5.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.06 0.457 . . . . 0.0 110.629 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.405 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 39.7 t -67.23 117.03 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.8 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 86.8 m -50.89 121.57 6.17 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 123.547 0.529 . . . . 0.0 111.323 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.09 150.49 18.6 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.821 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.562 ' HA ' ' CB ' ' A' ' 26' ' ' ARG . 49.6 t30 . . . . . 0 C--N 1.308 -1.21 0 CA-C-O 118.503 -0.761 . . . . 0.0 109.567 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.636 ' HB2' ' HB3' ' A' ' 9' ' ' TRP . . . . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.94 0.4 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.48 -166.59 1.26 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.118 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 10' ' ' ASN . 3.2 m 61.28 35.11 18.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.76 177.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 60.66 56.17 3.1 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.783 ' HA ' ' H ' ' A' ' 10' ' ' ASN . 0.3 OUTLIER -38.3 79.06 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.628 ' H ' ' HB2' ' A' ' 10' ' ' ASN . . . -64.25 -48.67 74.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.3 p -103.13 -124.95 0.2 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -69.54 -40.15 77.05 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 176.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.636 ' HB3' ' HB2' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -166.26 114.25 0.9 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.358 -1.747 . . . . 0.0 107.789 177.286 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.783 ' H ' ' HA ' ' A' ' 5' ' ' LEU . 34.9 t30 -53.71 145.02 16.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.093 -178.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.446 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 23.5 t90 68.01 -118.18 0.19 Allowed 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.427 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 12.8 t-20 57.5 -116.18 0.92 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 120.958 0.409 . . . . 0.0 111.711 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.422 ' ND1' ' H ' ' A' ' 13' ' ' HIS . 10.2 p-80 -61.83 4.43 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -178.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.7 m -61.9 -36.38 81.14 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.318 0.58 . . . . 0.0 109.596 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -165.73 -36.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.286 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 17' ' ' ALA . 8.1 p -67.36 -50.83 58.22 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.086 -0.245 . . . . 0.0 111.598 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.438 ' N ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.98 -25.53 61.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 0.0 110.651 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.23 -35.16 69.35 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.332 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.34 -43.77 98.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.669 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.6 m -66.83 -43.41 83.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.369 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 76.5 mt -55.86 -41.27 66.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.264 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.21 -37.72 88.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.76 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -81.7 18.03 1.34 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.46 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 69.63 45.43 0.79 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.512 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.586 ' HA ' ' OD1' ' A' ' 40' ' ' ASN . 34.3 m-85 -121.81 155.78 34.62 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.611 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 9.9 ttm-85 -58.04 -40.71 81.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.97 0.89 . . . . 0.0 109.563 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.62 -132.5 2.93 Favored Glycine 0 N--CA 1.434 -1.442 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.82 130.45 2.07 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.585 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -70.88 140.58 51.11 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 p -90.68 130.21 36.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.377 0.608 . . . . 0.0 110.081 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.55 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 4.1 m120 -85.76 149.37 25.32 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.091 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -56.2 -28.57 58.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.977 0.418 . . . . 0.0 110.534 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -85.63 20.16 2.2 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.672 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.53 54.63 1.88 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.213 0.53 . . . . 0.0 111.844 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.55 ' HB ' ' HB2' ' A' ' 31' ' ' ASN . 22.0 t -128.47 144.17 38.77 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.68 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.1 m -126.99 110.95 13.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.202 0.525 . . . . 0.0 111.509 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.8 t -99.42 126.95 52.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.001 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.3 m -58.88 137.34 57.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.283 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.611 ' O ' ' HB3' ' A' ' 26' ' ' ARG . 9.8 ptm180 -146.18 142.49 28.48 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.586 ' OD1' ' HA ' ' A' ' 25' ' ' TYR . 55.2 m-20 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.049 -0.976 . . . . 0.0 110.062 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.338 0.59 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.436 ' HB ' ' HA ' ' A' ' 32' ' ' SER . 1.7 m -98.96 50.79 0.96 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.462 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.871 ' SG ' ' HA ' ' A' ' 34' ' ' ALA . 65.8 m -140.56 97.09 3.14 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.505 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.54 -42.44 0.44 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.025 0.93 . . . . 0.0 112.987 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 18.5 tp 66.12 25.39 10.78 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.293 0.637 . . . . 0.0 111.113 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.48 77.73 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 p -107.19 -53.41 2.62 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 43.2 pttt -174.11 -45.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.724 -1.58 . . . . 0.0 108.247 177.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.441 ' HB3' ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -136.99 34.68 2.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.51 0.672 . . . . 0.0 110.119 177.708 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.634 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 26.4 t30 51.12 -125.15 2.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.14 -1.391 . . . . 0.0 112.671 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.634 ' HE3' ' HB3' ' A' ' 10' ' ' ASN . 2.5 p90 -63.91 -61.05 2.53 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -177.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 19.6 t-20 51.65 -94.3 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -67.85 -10.08 49.99 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 123.094 0.558 . . . . 0.0 111.855 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.5 m -53.86 -36.59 62.78 Favored 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 123.434 0.459 . . . . 0.0 111.502 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -165.47 -34.3 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.592 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 t -67.24 -52.58 39.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 111.3 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.87 -23.25 64.19 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.388 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.51 -35.59 70.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.091 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -63.24 -38.95 93.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.141 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.8 m -72.01 -44.27 63.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.568 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.4 mt -65.14 -38.09 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.996 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.28 68.32 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.489 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.12 -86.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.1 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -172.61 36.4 0.01 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.031 0.443 . . . . 0.0 111.189 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -108.82 172.01 7.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.443 ' H ' ' HA ' ' A' ' 40' ' ' ASN . 25.1 ttm180 -71.6 -44.26 64.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.156 0.979 . . . . 0.0 108.523 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.75 -136.81 4.18 Favored Glycine 0 N--CA 1.432 -1.574 0 CA-C-N 113.806 -1.543 . . . . 0.0 109.547 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.62 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -154.66 95.34 0.15 Allowed Glycine 0 N--CA 1.438 -1.215 0 C-N-CA 120.215 -0.993 . . . . 0.0 111.599 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -60.47 133.3 55.96 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 t -76.53 119.23 20.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.388 -177.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -85.64 -167.31 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.936 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.436 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 32.4 t -70.43 -28.19 64.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.66 0.267 . . . . 0.0 111.654 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -83.78 10.44 9.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.708 -0.223 . . . . 0.0 111.542 -179.52 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.871 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . . . 59.97 42.19 16.43 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.222 0.534 . . . . 0.0 111.478 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.63 139.41 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.978 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' HB2' ' HA3' ' A' ' 28' ' ' GLY . 25.0 p -83.45 119.99 25.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.006 0.431 . . . . 0.0 110.14 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.62 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 22.9 t -88.41 109.03 19.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.199 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.8 m -64.74 117.95 8.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.629 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -167.08 148.41 5.83 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.94 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.443 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 18.7 p30 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.757 -0.639 . . . . 0.0 109.458 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 9' ' ' TRP . . . . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.898 0.38 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.603 HG22 ' HA ' ' A' ' 32' ' ' SER . 6.1 m -66.52 -23.49 66.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.788 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.502 ' C ' ' H ' ' A' ' 5' ' ' LEU . 1.4 p -71.82 61.94 0.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.3 t70 69.12 -24.56 0.14 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 3' ' ' CYS . 34.2 tp 69.62 32.73 3.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.531 0.681 . . . . 0.0 109.97 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 113.82 5.59 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.5 m 68.31 -66.84 0.21 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 124.0 0.812 . . . . 0.0 110.652 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.803 ' HZ2' ' HB3' ' A' ' 8' ' ' LYS . 7.9 mtpm? -140.83 -55.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.461 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -152.85 46.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.598 178.522 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.439 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 0.5 OUTLIER 60.57 -136.21 0.66 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.496 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.462 ' HE3' ' H ' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -64.28 -49.1 73.14 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 9' ' ' TRP . 13.7 t-20 44.05 -103.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.444 ' H ' ' HB3' ' A' ' 12' ' ' ASN . 5.4 p-80 -75.76 21.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -177.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 p -76.85 -34.53 57.83 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.511 0.672 . . . . 0.0 109.22 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp -160.92 -44.15 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.106 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.99 -55.68 17.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.71 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.5 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -77.4 -34.3 54.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.531 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.93 -44.64 67.17 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.731 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -56.99 -42.56 80.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.012 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.7 m -72.39 -35.9 68.55 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.549 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 17' ' ' ALA . 67.2 mt -63.88 -45.96 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.29 0.567 . . . . 0.0 109.536 178.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.87 74.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.637 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.517 ' HA ' ' NE ' ' A' ' 23' ' ' ARG . 4.4 mmp_? -68.59 -81.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.152 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.23 48.91 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.476 0.655 . . . . 0.0 110.782 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.427 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 75.1 m-85 -136.27 170.23 16.37 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.689 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -73.51 -27.36 61.33 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 119.186 -1.005 . . . . 0.0 109.536 179.597 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.531 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 155.64 -136.31 5.01 Favored Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.692 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -156.54 72.13 0.25 Allowed Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.793 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.443 ' HA ' HD22 ' A' ' 12' ' ' ASN . 47.2 p90 -62.28 138.47 58.43 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 125.61 28.41 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.568 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.648 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -75.75 -165.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.727 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.603 ' HA ' HG22 ' A' ' 2' ' ' THR . 2.8 m -75.23 40.2 0.16 Allowed 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.553 ' NZ ' ' HB3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -175.3 40.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 179.103 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 67.53 -39.33 0.37 Allowed 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -48.21 127.44 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 117.93 19.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.162 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' A' ' 31' ' ' ASN . 61.4 t -93.79 106.48 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.1 0.476 . . . . 0.0 110.294 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 72.5 m -87.45 125.72 34.46 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.374 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.689 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 35.3 ptt180 -172.24 -173.4 1.08 Allowed 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.937 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 . . . . . 0 C--N 1.306 -1.324 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.483 179.719 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . . . . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.445 0.164 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.478 ' HB ' ' O ' ' A' ' 30' ' ' CYS . 1.2 m 50.63 47.74 23.81 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.751 0.657 . . . . 0.0 111.191 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.61 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -158.32 44.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.255 -178.824 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.2 t70 77.43 -29.56 0.17 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.479 0.712 . . . . 0.0 111.529 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.42 ' H ' ' C ' ' A' ' 3' ' ' CYS . 33.3 tp 71.66 44.71 0.49 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.467 0.707 . . . . 0.0 111.783 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.07 -44.2 76.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.128 0.49 . . . . 0.0 109.957 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 67.8 m -163.65 103.47 0.92 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 7' ' ' SER . 55.7 mtmt 71.85 -56.58 0.64 Allowed 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.788 0.68 . . . . 0.0 109.667 -177.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.416 ' HA ' ' HB3' ' A' ' 1' ' ' ALA . 6.1 m95 -137.49 -69.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.697 HD21 ' HE3' ' A' ' 11' ' ' TRP . 55.3 t30 -175.76 -55.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.066 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.697 ' HE3' HD21 ' A' ' 10' ' ' ASN . 9.6 p90 -141.05 -49.35 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.401 ' HB3' ' H ' ' A' ' 13' ' ' HIS . 9.8 t-20 41.43 -90.45 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 176.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.401 ' H ' ' HB3' ' A' ' 12' ' ' ASN . 40.3 m80 -74.97 11.92 0.99 Allowed 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.492 ' HB ' ' HD1' ' A' ' 11' ' ' TRP . 97.9 m -64.26 -34.34 77.88 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.065 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 16' ' ' CYS . 1.4 pt? -167.93 -40.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.066 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.484 ' HB3' ' HB2' ' A' ' 36' ' ' CYS . 77.0 m -60.82 -57.4 12.83 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -58.18 -40.48 81.59 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.476 -178.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.2 -41.17 78.87 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.166 0.508 . . . . 0.0 110.393 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -59.86 -41.12 90.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.956 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -70.66 -40.96 72.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.363 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 17' ' ' ALA . 80.3 mt -56.73 -37.39 52.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 120.951 0.405 . . . . 0.0 110.828 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.56 -33.12 74.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.232 0.539 . . . . 0.0 109.934 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 75.8 mtp180 -86.03 24.94 1.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.618 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.504 ' HB3' ' O ' ' A' ' 23' ' ' ARG . 41.5 ttt85 75.75 -21.73 0.3 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.517 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 13.0 m-85 -57.19 150.01 18.53 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 122.062 0.145 . . . . 0.0 110.847 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 40' ' ' ASN . 12.8 ptp180 -61.02 -35.12 76.03 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.388 0.613 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 161.01 -132.09 2.78 Favored Glycine 0 N--CA 1.434 -1.44 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.58 154.53 21.51 Favored Glycine 0 N--CA 1.439 -1.166 0 C-N-CA 120.573 -0.823 . . . . 0.0 112.259 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.499 ' CD1' ' HB3' ' A' ' 39' ' ' ARG . 42.4 p90 -131.13 136.15 48.1 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.572 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 14.9 m -82.67 123.01 28.87 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.606 -179.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' A' ' 33' ' ' LYS . 31.7 m-20 -79.14 -178.76 6.33 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.4 m -72.29 35.96 0.07 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.083 0.468 . . . . 0.0 111.633 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.491 ' H ' ' C ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -149.98 18.1 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.78 179.286 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 54.49 54.16 9.74 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.139 0.495 . . . . 0.0 111.087 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 58.7 t -119.17 129.91 74.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.818 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 16' ' ' CYS . 5.0 p -80.57 78.43 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.704 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.5 t -87.32 131.73 34.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.718 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 65.7 m -69.2 141.99 54.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.294 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.499 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 12.0 ptm180 -145.89 134.33 21.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.093 0.473 . . . . 0.0 110.371 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' A' ' 26' ' ' ARG . 59.3 m-80 . . . . . 0 C--N 1.316 -0.866 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.204 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.929 0.395 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.3 m -77.24 47.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 110.197 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.627 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 1.6 m -92.95 -35.54 13.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.343 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -173.25 -35.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.69 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.2 tp -149.47 -82.59 0.11 Allowed 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.738 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -175.83 -89.54 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 9' ' ' TRP . 13.5 m 53.79 33.96 18.09 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.449 0.468 . . . . 0.0 110.695 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.42 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 33.9 mmtp 74.88 -51.44 0.67 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 -175.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.497 ' H ' ' C ' ' A' ' 7' ' ' SER . 4.1 m0 -157.54 113.39 2.84 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 126.425 1.89 . . . . 0.0 106.298 176.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.644 HD21 ' HE3' ' A' ' 11' ' ' TRP . 2.3 t30 -44.88 -54.05 6.88 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.512 -175.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.644 ' HE3' HD21 ' A' ' 10' ' ' ASN . 12.2 p90 -152.11 -54.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.418 ' C ' ' HB1' ' A' ' 17' ' ' ALA . 7.6 m120 46.32 -93.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 177.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.799 ' HD2' HD12 ' A' ' 21' ' ' ILE . 68.2 m80 -72.42 7.56 1.76 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.602 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.1 m -60.76 -48.12 83.24 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.144 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -152.94 -43.64 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.249 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 t -58.83 -57.79 11.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.356 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.43 ' HB2' ' N ' ' A' ' 28' ' ' GLY . . . -70.8 -17.86 62.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.67 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.27 92.25 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -61.71 -37.39 84.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.772 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.8 m -64.18 -41.16 97.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.751 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.799 HD12 ' HD2' ' A' ' 13' ' ' HIS . 68.2 mt -63.54 -41.53 92.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.993 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.4 -42.46 82.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.11 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -66.57 -79.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.94 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? 176.27 43.24 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.019 0.438 . . . . 0.0 111.006 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -128.37 165.09 21.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.432 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 5.5 ptp180 -66.53 -32.36 73.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 122.182 0.991 . . . . 0.0 109.73 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.639 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 155.83 -125.99 1.74 Allowed Glycine 0 N--CA 1.428 -1.839 0 N-CA-C 108.52 -1.832 . . . . 0.0 108.52 -178.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.43 ' N ' ' HB2' ' A' ' 17' ' ' ALA . . . -174.87 124.3 1.0 Allowed Glycine 0 N--CA 1.433 -1.535 0 C-N-CA 119.831 -1.176 . . . . 0.0 112.823 178.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -81.28 149.66 28.88 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 34.6 m -72.23 129.43 38.41 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.399 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.472 ' OD1' ' HG2' ' A' ' 33' ' ' LYS . 24.0 p30 -86.18 -154.99 0.23 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 m -64.35 -35.42 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -99.3 30.8 3.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.73 0.3 . . . . 0.0 111.612 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.627 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . . . 57.2 19.09 4.62 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.42 ' HB ' HD22 ' A' ' 31' ' ' ASN . 47.7 t -90.68 136.87 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.8 p -72.71 127.26 32.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.963 0.411 . . . . 0.0 110.636 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.412 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 48.5 t -95.12 101.59 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.686 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.639 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 42.1 m -64.02 117.61 7.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.589 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.574 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 2.2 ptp180 -173.81 148.92 1.5 Allowed 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.994 0.426 . . . . 0.0 110.437 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.15 179.233 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.771 0.319 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.2 m -75.03 -105.54 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.758 ' SG ' ' HB3' ' A' ' 11' ' ' TRP . 4.6 p 35.51 -110.78 0.06 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 177.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 24.7 t70 -55.43 -80.68 0.02 OUTLIER 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.017 0.527 . . . . 0.0 111.307 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 35.1 tp 172.05 -91.49 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -168.93 43.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.409 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 m -64.44 -92.89 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.483 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -73.64 -30.4 62.92 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.829 ' HE1' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -170.32 -31.06 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.632 -1.622 . . . . 0.0 106.795 179.033 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.524 HD22 ' ND2' ' A' ' 12' ' ' ASN . 8.0 p-10 146.34 -151.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 127.099 2.16 . . . . 0.0 106.483 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.758 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 24.3 t90 -74.95 -117.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.829 ' HB2' ' HE1' ' A' ' 9' ' ' TRP . 78.5 m-20 58.05 -100.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.312 0.506 . . . . 0.0 111.582 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -64.39 -1.53 1.76 Allowed 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.587 ' HB ' ' HD1' ' A' ' 11' ' ' TRP . 59.8 m -53.36 -50.92 64.05 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.966 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 14' ' ' THR . 63.8 mt -161.05 -46.88 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.134 0.492 . . . . 0.0 110.248 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -56.91 -51.53 68.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.01 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.562 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -69.57 -39.11 77.54 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.97 -46.39 61.19 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.522 0.514 . . . . 0.0 111.268 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.47 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 64.9 t60 -58.45 -47.93 82.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.731 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 71.9 m -70.7 -32.57 69.83 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.124 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 17' ' ' ALA . 69.4 mt -60.24 -41.24 86.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 121.273 0.559 . . . . 0.0 109.501 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.92 -27.63 68.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.548 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 31.0 mmm180 -80.67 14.46 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.881 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 75.16 25.99 1.27 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.946 0.898 . . . . 0.0 111.986 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.489 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 4.1 m-85 -106.42 164.99 11.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.463 ' H ' ' HA ' ' A' ' 40' ' ' ASN . 38.3 ttm-85 -62.76 -41.9 99.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.713 0.768 . . . . 0.0 108.95 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.621 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 158.04 -122.48 1.16 Allowed Glycine 0 N--CA 1.438 -1.213 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.789 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -173.15 96.81 0.11 Allowed Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.738 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 21.9 p90 -73.93 145.9 44.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.894 0.378 . . . . 0.0 111.917 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.611 ' SG ' ' HE3' ' A' ' 11' ' ' TRP . 18.9 m -68.24 117.34 9.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.419 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.415 HD22 ' HB ' ' A' ' 35' ' ' VAL . 34.3 p30 -92.37 -164.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.916 -0.714 . . . . 0.0 109.589 177.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -69.82 -36.22 75.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.912 0.387 . . . . 0.0 111.332 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -81.61 15.13 2.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.78 -179.515 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 57.91 38.2 26.96 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.158 0.504 . . . . 0.0 111.179 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.415 ' HB ' HD22 ' A' ' 31' ' ' ASN . 83.7 t -116.53 138.29 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.354 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.2 p -79.94 114.21 18.68 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.469 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 47.3 t -81.07 94.27 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.037 0.446 . . . . 0.0 110.013 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.621 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 71.5 m -74.14 123.57 24.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.276 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 -160.88 144.19 13.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.227 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.463 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.344 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.891 0.377 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.1 m -54.97 -21.66 12.56 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.006 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' A' ' 34' ' ' ALA . 54.5 m -48.52 -47.82 38.72 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.741 0.416 . . . . 0.0 111.181 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.499 ' HB3' ' OD1' ' A' ' 10' ' ' ASN . 31.7 t70 171.4 -32.2 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.675 0.609 . . . . 0.0 110.063 178.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 9' ' ' TRP . 35.8 tp 72.94 43.06 0.43 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.001 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 7' ' ' SER . . . -87.3 28.38 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.361 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 13.8 t 174.72 -140.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HB3' ' CD1' ' A' ' 9' ' ' TRP . 18.0 tptt -62.83 -42.8 99.88 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.689 ' HB2' ' OD1' ' A' ' 12' ' ' ASN . 3.3 m95 -136.97 -49.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 177.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.594 HD21 ' HE3' ' A' ' 11' ' ' TRP . 3.6 t30 173.28 -60.1 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.54 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.635 ' HE1' ' HB2' ' A' ' 16' ' ' CYS . 16.9 p90 -149.55 -53.73 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.689 ' OD1' ' HB2' ' A' ' 9' ' ' TRP . 4.9 m120 42.57 -96.49 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 176.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.48 ' HD2' HD11 ' A' ' 21' ' ' ILE . 48.2 m80 -57.04 -13.21 2.6 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.861 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 97.3 m -53.82 -39.68 65.76 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 123.35 0.406 . . . . 0.0 111.016 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 pp -168.09 -37.79 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.836 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.635 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 5.2 t -62.28 -49.99 73.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.15 0.5 . . . . 0.0 110.878 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.452 ' HB2' ' C ' ' A' ' 12' ' ' ASN . . . -74.31 -18.53 60.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.816 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.29 -41.96 76.75 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.07 0.462 . . . . 0.0 110.048 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -60.72 -40.72 93.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.147 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.4 m -66.43 -45.48 79.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.778 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.48 HD11 ' HD2' ' A' ' 13' ' ' HIS . 52.8 mt -59.09 -43.66 89.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 110.49 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.94 76.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.345 0.593 . . . . 0.0 110.212 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -85.02 18.15 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.722 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 67.84 62.38 0.41 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 122.953 0.501 . . . . 0.0 111.678 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 83.1 m-85 -145.5 166.44 25.67 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -73.5 -34.87 65.49 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.996 0.903 . . . . 0.0 108.862 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.581 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 160.14 -137.34 4.99 Favored Glycine 0 N--CA 1.433 -1.55 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -152.19 124.09 1.58 Allowed Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.233 -0.984 . . . . 0.0 111.738 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -78.33 147.6 34.14 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.594 ' SG ' ' HA ' ' A' ' 34' ' ' ALA . 36.0 t -79.2 136.03 36.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.573 0.225 . . . . 0.0 110.397 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.425 ' ND2' ' HB ' ' A' ' 35' ' ' VAL . 52.9 p30 -104.09 -159.28 0.71 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.3 m -68.21 -25.64 65.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -109.73 27.87 9.14 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.594 ' HA ' ' SG ' ' A' ' 30' ' ' CYS . . . 57.95 25.85 12.7 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 178.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.425 ' HB ' ' ND2' ' A' ' 31' ' ' ASN . 74.3 t -91.76 125.26 44.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.5 p -81.31 98.73 8.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.146 0.498 . . . . 0.0 110.318 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.51 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 38.5 t -76.44 113.75 15.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.108 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.581 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 67.9 m -60.27 128.89 38.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.056 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -155.21 149.24 25.72 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.711 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 p30 . . . . . 0 C--O 1.255 1.343 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.759 179.439 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.444 ' HB2' HD11 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 121.154 0.502 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.576 ' HB ' ' O ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -85.01 -144.59 0.09 Allowed 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.158 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.5 m 54.17 45.53 27.21 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.946 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.8 t70 73.27 -15.69 0.53 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.658 0.783 . . . . 0.0 112.635 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 1' ' ' ALA . 16.7 tp 56.42 36.62 27.83 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.301 0.572 . . . . 0.0 110.732 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.33 -33.16 74.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.655 0.741 . . . . 0.0 109.515 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.9 m -152.93 -157.19 0.77 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' C ' ' HD1' ' A' ' 9' ' ' TRP . 54.9 mtmt -65.95 94.74 0.24 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.937 ' HB2' ' HB2' ' A' ' 12' ' ' ASN . 0.6 OUTLIER 55.13 32.81 19.11 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.67 HD21 ' HE3' ' A' ' 11' ' ' TRP . 57.5 t30 62.95 -109.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 113.428 -1.715 . . . . 0.0 110.123 -177.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.67 ' HE3' HD21 ' A' ' 10' ' ' ASN . 6.5 p90 -77.7 -52.85 8.29 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.197 -0.601 . . . . 0.0 109.412 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.937 ' HB2' ' HB2' ' A' ' 9' ' ' TRP . 63.3 t30 44.97 -104.14 0.08 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 177.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -54.57 -18.06 3.98 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 124.585 1.154 . . . . 0.0 111.921 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.6 m -53.93 -43.52 69.84 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.556 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.9 mt -147.97 -59.15 0.25 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.71 -48.8 80.16 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.507 ' HB2' ' C ' ' A' ' 12' ' ' ASN . . . -70.24 -32.3 70.1 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.432 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.43 -38.66 77.92 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.891 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -59.28 -40.49 86.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.56 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.7 m -69.64 -41.54 75.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.449 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 17' ' ' ALA . 82.9 mt -57.09 -41.25 77.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.081 0.467 . . . . 0.0 110.049 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.91 82.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.397 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -81.01 18.47 1.02 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.633 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 65.45 30.57 10.77 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 122.961 0.505 . . . . 0.0 111.918 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -105.94 158.42 16.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -62.01 -43.15 99.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.866 0.841 . . . . 0.0 108.859 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.491 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 162.0 -132.88 2.94 Favored Glycine 0 N--CA 1.436 -1.36 0 N-CA-C 109.196 -1.561 . . . . 0.0 109.196 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.42 132.2 2.54 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.37 -0.919 . . . . 0.0 111.222 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 0.4 OUTLIER -69.22 131.0 44.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.073 0.463 . . . . 0.0 110.958 -179.269 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.587 ' H ' ' HE3' ' A' ' 9' ' ' TRP . 4.2 t -85.67 92.55 8.6 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.438 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.711 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 3.0 m120 -71.63 164.42 25.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.5 m -47.94 -43.72 29.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 11.8 mptt -88.09 31.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.662 ' HB3' ' HH2' ' A' ' 11' ' ' TRP . . . 56.54 35.5 26.12 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.206 0.527 . . . . 0.0 111.31 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.711 ' HB ' ' HB2' ' A' ' 31' ' ' ASN . 3.5 t -83.28 60.37 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.775 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 1.2 p -70.83 70.13 0.48 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.863 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.511 HG21 HG12 ' A' ' 35' ' ' VAL . 94.1 t -76.49 128.41 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.348 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 74.5 m -58.46 129.98 44.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.61 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HD2' ' C ' ' A' ' 39' ' ' ARG . 5.9 ppt_? -150.22 145.94 26.53 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.582 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 . . . . . 0 C--N 1.313 -1.01 0 CA-C-O 118.424 -0.798 . . . . 0.0 108.875 179.521 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 121.108 0.48 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.705 ' HB ' ' HA ' ' A' ' 32' ' ' SER . 7.0 m -92.89 -123.52 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 74.1 m 53.97 -117.1 1.13 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 118.801 0.728 . . . . 0.0 109.557 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.479 ' HB2' ' O ' ' A' ' 3' ' ' CYS . 45.3 t0 174.29 73.5 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.092 0.245 . . . . 0.0 111.456 178.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.772 ' HB3' ' HA ' ' A' ' 10' ' ' ASN . 25.1 tp -133.21 -70.88 0.53 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 119.644 -0.822 . . . . 0.0 112.092 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 68.32 -30.55 0.18 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 5' ' ' LEU . 18.2 m -47.24 -71.53 0.07 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 117.916 0.326 . . . . 0.0 111.05 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.09 -44.34 69.26 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 177.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.66 ' HZ2' ' ND1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER 174.2 -38.88 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 113.036 -1.893 . . . . 0.0 107.422 177.31 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.772 ' HA ' ' HB3' ' A' ' 5' ' ' LEU . 5.2 t-20 174.01 -179.82 0.1 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.79 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.755 ' HE3' ' HB2' ' A' ' 30' ' ' CYS . 40.5 t90 -53.47 -24.33 12.63 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.714 0.805 . . . . 0.0 110.845 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.642 ' OD1' ' HB3' ' A' ' 10' ' ' ASN . 2.4 m-20 -25.01 -85.23 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.427 1.491 . . . . 0.0 114.113 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.66 ' ND1' ' HZ2' ' A' ' 9' ' ' TRP . 6.0 m80 -92.64 43.4 1.13 Allowed 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.903 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.604 HG23 ' HG ' ' A' ' 15' ' ' LEU . 2.2 t -86.29 -33.29 20.69 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 119.265 -0.974 . . . . 0.0 110.112 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.604 ' HG ' HG23 ' A' ' 14' ' ' THR . 4.2 pp -175.21 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.251 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 9.6 p -66.82 -41.97 86.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.662 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -61.81 -36.51 81.32 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.428 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.495 ' HA ' HD13 ' A' ' 21' ' ' ILE . . . -53.39 -36.49 61.49 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.599 0.562 . . . . 0.0 109.827 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 16' ' ' CYS . 78.1 t60 -63.2 -44.15 96.17 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.082 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.2 m -64.21 -33.31 75.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.558 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 18' ' ' ALA . 72.3 mt -61.61 -43.28 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.197 0.522 . . . . 0.0 109.874 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.69 -31.77 71.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 109.106 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 11.6 tpp180 -74.82 -1.78 23.71 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.481 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.64 ' HA ' ' HE ' ' A' ' 24' ' ' ARG . 3.5 mmp_? 74.64 51.19 0.09 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.713 0.768 . . . . 0.0 111.76 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.649 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 33.1 m-85 -136.3 157.45 46.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.818 178.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.486 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 10.1 ttm180 -52.15 -43.17 63.92 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 122.085 0.945 . . . . 0.0 109.266 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 159.31 -143.03 8.77 Favored Glycine 0 N--CA 1.431 -1.691 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.237 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.81 141.41 9.43 Favored Glycine 0 N--CA 1.434 -1.483 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.456 ' HA ' ' ND2' ' A' ' 12' ' ' ASN . 34.6 p90 -108.54 140.62 41.63 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.755 ' HB2' ' HE3' ' A' ' 11' ' ' TRP . 2.2 t -66.0 110.21 2.84 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -61.81 -70.66 0.18 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.98 0.419 . . . . 0.0 110.549 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.705 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 23.6 t -176.4 -46.83 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -87.76 31.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.263 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.57 34.71 17.68 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.567 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -97.12 121.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.477 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.624 ' HB2' ' CH2' ' A' ' 11' ' ' TRP . 7.8 t -92.97 82.21 4.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.966 0.412 . . . . 0.0 110.095 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.413 ' HB ' ' CE1' ' A' ' 29' ' ' TYR . 25.2 t -71.35 115.11 10.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.366 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 74.7 m -68.92 131.53 45.24 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.486 ' O ' ' HB3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -130.98 138.93 49.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.617 -179.308 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.649 ' HB2' ' HA ' ' A' ' 25' ' ' TYR . 12.3 t-20 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.029 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.599 ' HB3' HD11 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.82 0.343 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 5.3 m -63.46 94.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.982 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.1 p -177.84 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.943 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.909 ' HB3' ' HB3' ' A' ' 10' ' ' ASN . 10.9 t70 -176.79 -45.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.013 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 1' ' ' ALA . 45.0 tp 61.64 45.53 7.97 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.926 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 10' ' ' ASN . . . -74.8 -42.35 58.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.457 0.646 . . . . 0.0 110.129 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 50.1 m -152.51 87.31 1.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.774 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 7' ' ' SER . 2.8 mppt? 74.52 -52.23 0.68 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.802 0.841 . . . . 0.0 109.387 -177.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -171.0 100.49 0.21 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.281 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.909 ' HB3' ' HB3' ' A' ' 4' ' ' ASP . 49.7 t30 -65.39 162.19 18.21 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.51 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 23.0 t90 68.4 -114.54 0.14 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 105.568 -2.012 . . . . 0.0 105.568 -177.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.465 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 19.5 t-20 49.55 -99.79 0.07 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 176.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -57.28 -22.36 41.03 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 124.18 0.992 . . . . 0.0 111.931 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.519 HG21 HD22 ' A' ' 15' ' ' LEU . 89.5 m -40.43 -48.5 2.76 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -177.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.519 HD22 HG21 ' A' ' 14' ' ' THR . 2.3 pp -166.48 -36.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.864 0.364 . . . . 0.0 110.724 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.0 t -62.07 -50.35 72.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.432 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.527 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -69.07 -29.16 67.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.197 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HA ' HD12 ' A' ' 21' ' ' ILE . . . -52.41 -35.25 51.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.2 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -62.13 -45.81 91.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.217 0.532 . . . . 0.0 110.093 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.9 m -67.87 -34.44 76.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.666 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 17' ' ' ALA . 63.5 mt -62.1 -44.15 98.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.939 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.82 75.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.969 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.522 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 15.4 tpt180 -65.58 -59.94 3.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.868 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.522 ' HB3' ' O ' ' A' ' 23' ' ' ARG . 9.1 ptm180 164.05 -17.47 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.952 0.783 . . . . 0.0 110.85 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 71.4 m-85 -76.8 163.83 26.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.34 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.562 ' CB ' ' HA ' ' A' ' 40' ' ' ASN . 51.2 ttt180 -62.42 -42.73 99.66 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.606 0.717 . . . . 0.0 109.235 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 168.64 -120.72 0.9 Allowed Glycine 0 N--CA 1.432 -1.581 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -168.58 129.77 1.95 Allowed Glycine 0 N--CA 1.438 -1.233 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -65.93 163.34 17.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.689 0.281 . . . . 0.0 110.813 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 2' ' ' THR . 89.6 m -78.71 102.26 7.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.112 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.518 ' HB3' ' H ' ' A' ' 35' ' ' VAL . 24.0 t-20 -71.36 154.81 41.3 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.7 m -55.61 -38.5 69.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.351 0.596 . . . . 0.0 110.189 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.823 ' HG3' HG22 ' A' ' 35' ' ' VAL . 17.4 ptpt -86.93 26.74 1.1 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.02 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 54.12 46.83 24.58 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.823 HG22 ' HG3' ' A' ' 33' ' ' LYS . 91.4 t -116.64 132.84 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.381 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.2 p -90.4 82.65 5.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.06 0.457 . . . . 0.0 110.629 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.405 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 39.7 t -67.23 117.03 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.8 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 86.8 m -50.89 121.57 6.17 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 123.547 0.529 . . . . 0.0 111.323 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.09 150.49 18.6 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.821 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.562 ' HA ' ' CB ' ' A' ' 26' ' ' ARG . 49.6 t30 . . . . . 0 C--N 1.308 -1.21 0 CA-C-O 118.503 -0.761 . . . . 0.0 109.567 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.636 ' HB2' ' HB3' ' A' ' 9' ' ' TRP . . . . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.94 0.4 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.48 -166.59 1.26 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.118 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 10' ' ' ASN . 3.2 m 61.28 35.11 18.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.76 177.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 60.66 56.17 3.1 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.783 ' HA ' ' H ' ' A' ' 10' ' ' ASN . 0.3 OUTLIER -38.3 79.06 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.628 ' H ' ' HB2' ' A' ' 10' ' ' ASN . . . -64.25 -48.67 74.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.3 p -103.13 -124.95 0.2 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -69.54 -40.15 77.05 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 176.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.636 ' HB3' ' HB2' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -166.26 114.25 0.9 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.358 -1.747 . . . . 0.0 107.789 177.286 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.783 ' H ' ' HA ' ' A' ' 5' ' ' LEU . 34.9 t30 -53.71 145.02 16.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.093 -178.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.446 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 23.5 t90 68.01 -118.18 0.19 Allowed 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.427 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 12.8 t-20 57.5 -116.18 0.92 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 120.958 0.409 . . . . 0.0 111.711 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.422 ' ND1' ' H ' ' A' ' 13' ' ' HIS . 10.2 p-80 -61.83 4.43 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -178.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.7 m -61.9 -36.38 81.14 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.318 0.58 . . . . 0.0 109.596 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -165.73 -36.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.286 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 17' ' ' ALA . 8.1 p -67.36 -50.83 58.22 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.086 -0.245 . . . . 0.0 111.598 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' N ' ' SG ' ' A' ' 16' ' ' CYS . . . -71.98 -25.53 61.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 0.0 110.651 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.23 -35.16 69.35 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.332 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.34 -43.77 98.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.669 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.6 m -66.83 -43.41 83.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.369 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 76.5 mt -55.86 -41.27 66.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.264 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.21 -37.72 88.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.76 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -81.7 18.03 1.34 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.46 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 69.63 45.43 0.79 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.512 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.586 ' HA ' ' OD1' ' A' ' 40' ' ' ASN . 34.3 m-85 -121.81 155.78 34.62 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.611 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 9.9 ttm-85 -58.04 -40.71 81.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.97 0.89 . . . . 0.0 109.563 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.62 -132.5 2.93 Favored Glycine 0 N--CA 1.434 -1.442 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.82 130.45 2.07 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.585 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -70.88 140.58 51.11 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 p -90.68 130.21 36.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.377 0.608 . . . . 0.0 110.081 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.55 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 4.1 m120 -85.76 149.37 25.32 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.091 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -56.2 -28.57 58.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.977 0.418 . . . . 0.0 110.534 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -85.63 20.16 2.2 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.672 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.53 54.63 1.88 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.213 0.53 . . . . 0.0 111.844 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.55 ' HB ' ' HB2' ' A' ' 31' ' ' ASN . 22.0 t -128.47 144.17 38.77 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.68 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.1 m -126.99 110.95 13.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.202 0.525 . . . . 0.0 111.509 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.8 t -99.42 126.95 52.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.001 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.3 m -58.88 137.34 57.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.283 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.611 ' O ' ' HB3' ' A' ' 26' ' ' ARG . 9.8 ptm180 -146.18 142.49 28.48 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.586 ' OD1' ' HA ' ' A' ' 25' ' ' TYR . 55.2 m-20 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.049 -0.976 . . . . 0.0 110.062 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.338 0.59 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.436 ' HB ' ' HA ' ' A' ' 32' ' ' SER . 1.7 m -98.96 50.79 0.96 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.462 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.871 ' SG ' ' HA ' ' A' ' 34' ' ' ALA . 65.8 m -140.56 97.09 3.14 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.505 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.54 -42.44 0.44 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.025 0.93 . . . . 0.0 112.987 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 18.5 tp 66.12 25.39 10.78 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.293 0.637 . . . . 0.0 111.113 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.48 77.73 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 p -107.19 -53.41 2.62 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 43.2 pttt -174.11 -45.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.724 -1.58 . . . . 0.0 108.247 177.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.441 ' HB3' ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -136.99 34.68 2.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.51 0.672 . . . . 0.0 110.119 177.708 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.634 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 26.4 t30 51.12 -125.15 2.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.14 -1.391 . . . . 0.0 112.671 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.634 ' HE3' ' HB3' ' A' ' 10' ' ' ASN . 2.5 p90 -63.91 -61.05 2.53 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -177.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 19.6 t-20 51.65 -94.3 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -67.85 -10.08 49.99 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 123.094 0.558 . . . . 0.0 111.855 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.5 m -53.86 -36.59 62.78 Favored 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 123.434 0.459 . . . . 0.0 111.502 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -165.47 -34.3 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.592 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 t -67.24 -52.58 39.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 111.3 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.87 -23.25 64.19 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.388 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.51 -35.59 70.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.091 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -63.24 -38.95 93.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.141 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.8 m -72.01 -44.27 63.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.568 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.4 mt -65.14 -38.09 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.996 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.28 68.32 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.489 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.12 -86.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.1 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -172.61 36.4 0.01 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.031 0.443 . . . . 0.0 111.189 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -108.82 172.01 7.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.443 ' H ' ' HA ' ' A' ' 40' ' ' ASN . 25.1 ttm180 -71.6 -44.26 64.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.156 0.979 . . . . 0.0 108.523 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.75 -136.81 4.18 Favored Glycine 0 N--CA 1.432 -1.574 0 CA-C-N 113.806 -1.543 . . . . 0.0 109.547 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.62 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -154.66 95.34 0.15 Allowed Glycine 0 N--CA 1.438 -1.215 0 C-N-CA 120.215 -0.993 . . . . 0.0 111.599 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -60.47 133.3 55.96 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 t -76.53 119.23 20.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.388 -177.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -85.64 -167.31 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.936 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.436 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 32.4 t -70.43 -28.19 64.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.66 0.267 . . . . 0.0 111.654 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -83.78 10.44 9.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.708 -0.223 . . . . 0.0 111.542 -179.52 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.871 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . . . 59.97 42.19 16.43 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.222 0.534 . . . . 0.0 111.478 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.63 139.41 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.978 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.424 ' HB2' ' HA3' ' A' ' 28' ' ' GLY . 25.0 p -83.45 119.99 25.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.006 0.431 . . . . 0.0 110.14 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.62 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 22.9 t -88.41 109.03 19.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.199 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.8 m -64.74 117.95 8.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.629 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -167.08 148.41 5.83 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.94 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.443 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 18.7 p30 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.757 -0.639 . . . . 0.0 109.458 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 9' ' ' TRP . . . . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.898 0.38 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.603 HG22 ' HA ' ' A' ' 32' ' ' SER . 6.1 m -66.52 -23.49 66.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.788 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.502 ' C ' ' H ' ' A' ' 5' ' ' LEU . 1.4 p -71.82 61.94 0.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.3 t70 69.12 -24.56 0.14 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.502 ' H ' ' C ' ' A' ' 3' ' ' CYS . 34.2 tp 69.62 32.73 3.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.531 0.681 . . . . 0.0 109.97 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.41 113.82 5.59 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.5 m 68.31 -66.84 0.21 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 124.0 0.812 . . . . 0.0 110.652 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.803 ' HZ2' ' HB3' ' A' ' 8' ' ' LYS . 7.9 mtpm? -140.83 -55.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.461 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -152.85 46.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.598 178.522 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.439 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 0.5 OUTLIER 60.57 -136.21 0.66 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.496 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.462 ' HE3' ' H ' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -64.28 -49.1 73.14 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 9' ' ' TRP . 13.7 t-20 44.05 -103.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.444 ' H ' ' HB3' ' A' ' 12' ' ' ASN . 5.4 p-80 -75.76 21.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -177.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 p -76.85 -34.53 57.83 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.511 0.672 . . . . 0.0 109.22 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp -160.92 -44.15 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.106 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.99 -55.68 17.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.71 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.5 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -77.4 -34.3 54.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.531 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.93 -44.64 67.17 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.731 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -56.99 -42.56 80.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.012 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.7 m -72.39 -35.9 68.55 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.549 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 17' ' ' ALA . 67.2 mt -63.88 -45.96 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.29 0.567 . . . . 0.0 109.536 178.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.87 74.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.637 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.517 ' HA ' ' NE ' ' A' ' 23' ' ' ARG . 4.4 mmp_? -68.59 -81.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.152 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.23 48.91 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.476 0.655 . . . . 0.0 110.782 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.427 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 75.1 m-85 -136.27 170.23 16.37 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.689 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -73.51 -27.36 61.33 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 119.186 -1.005 . . . . 0.0 109.536 179.597 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.531 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 155.64 -136.31 5.01 Favored Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.692 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -156.54 72.13 0.25 Allowed Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.793 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.443 ' HA ' HD22 ' A' ' 12' ' ' ASN . 47.2 p90 -62.28 138.47 58.43 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 125.61 28.41 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.568 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.648 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -75.75 -165.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.727 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.603 ' HA ' HG22 ' A' ' 2' ' ' THR . 2.8 m -75.23 40.2 0.16 Allowed 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.553 ' NZ ' ' HB3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -175.3 40.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 179.103 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 67.53 -39.33 0.37 Allowed 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -48.21 127.44 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 117.93 19.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.162 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' A' ' 31' ' ' ASN . 61.4 t -93.79 106.48 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.1 0.476 . . . . 0.0 110.294 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 72.5 m -87.45 125.72 34.46 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.374 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.689 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 35.3 ptt180 -172.24 -173.4 1.08 Allowed 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.937 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 . . . . . 0 C--N 1.306 -1.324 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.483 179.719 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . . . . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.445 0.164 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.478 ' HB ' ' O ' ' A' ' 30' ' ' CYS . 1.2 m 50.63 47.74 23.81 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.751 0.657 . . . . 0.0 111.191 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.61 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -158.32 44.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.255 -178.824 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.2 t70 77.43 -29.56 0.17 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.479 0.712 . . . . 0.0 111.529 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.42 ' H ' ' C ' ' A' ' 3' ' ' CYS . 33.3 tp 71.66 44.71 0.49 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.467 0.707 . . . . 0.0 111.783 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.07 -44.2 76.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.128 0.49 . . . . 0.0 109.957 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 67.8 m -163.65 103.47 0.92 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 7' ' ' SER . 55.7 mtmt 71.85 -56.58 0.64 Allowed 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.788 0.68 . . . . 0.0 109.667 -177.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.416 ' HA ' ' HB3' ' A' ' 1' ' ' ALA . 6.1 m95 -137.49 -69.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.697 HD21 ' HE3' ' A' ' 11' ' ' TRP . 55.3 t30 -175.76 -55.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.066 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.697 ' HE3' HD21 ' A' ' 10' ' ' ASN . 9.6 p90 -141.05 -49.35 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.401 ' HB3' ' H ' ' A' ' 13' ' ' HIS . 9.8 t-20 41.43 -90.45 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 176.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.401 ' H ' ' HB3' ' A' ' 12' ' ' ASN . 40.3 m80 -74.97 11.92 0.99 Allowed 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.492 ' HB ' ' HD1' ' A' ' 11' ' ' TRP . 97.9 m -64.26 -34.34 77.88 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.065 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 16' ' ' CYS . 1.4 pt? -167.93 -40.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.066 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.484 ' HB3' ' HB2' ' A' ' 36' ' ' CYS . 77.0 m -60.82 -57.4 12.83 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -58.18 -40.48 81.59 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.476 -178.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.2 -41.17 78.87 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.166 0.508 . . . . 0.0 110.393 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -59.86 -41.12 90.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.956 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -70.66 -40.96 72.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.363 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 17' ' ' ALA . 80.3 mt -56.73 -37.39 52.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 120.951 0.405 . . . . 0.0 110.828 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.56 -33.12 74.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.232 0.539 . . . . 0.0 109.934 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.504 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 75.8 mtp180 -86.03 24.94 1.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.618 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.504 ' HB3' ' O ' ' A' ' 23' ' ' ARG . 41.5 ttt85 75.75 -21.73 0.3 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.517 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 13.0 m-85 -57.19 150.01 18.53 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 122.062 0.145 . . . . 0.0 110.847 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.507 ' HB3' ' O ' ' A' ' 40' ' ' ASN . 12.8 ptp180 -61.02 -35.12 76.03 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.388 0.613 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 161.01 -132.09 2.78 Favored Glycine 0 N--CA 1.434 -1.44 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.58 154.53 21.51 Favored Glycine 0 N--CA 1.439 -1.166 0 C-N-CA 120.573 -0.823 . . . . 0.0 112.259 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.499 ' CD1' ' HB3' ' A' ' 39' ' ' ARG . 42.4 p90 -131.13 136.15 48.1 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.572 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 14.9 m -82.67 123.01 28.87 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.606 -179.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.491 ' C ' ' H ' ' A' ' 33' ' ' LYS . 31.7 m-20 -79.14 -178.76 6.33 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.4 m -72.29 35.96 0.07 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.083 0.468 . . . . 0.0 111.633 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.491 ' H ' ' C ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -149.98 18.1 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.78 179.286 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 54.49 54.16 9.74 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.139 0.495 . . . . 0.0 111.087 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 58.7 t -119.17 129.91 74.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.818 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 16' ' ' CYS . 5.0 p -80.57 78.43 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.704 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.5 t -87.32 131.73 34.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.718 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 65.7 m -69.2 141.99 54.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.294 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.499 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 12.0 ptm180 -145.89 134.33 21.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.093 0.473 . . . . 0.0 110.371 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' A' ' 26' ' ' ARG . 59.3 m-80 . . . . . 0 C--N 1.316 -0.866 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.204 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.929 0.395 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.3 m -77.24 47.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 110.197 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.627 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 1.6 m -92.95 -35.54 13.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.343 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -173.25 -35.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.69 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.2 tp -149.47 -82.59 0.11 Allowed 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.738 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -175.83 -89.54 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.497 ' C ' ' H ' ' A' ' 9' ' ' TRP . 13.5 m 53.79 33.96 18.09 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.449 0.468 . . . . 0.0 110.695 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 33.9 mmtp 74.88 -51.44 0.67 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 -175.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.497 ' H ' ' C ' ' A' ' 7' ' ' SER . 4.1 m0 -157.54 113.39 2.84 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 126.425 1.89 . . . . 0.0 106.298 176.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.644 HD21 ' HE3' ' A' ' 11' ' ' TRP . 2.3 t30 -44.88 -54.05 6.88 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.512 -175.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.644 ' HE3' HD21 ' A' ' 10' ' ' ASN . 12.2 p90 -152.11 -54.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.418 ' C ' ' HB1' ' A' ' 17' ' ' ALA . 7.6 m120 46.32 -93.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 177.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.799 ' HD2' HD12 ' A' ' 21' ' ' ILE . 68.2 m80 -72.42 7.56 1.76 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.602 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.1 m -60.76 -48.12 83.24 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.144 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -152.94 -43.64 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.249 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 t -58.83 -57.79 11.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.356 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.43 ' HB2' ' N ' ' A' ' 28' ' ' GLY . . . -70.8 -17.86 62.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.67 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.27 92.25 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -61.71 -37.39 84.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.772 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.8 m -64.18 -41.16 97.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.751 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.799 HD12 ' HD2' ' A' ' 13' ' ' HIS . 68.2 mt -63.54 -41.53 92.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.993 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.4 -42.46 82.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.11 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -66.57 -79.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.94 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? 176.27 43.24 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.019 0.438 . . . . 0.0 111.006 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -128.37 165.09 21.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.432 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 5.5 ptp180 -66.53 -32.36 73.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 122.182 0.991 . . . . 0.0 109.73 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.639 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 155.83 -125.99 1.74 Allowed Glycine 0 N--CA 1.428 -1.839 0 N-CA-C 108.52 -1.832 . . . . 0.0 108.52 -178.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.43 ' N ' ' HB2' ' A' ' 17' ' ' ALA . . . -174.87 124.3 1.0 Allowed Glycine 0 N--CA 1.433 -1.535 0 C-N-CA 119.831 -1.176 . . . . 0.0 112.823 178.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -81.28 149.66 28.88 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 34.6 m -72.23 129.43 38.41 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.399 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.472 ' OD1' ' HG2' ' A' ' 33' ' ' LYS . 24.0 p30 -86.18 -154.99 0.23 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 m -64.35 -35.42 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -99.3 30.8 3.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.73 0.3 . . . . 0.0 111.612 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.627 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . . . 57.2 19.09 4.62 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.42 ' HB ' HD22 ' A' ' 31' ' ' ASN . 47.7 t -90.68 136.87 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.8 p -72.71 127.26 32.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.963 0.411 . . . . 0.0 110.636 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.412 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 48.5 t -95.12 101.59 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.686 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.639 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 42.1 m -64.02 117.61 7.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.589 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.574 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 2.2 ptp180 -173.81 148.92 1.5 Allowed 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.994 0.426 . . . . 0.0 110.437 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.15 179.233 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.771 0.319 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.2 m -75.03 -105.54 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.758 ' SG ' ' HB3' ' A' ' 11' ' ' TRP . 4.6 p 35.51 -110.78 0.06 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 177.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 24.7 t70 -55.43 -80.68 0.02 OUTLIER 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.017 0.527 . . . . 0.0 111.307 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.49 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 35.1 tp 172.05 -91.49 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -168.93 43.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.409 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 m -64.44 -92.89 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.483 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -73.64 -30.4 62.92 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.829 ' HE1' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -170.32 -31.06 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.632 -1.622 . . . . 0.0 106.795 179.033 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.524 HD22 ' ND2' ' A' ' 12' ' ' ASN . 8.0 p-10 146.34 -151.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 127.099 2.16 . . . . 0.0 106.483 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.758 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 24.3 t90 -74.95 -117.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.829 ' HB2' ' HE1' ' A' ' 9' ' ' TRP . 78.5 m-20 58.05 -100.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.312 0.506 . . . . 0.0 111.582 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -64.39 -1.53 1.76 Allowed 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.587 ' HB ' ' HD1' ' A' ' 11' ' ' TRP . 59.8 m -53.36 -50.92 64.05 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.966 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 14' ' ' THR . 63.8 mt -161.05 -46.88 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.134 0.492 . . . . 0.0 110.248 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -56.91 -51.53 68.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.01 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.562 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -69.57 -39.11 77.54 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.97 -46.39 61.19 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.522 0.514 . . . . 0.0 111.268 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.47 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 64.9 t60 -58.45 -47.93 82.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.731 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 71.9 m -70.7 -32.57 69.83 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.124 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 17' ' ' ALA . 69.4 mt -60.24 -41.24 86.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 121.273 0.559 . . . . 0.0 109.501 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.92 -27.63 68.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.548 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 31.0 mmm180 -80.67 14.46 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.881 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 75.16 25.99 1.27 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.946 0.898 . . . . 0.0 111.986 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.489 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 4.1 m-85 -106.42 164.99 11.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.463 ' H ' ' HA ' ' A' ' 40' ' ' ASN . 38.3 ttm-85 -62.76 -41.9 99.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.713 0.768 . . . . 0.0 108.95 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.621 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 158.04 -122.48 1.16 Allowed Glycine 0 N--CA 1.438 -1.213 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.789 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.469 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -173.15 96.81 0.11 Allowed Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.738 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 21.9 p90 -73.93 145.9 44.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.894 0.378 . . . . 0.0 111.917 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.611 ' SG ' ' HE3' ' A' ' 11' ' ' TRP . 18.9 m -68.24 117.34 9.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.419 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.415 HD22 ' HB ' ' A' ' 35' ' ' VAL . 34.3 p30 -92.37 -164.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.916 -0.714 . . . . 0.0 109.589 177.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -69.82 -36.22 75.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.912 0.387 . . . . 0.0 111.332 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -81.61 15.13 2.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.78 -179.515 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 57.91 38.2 26.96 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.158 0.504 . . . . 0.0 111.179 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.415 ' HB ' HD22 ' A' ' 31' ' ' ASN . 83.7 t -116.53 138.29 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.354 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.2 p -79.94 114.21 18.68 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.469 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 47.3 t -81.07 94.27 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.037 0.446 . . . . 0.0 110.013 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.621 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 71.5 m -74.14 123.57 24.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.276 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 -160.88 144.19 13.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.227 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.463 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.344 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.891 0.377 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.1 m -54.97 -21.66 12.56 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.006 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' A' ' 34' ' ' ALA . 54.5 m -48.52 -47.82 38.72 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.741 0.416 . . . . 0.0 111.181 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.499 ' HB3' ' OD1' ' A' ' 10' ' ' ASN . 31.7 t70 171.4 -32.2 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.675 0.609 . . . . 0.0 110.063 178.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 9' ' ' TRP . 35.8 tp 72.94 43.06 0.43 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.001 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 7' ' ' SER . . . -87.3 28.38 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.361 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 13.8 t 174.72 -140.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' HB3' ' CD1' ' A' ' 9' ' ' TRP . 18.0 tptt -62.83 -42.8 99.88 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.689 ' HB2' ' OD1' ' A' ' 12' ' ' ASN . 3.3 m95 -136.97 -49.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 177.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.594 HD21 ' HE3' ' A' ' 11' ' ' TRP . 3.6 t30 173.28 -60.1 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.54 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.635 ' HE1' ' HB2' ' A' ' 16' ' ' CYS . 16.9 p90 -149.55 -53.73 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.689 ' OD1' ' HB2' ' A' ' 9' ' ' TRP . 4.9 m120 42.57 -96.49 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 176.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.48 ' HD2' HD11 ' A' ' 21' ' ' ILE . 48.2 m80 -57.04 -13.21 2.6 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.861 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 97.3 m -53.82 -39.68 65.76 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 123.35 0.406 . . . . 0.0 111.016 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 pp -168.09 -37.79 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.836 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.635 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 5.2 t -62.28 -49.99 73.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.15 0.5 . . . . 0.0 110.878 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' HB2' ' C ' ' A' ' 12' ' ' ASN . . . -74.31 -18.53 60.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.816 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.29 -41.96 76.75 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.07 0.462 . . . . 0.0 110.048 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -60.72 -40.72 93.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.147 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.4 m -66.43 -45.48 79.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.778 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.48 HD11 ' HD2' ' A' ' 13' ' ' HIS . 52.8 mt -59.09 -43.66 89.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 110.49 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.94 76.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.345 0.593 . . . . 0.0 110.212 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -85.02 18.15 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.722 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 67.84 62.38 0.41 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 122.953 0.501 . . . . 0.0 111.678 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 83.1 m-85 -145.5 166.44 25.67 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -73.5 -34.87 65.49 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.996 0.903 . . . . 0.0 108.862 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.581 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 160.14 -137.34 4.99 Favored Glycine 0 N--CA 1.433 -1.55 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.51 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -152.19 124.09 1.58 Allowed Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.233 -0.984 . . . . 0.0 111.738 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -78.33 147.6 34.14 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.594 ' SG ' ' HA ' ' A' ' 34' ' ' ALA . 36.0 t -79.2 136.03 36.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.573 0.225 . . . . 0.0 110.397 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.425 ' ND2' ' HB ' ' A' ' 35' ' ' VAL . 52.9 p30 -104.09 -159.28 0.71 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.3 m -68.21 -25.64 65.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -109.73 27.87 9.14 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.594 ' HA ' ' SG ' ' A' ' 30' ' ' CYS . . . 57.95 25.85 12.7 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 178.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.425 ' HB ' ' ND2' ' A' ' 31' ' ' ASN . 74.3 t -91.76 125.26 44.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.5 p -81.31 98.73 8.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.146 0.498 . . . . 0.0 110.318 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.51 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 38.5 t -76.44 113.75 15.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.108 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.581 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 67.9 m -60.27 128.89 38.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.056 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -155.21 149.24 25.72 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.711 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 p30 . . . . . 0 C--O 1.255 1.343 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.759 179.439 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.444 ' HB2' HD11 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 121.154 0.502 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.576 ' HB ' ' O ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -85.01 -144.59 0.09 Allowed 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.158 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.5 m 54.17 45.53 27.21 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.946 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.8 t70 73.27 -15.69 0.53 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.658 0.783 . . . . 0.0 112.635 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 1' ' ' ALA . 16.7 tp 56.42 36.62 27.83 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.301 0.572 . . . . 0.0 110.732 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.33 -33.16 74.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.655 0.741 . . . . 0.0 109.515 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.9 m -152.93 -157.19 0.77 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' C ' ' HD1' ' A' ' 9' ' ' TRP . 54.9 mtmt -65.95 94.74 0.24 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.937 ' HB2' ' HB2' ' A' ' 12' ' ' ASN . 0.6 OUTLIER 55.13 32.81 19.11 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.67 HD21 ' HE3' ' A' ' 11' ' ' TRP . 57.5 t30 62.95 -109.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 113.428 -1.715 . . . . 0.0 110.123 -177.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.67 ' HE3' HD21 ' A' ' 10' ' ' ASN . 6.5 p90 -77.7 -52.85 8.29 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.197 -0.601 . . . . 0.0 109.412 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.937 ' HB2' ' HB2' ' A' ' 9' ' ' TRP . 63.3 t30 44.97 -104.14 0.08 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 177.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -54.57 -18.06 3.98 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 124.585 1.154 . . . . 0.0 111.921 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 90.6 m -53.93 -43.52 69.84 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.556 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.9 mt -147.97 -59.15 0.25 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.71 -48.8 80.16 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.507 ' HB2' ' C ' ' A' ' 12' ' ' ASN . . . -70.24 -32.3 70.1 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.432 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.43 -38.66 77.92 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.891 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -59.28 -40.49 86.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.56 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.7 m -69.64 -41.54 75.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.449 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 17' ' ' ALA . 82.9 mt -57.09 -41.25 77.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.081 0.467 . . . . 0.0 110.049 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.91 82.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.397 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -81.01 18.47 1.02 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.633 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 65.45 30.57 10.77 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 122.961 0.505 . . . . 0.0 111.918 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -105.94 158.42 16.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -62.01 -43.15 99.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.866 0.841 . . . . 0.0 108.859 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.491 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 162.0 -132.88 2.94 Favored Glycine 0 N--CA 1.436 -1.36 0 N-CA-C 109.196 -1.561 . . . . 0.0 109.196 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.42 132.2 2.54 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.37 -0.919 . . . . 0.0 111.222 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.535 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 0.4 OUTLIER -69.22 131.0 44.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.073 0.463 . . . . 0.0 110.958 -179.269 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.587 ' H ' ' HE3' ' A' ' 9' ' ' TRP . 4.2 t -85.67 92.55 8.6 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.438 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.711 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 3.0 m120 -71.63 164.42 25.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.5 m -47.94 -43.72 29.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 11.8 mptt -88.09 31.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.662 ' HB3' ' HH2' ' A' ' 11' ' ' TRP . . . 56.54 35.5 26.12 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.206 0.527 . . . . 0.0 111.31 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.711 ' HB ' ' HB2' ' A' ' 31' ' ' ASN . 3.5 t -83.28 60.37 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.775 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 1.2 p -70.83 70.13 0.48 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.863 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.511 HG21 HG12 ' A' ' 35' ' ' VAL . 94.1 t -76.49 128.41 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.348 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 74.5 m -58.46 129.98 44.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.61 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HD2' ' C ' ' A' ' 39' ' ' ARG . 5.9 ppt_? -150.22 145.94 26.53 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.582 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 . . . . . 0 C--N 1.313 -1.01 0 CA-C-O 118.424 -0.798 . . . . 0.0 108.875 179.521 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 121.108 0.48 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.705 ' HB ' ' HA ' ' A' ' 32' ' ' SER . 7.0 m -92.89 -123.52 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 74.1 m 53.97 -117.1 1.13 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 118.801 0.728 . . . . 0.0 109.557 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.479 ' HB2' ' O ' ' A' ' 3' ' ' CYS . 45.3 t0 174.29 73.5 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.092 0.245 . . . . 0.0 111.456 178.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.772 ' HB3' ' HA ' ' A' ' 10' ' ' ASN . 25.1 tp -133.21 -70.88 0.53 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 119.644 -0.822 . . . . 0.0 112.092 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 68.32 -30.55 0.18 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 5' ' ' LEU . 18.2 m -47.24 -71.53 0.07 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 117.916 0.326 . . . . 0.0 111.05 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.09 -44.34 69.26 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 177.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.66 ' HZ2' ' ND1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER 174.2 -38.88 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 113.036 -1.893 . . . . 0.0 107.422 177.31 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.772 ' HA ' ' HB3' ' A' ' 5' ' ' LEU . 5.2 t-20 174.01 -179.82 0.1 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.79 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.755 ' HE3' ' HB2' ' A' ' 30' ' ' CYS . 40.5 t90 -53.47 -24.33 12.63 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.714 0.805 . . . . 0.0 110.845 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.642 ' OD1' ' HB3' ' A' ' 10' ' ' ASN . 2.4 m-20 -25.01 -85.23 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.427 1.491 . . . . 0.0 114.113 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.66 ' ND1' ' HZ2' ' A' ' 9' ' ' TRP . 6.0 m80 -92.64 43.4 1.13 Allowed 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.903 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.604 HG23 ' HG ' ' A' ' 15' ' ' LEU . 2.2 t -86.29 -33.29 20.69 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 119.265 -0.974 . . . . 0.0 110.112 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.604 ' HG ' HG23 ' A' ' 14' ' ' THR . 4.2 pp -175.21 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.251 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 9.6 p -66.82 -41.97 86.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.662 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -61.81 -36.51 81.32 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.428 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.495 ' HA ' HD13 ' A' ' 21' ' ' ILE . . . -53.39 -36.49 61.49 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.599 0.562 . . . . 0.0 109.827 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 16' ' ' CYS . 78.1 t60 -63.2 -44.15 96.17 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.082 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.2 m -64.21 -33.31 75.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.558 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 18' ' ' ALA . 72.3 mt -61.61 -43.28 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.197 0.522 . . . . 0.0 109.874 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.69 -31.77 71.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 109.106 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 11.6 tpp180 -74.82 -1.78 23.71 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.481 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.64 ' HA ' ' HE ' ' A' ' 24' ' ' ARG . 3.5 mmp_? 74.64 51.19 0.09 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.713 0.768 . . . . 0.0 111.76 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.649 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 33.1 m-85 -136.3 157.45 46.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.818 178.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.486 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 10.1 ttm180 -52.15 -43.17 63.92 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 122.085 0.945 . . . . 0.0 109.266 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 159.31 -143.03 8.77 Favored Glycine 0 N--CA 1.431 -1.691 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.237 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.81 141.41 9.43 Favored Glycine 0 N--CA 1.434 -1.483 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.456 ' HA ' ' ND2' ' A' ' 12' ' ' ASN . 34.6 p90 -108.54 140.62 41.63 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.755 ' HB2' ' HE3' ' A' ' 11' ' ' TRP . 2.2 t -66.0 110.21 2.84 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -61.81 -70.66 0.18 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.98 0.419 . . . . 0.0 110.549 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.705 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 23.6 t -176.4 -46.83 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -87.76 31.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.263 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.57 34.71 17.68 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.567 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -97.12 121.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.477 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.624 ' HB2' ' CH2' ' A' ' 11' ' ' TRP . 7.8 t -92.97 82.21 4.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.966 0.412 . . . . 0.0 110.095 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.413 ' HB ' ' CE1' ' A' ' 29' ' ' TYR . 25.2 t -71.35 115.11 10.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.366 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 74.7 m -68.92 131.53 45.24 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.486 ' O ' ' HB3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -130.98 138.93 49.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.617 -179.308 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.649 ' HB2' ' HA ' ' A' ' 25' ' ' TYR . 12.3 t-20 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.029 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.607 ' HB3' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.82 0.343 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 5.3 m -63.46 94.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.982 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.1 p -177.84 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.943 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.947 ' HB3' ' HB3' ' A' ' 10' ' ' ASN . 10.9 t70 -176.79 -45.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.013 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 1' ' ' ALA . 45.0 tp 61.64 45.53 7.97 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.926 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.8 -42.35 58.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.457 0.646 . . . . 0.0 110.129 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 50.1 m -152.51 87.31 1.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.774 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 7' ' ' SER . 2.8 mppt? 74.52 -52.23 0.68 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.802 0.841 . . . . 0.0 109.387 -177.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -171.0 100.49 0.21 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.281 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.947 ' HB3' ' HB3' ' A' ' 4' ' ' ASP . 49.7 t30 -65.39 162.19 18.21 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.515 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 23.0 t90 68.4 -114.54 0.14 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 105.568 -2.012 . . . . 0.0 105.568 -177.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.465 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 19.5 t-20 49.55 -99.79 0.07 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 176.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.742 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 2.8 m-70 -57.28 -22.36 41.03 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 124.18 0.992 . . . . 0.0 111.931 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.551 HG22 HD23 ' A' ' 15' ' ' LEU . 89.5 m -40.43 -48.5 2.76 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -177.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.551 HD23 HG22 ' A' ' 14' ' ' THR . 2.3 pp -166.48 -36.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.864 0.364 . . . . 0.0 110.724 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.0 t -62.07 -50.35 72.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.432 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -69.07 -29.16 67.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.197 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' HA ' HD12 ' A' ' 21' ' ' ILE . . . -52.41 -35.25 51.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.2 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -62.13 -45.81 91.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.217 0.532 . . . . 0.0 110.093 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . 74.9 m -67.87 -34.44 76.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.666 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 17' ' ' ALA . 63.5 mt -62.1 -44.15 98.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.939 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.82 75.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.969 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.518 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 15.4 tpt180 -65.58 -59.94 3.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.868 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.518 ' HB3' ' O ' ' A' ' 23' ' ' ARG . 9.1 ptm180 164.05 -17.47 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.952 0.783 . . . . 0.0 110.85 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 71.4 m-85 -76.8 163.83 26.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.34 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.572 ' CB ' ' HA ' ' A' ' 40' ' ' ASN . 51.2 ttt180 -62.42 -42.73 99.66 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.606 0.717 . . . . 0.0 109.235 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.557 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 168.64 -120.72 0.9 Allowed Glycine 0 N--CA 1.432 -1.581 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -168.58 129.77 1.95 Allowed Glycine 0 N--CA 1.438 -1.233 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -65.93 163.34 17.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.689 0.281 . . . . 0.0 110.813 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 2' ' ' THR . 89.6 m -78.71 102.26 7.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.112 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.612 ' HB3' ' H ' ' A' ' 35' ' ' VAL . 24.0 t-20 -71.36 154.81 41.3 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.448 ' HA ' HG21 ' A' ' 2' ' ' THR . 49.7 m -55.61 -38.5 69.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.351 0.596 . . . . 0.0 110.189 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.487 ' HG3' HG23 ' A' ' 35' ' ' VAL . 17.4 ptpt -86.93 26.74 1.1 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.02 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 54.12 46.83 24.58 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.612 ' H ' ' HB3' ' A' ' 31' ' ' ASN . 91.4 t -116.64 132.84 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.381 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.2 p -90.4 82.65 5.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.06 0.457 . . . . 0.0 110.629 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.43 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 39.7 t -67.23 117.03 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.8 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 86.8 m -50.89 121.57 6.17 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 123.547 0.529 . . . . 0.0 111.323 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.09 150.49 18.6 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.821 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.572 ' HA ' ' CB ' ' A' ' 26' ' ' ARG . 49.6 t30 . . . . . 0 C--N 1.308 -1.21 0 CA-C-O 118.503 -0.761 . . . . 0.0 109.567 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.866 ' HB3' HD23 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.94 0.4 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.48 -166.59 1.26 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.118 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 10' ' ' ASN . 3.2 m 61.28 35.11 18.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.76 177.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 60.66 56.17 3.1 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.866 HD23 ' HB3' ' A' ' 1' ' ' ALA . 0.3 OUTLIER -38.3 79.06 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.685 ' H ' ' HB2' ' A' ' 10' ' ' ASN . . . -64.25 -48.67 74.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.3 p -103.13 -124.95 0.2 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -69.54 -40.15 77.05 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 176.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.602 ' HB3' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -166.26 114.25 0.9 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.358 -1.747 . . . . 0.0 107.789 177.286 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.817 ' H ' ' HA ' ' A' ' 5' ' ' LEU . 34.9 t30 -53.71 145.02 16.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.093 -178.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.456 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 23.5 t90 68.01 -118.18 0.19 Allowed 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.427 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 12.8 t-20 57.5 -116.18 0.92 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 120.958 0.409 . . . . 0.0 111.711 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.828 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 10.2 p-80 -61.83 4.43 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -178.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.431 ' HB ' HD23 ' A' ' 15' ' ' LEU . 37.7 m -61.9 -36.38 81.14 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.318 0.58 . . . . 0.0 109.596 178.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.431 HD23 ' HB ' ' A' ' 14' ' ' THR . 1.4 pt? -165.73 -36.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.286 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 17' ' ' ALA . 8.1 p -67.36 -50.83 58.22 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.086 -0.245 . . . . 0.0 111.598 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.828 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -71.98 -25.53 61.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 0.0 110.651 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.23 -35.16 69.35 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.332 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.34 -43.77 98.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.669 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.6 m -66.83 -43.41 83.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.369 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 76.5 mt -55.86 -41.27 66.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.264 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.21 -37.72 88.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.76 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -81.7 18.03 1.34 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.46 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 69.63 45.43 0.79 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.512 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.591 ' HA ' ' OD1' ' A' ' 40' ' ' ASN . 34.3 m-85 -121.81 155.78 34.62 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.619 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 9.9 ttm-85 -58.04 -40.71 81.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.97 0.89 . . . . 0.0 109.563 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.62 -132.5 2.93 Favored Glycine 0 N--CA 1.434 -1.442 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.82 130.45 2.07 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.585 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -70.88 140.58 51.11 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 p -90.68 130.21 36.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.377 0.608 . . . . 0.0 110.081 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.557 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 4.1 m120 -85.76 149.37 25.32 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.091 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -56.2 -28.57 58.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.977 0.418 . . . . 0.0 110.534 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -85.63 20.16 2.2 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.672 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.53 54.63 1.88 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.213 0.53 . . . . 0.0 111.844 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.557 ' HB ' ' HB2' ' A' ' 31' ' ' ASN . 22.0 t -128.47 144.17 38.77 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.68 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.1 m -126.99 110.95 13.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.202 0.525 . . . . 0.0 111.509 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.8 t -99.42 126.95 52.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.001 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.3 m -58.88 137.34 57.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.283 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.619 ' O ' ' HB3' ' A' ' 26' ' ' ARG . 9.8 ptm180 -146.18 142.49 28.48 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.591 ' OD1' ' HA ' ' A' ' 25' ' ' TYR . 55.2 m-20 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.049 -0.976 . . . . 0.0 110.062 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.585 ' HB1' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.338 0.59 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.446 ' HB ' ' HA ' ' A' ' 32' ' ' SER . 1.7 m -98.96 50.79 0.96 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.462 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.877 ' SG ' ' HA ' ' A' ' 34' ' ' ALA . 65.8 m -140.56 97.09 3.14 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.505 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.54 -42.44 0.44 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.025 0.93 . . . . 0.0 112.987 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 18.5 tp 66.12 25.39 10.78 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.293 0.637 . . . . 0.0 111.113 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.48 77.73 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 p -107.19 -53.41 2.62 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.585 ' O ' ' HB1' ' A' ' 1' ' ' ALA . 43.2 pttt -174.11 -45.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.724 -1.58 . . . . 0.0 108.247 177.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.46 ' HB3' ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -136.99 34.68 2.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.51 0.672 . . . . 0.0 110.119 177.708 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.618 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 26.4 t30 51.12 -125.15 2.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.14 -1.391 . . . . 0.0 112.671 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.618 ' HE3' ' HB3' ' A' ' 10' ' ' ASN . 2.5 p90 -63.91 -61.05 2.53 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -177.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 19.6 t-20 51.65 -94.3 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.925 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 64.5 m80 -67.85 -10.08 49.99 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 123.094 0.558 . . . . 0.0 111.855 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.5 m -53.86 -36.59 62.78 Favored 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 123.434 0.459 . . . . 0.0 111.502 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -165.47 -34.3 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.592 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 t -67.24 -52.58 39.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 111.3 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.925 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -68.87 -23.25 64.19 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.388 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.51 -35.59 70.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.091 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -63.24 -38.95 93.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.141 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . 40.8 m -72.01 -44.27 63.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.568 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.4 mt -65.14 -38.09 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.996 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.28 68.32 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.489 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.12 -86.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.1 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -172.61 36.4 0.01 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.031 0.443 . . . . 0.0 111.189 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' HB2' ' HB3' ' A' ' 20' ' ' CYS . 52.0 m-85 -108.82 172.01 7.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.512 ' H ' ' HA ' ' A' ' 40' ' ' ASN . 25.1 ttm180 -71.6 -44.26 64.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.156 0.979 . . . . 0.0 108.523 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.75 -136.81 4.18 Favored Glycine 0 N--CA 1.432 -1.574 0 CA-C-N 113.806 -1.543 . . . . 0.0 109.547 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.636 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -154.66 95.34 0.15 Allowed Glycine 0 N--CA 1.438 -1.215 0 C-N-CA 120.215 -0.993 . . . . 0.0 111.599 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -60.47 133.3 55.96 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 t -76.53 119.23 20.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.388 -177.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -85.64 -167.31 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.936 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.446 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 32.4 t -70.43 -28.19 64.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.66 0.267 . . . . 0.0 111.654 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -83.78 10.44 9.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.708 -0.223 . . . . 0.0 111.542 -179.52 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.877 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . . . 59.97 42.19 16.43 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.222 0.534 . . . . 0.0 111.478 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.63 139.41 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.978 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.435 ' HB2' ' HA3' ' A' ' 28' ' ' GLY . 25.0 p -83.45 119.99 25.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.006 0.431 . . . . 0.0 110.14 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.636 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 22.9 t -88.41 109.03 19.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.199 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.8 m -64.74 117.95 8.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.629 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -167.08 148.41 5.83 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.94 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.512 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 18.7 p30 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.757 -0.639 . . . . 0.0 109.458 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.408 ' HB1' ' SG ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.898 0.38 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.575 HG21 ' HA ' ' A' ' 32' ' ' SER . 6.1 m -66.52 -23.49 66.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.788 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.47 ' C ' ' H ' ' A' ' 5' ' ' LEU . 1.4 p -71.82 61.94 0.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.3 t70 69.12 -24.56 0.14 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.47 ' H ' ' C ' ' A' ' 3' ' ' CYS . 34.2 tp 69.62 32.73 3.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.531 0.681 . . . . 0.0 109.97 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.723 ' HB3' ' HA ' ' A' ' 10' ' ' ASN . . . -67.41 113.82 5.59 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.5 m 68.31 -66.84 0.21 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 124.0 0.812 . . . . 0.0 110.652 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 7.9 mtpm? -140.83 -55.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.472 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -152.85 46.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.598 178.522 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.723 ' HA ' ' HB3' ' A' ' 6' ' ' ALA . 28.1 t-20 60.57 -136.21 0.66 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.496 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.496 ' HE3' ' H ' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -64.28 -49.1 73.14 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.489 HD21 ' HA ' ' A' ' 29' ' ' TYR . 13.7 t-20 44.05 -103.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.648 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 5.4 p-80 -75.76 21.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -177.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 11' ' ' TRP . 11.2 p -76.85 -34.53 57.83 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.511 0.672 . . . . 0.0 109.22 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp -160.92 -44.15 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.106 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.99 -55.68 17.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.71 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.648 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -77.4 -34.3 54.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.531 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 13' ' ' HIS . . . -52.93 -44.64 67.17 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.731 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -56.99 -42.56 80.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.012 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.7 m -72.39 -35.9 68.55 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.549 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 17' ' ' ALA . 67.2 mt -63.88 -45.96 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.29 0.567 . . . . 0.0 109.536 178.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.87 74.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.637 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.521 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.4 mmp_? -68.59 -81.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.152 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.23 48.91 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.476 0.655 . . . . 0.0 110.782 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 75.1 m-85 -136.27 170.23 16.37 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.696 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -73.51 -27.36 61.33 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 119.186 -1.005 . . . . 0.0 109.536 179.597 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.544 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 155.64 -136.31 5.01 Favored Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.692 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -156.54 72.13 0.25 Allowed Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.793 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.489 ' HA ' HD21 ' A' ' 12' ' ' ASN . 47.2 p90 -62.28 138.47 58.43 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 125.61 28.41 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.568 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -75.75 -165.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.727 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.575 ' HA ' HG21 ' A' ' 2' ' ' THR . 2.8 m -75.23 40.2 0.16 Allowed 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.554 ' HB3' ' NZ ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -175.3 40.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 179.103 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 67.53 -39.33 0.37 Allowed 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -48.21 127.44 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 117.93 19.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.162 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.446 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 61.4 t -93.79 106.48 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.1 0.476 . . . . 0.0 110.294 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 72.5 m -87.45 125.72 34.46 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.374 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.696 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 35.3 ptt180 -172.24 -173.4 1.08 Allowed 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.937 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 . . . . . 0 C--N 1.306 -1.324 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.483 179.719 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 9' ' ' TRP . . . . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.445 0.164 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.483 ' HB ' ' O ' ' A' ' 30' ' ' CYS . 1.2 m 50.63 47.74 23.81 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.751 0.657 . . . . 0.0 111.191 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.612 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -158.32 44.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.255 -178.824 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.2 t70 77.43 -29.56 0.17 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.479 0.712 . . . . 0.0 111.529 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 33.3 tp 71.66 44.71 0.49 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.467 0.707 . . . . 0.0 111.783 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.07 -44.2 76.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.128 0.49 . . . . 0.0 109.957 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.8 m -163.65 103.47 0.92 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt 71.85 -56.58 0.64 Allowed 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.788 0.68 . . . . 0.0 109.667 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.451 ' HA ' ' HB1' ' A' ' 1' ' ' ALA . 6.1 m95 -137.49 -69.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.719 HD22 ' HE3' ' A' ' 11' ' ' TRP . 55.3 t30 -175.76 -55.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.066 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.719 ' HE3' HD22 ' A' ' 10' ' ' ASN . 9.6 p90 -141.05 -49.35 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.513 ' OD1' ' HB2' ' A' ' 17' ' ' ALA . 9.8 t-20 41.43 -90.45 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 176.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.808 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 40.3 m80 -74.97 11.92 0.99 Allowed 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.49 ' HB ' ' HD1' ' A' ' 11' ' ' TRP . 97.9 m -64.26 -34.34 77.88 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.065 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.498 ' HG ' ' N ' ' A' ' 16' ' ' CYS . 1.4 pt? -167.93 -40.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.066 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.498 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 77.0 m -60.82 -57.4 12.83 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.808 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -58.18 -40.48 81.59 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.476 -178.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.2 -41.17 78.87 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.166 0.508 . . . . 0.0 110.393 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -59.86 -41.12 90.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.956 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -70.66 -40.96 72.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.363 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 80.3 mt -56.73 -37.39 52.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 120.951 0.405 . . . . 0.0 110.828 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.56 -33.12 74.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.232 0.539 . . . . 0.0 109.934 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.512 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 75.8 mtp180 -86.03 24.94 1.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.618 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 23' ' ' ARG . 41.5 ttt85 75.75 -21.73 0.3 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.528 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 13.0 m-85 -57.19 150.01 18.53 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 122.062 0.145 . . . . 0.0 110.847 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.506 ' HB3' ' O ' ' A' ' 40' ' ' ASN . 12.8 ptp180 -61.02 -35.12 76.03 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.388 0.613 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 161.01 -132.09 2.78 Favored Glycine 0 N--CA 1.434 -1.44 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.58 154.53 21.51 Favored Glycine 0 N--CA 1.439 -1.166 0 C-N-CA 120.573 -0.823 . . . . 0.0 112.259 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.502 ' CD1' ' HB3' ' A' ' 39' ' ' ARG . 42.4 p90 -131.13 136.15 48.1 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.583 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 14.9 m -82.67 123.01 28.87 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.606 -179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' A' ' 33' ' ' LYS . 31.7 m-20 -79.14 -178.76 6.33 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.4 m -72.29 35.96 0.07 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.083 0.468 . . . . 0.0 111.633 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.446 ' H ' ' C ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -149.98 18.1 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.78 179.286 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 54.49 54.16 9.74 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.139 0.495 . . . . 0.0 111.087 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 58.7 t -119.17 129.91 74.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.818 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 16' ' ' CYS . 5.0 p -80.57 78.43 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.704 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.5 t -87.32 131.73 34.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.718 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 65.7 m -69.2 141.99 54.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.294 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.502 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 12.0 ptm180 -145.89 134.33 21.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.093 0.473 . . . . 0.0 110.371 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.506 ' O ' ' HB3' ' A' ' 26' ' ' ARG . 59.3 m-80 . . . . . 0 C--N 1.316 -0.866 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.204 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.929 0.395 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.3 m -77.24 47.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 110.197 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 1.6 m -92.95 -35.54 13.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.343 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -173.25 -35.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.69 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.2 tp -149.47 -82.59 0.11 Allowed 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.738 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -175.83 -89.54 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 9' ' ' TRP . 13.5 m 53.79 33.96 18.09 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.449 0.468 . . . . 0.0 110.695 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.42 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 33.9 mmtp 74.88 -51.44 0.67 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 -175.401 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.42 ' CD1' ' O ' ' A' ' 8' ' ' LYS . 4.1 m0 -157.54 113.39 2.84 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 126.425 1.89 . . . . 0.0 106.298 176.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -44.88 -54.05 6.88 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.512 -175.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.428 ' CZ3' ' HB3' ' A' ' 3' ' ' CYS . 12.2 p90 -152.11 -54.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 m120 46.32 -93.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.843 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 68.2 m80 -72.42 7.56 1.76 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.602 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.1 m -60.76 -48.12 83.24 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.144 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -152.94 -43.64 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.249 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 t -58.83 -57.79 11.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.356 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.843 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -70.8 -17.86 62.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.67 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.27 92.25 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -61.71 -37.39 84.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.772 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.8 m -64.18 -41.16 97.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.751 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.837 HD11 ' HD2' ' A' ' 13' ' ' HIS . 68.2 mt -63.54 -41.53 92.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.993 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.4 -42.46 82.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.11 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -66.57 -79.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.94 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? 176.27 43.24 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.019 0.438 . . . . 0.0 111.006 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -128.37 165.09 21.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.432 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 5.5 ptp180 -66.53 -32.36 73.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 122.182 0.991 . . . . 0.0 109.73 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.651 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 155.83 -125.99 1.74 Allowed Glycine 0 N--CA 1.428 -1.839 0 N-CA-C 108.52 -1.832 . . . . 0.0 108.52 -178.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -174.87 124.3 1.0 Allowed Glycine 0 N--CA 1.433 -1.535 0 C-N-CA 119.831 -1.176 . . . . 0.0 112.823 178.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -81.28 149.66 28.88 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 34' ' ' ALA . 34.6 m -72.23 129.43 38.41 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.399 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.475 ' OD1' ' HG2' ' A' ' 33' ' ' LYS . 24.0 p30 -86.18 -154.99 0.23 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 m -64.35 -35.42 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -99.3 30.8 3.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.73 0.3 . . . . 0.0 111.612 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . . . 57.2 19.09 4.62 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.442 ' HB ' HD21 ' A' ' 31' ' ' ASN . 47.7 t -90.68 136.87 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.8 p -72.71 127.26 32.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.963 0.411 . . . . 0.0 110.636 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.432 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 48.5 t -95.12 101.59 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.686 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 42.1 m -64.02 117.61 7.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.589 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.584 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 2.2 ptp180 -173.81 148.92 1.5 Allowed 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.994 0.426 . . . . 0.0 110.437 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.15 179.233 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.771 0.319 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.2 m -75.03 -105.54 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.77 ' SG ' ' HB3' ' A' ' 11' ' ' TRP . 4.6 p 35.51 -110.78 0.06 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 177.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 24.7 t70 -55.43 -80.68 0.02 OUTLIER 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.017 0.527 . . . . 0.0 111.307 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 35.1 tp 172.05 -91.49 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -168.93 43.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.409 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 m -64.44 -92.89 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.483 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -73.64 -30.4 62.92 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.883 ' HE1' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -170.32 -31.06 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.632 -1.622 . . . . 0.0 106.795 179.033 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.507 ' HB3' ' O ' ' A' ' 9' ' ' TRP . 8.0 p-10 146.34 -151.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 127.099 2.16 . . . . 0.0 106.483 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.77 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 24.3 t90 -74.95 -117.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.894 ' ND2' ' HA ' ' A' ' 29' ' ' TYR . 25.2 m120 58.05 -100.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.312 0.506 . . . . 0.0 111.582 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.466 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 21.5 m-70 -64.39 -1.53 1.76 Allowed 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.577 ' HB ' ' HD1' ' A' ' 11' ' ' TRP . 59.8 m -53.36 -50.92 64.05 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.966 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 14' ' ' THR . 63.8 mt -161.05 -46.88 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.134 0.492 . . . . 0.0 110.248 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -56.91 -51.53 68.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.01 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.566 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -69.57 -39.11 77.54 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.97 -46.39 61.19 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.522 0.514 . . . . 0.0 111.268 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 64.9 t60 -58.45 -47.93 82.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.731 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 71.9 m -70.7 -32.57 69.83 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.124 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 17' ' ' ALA . 69.4 mt -60.24 -41.24 86.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 121.273 0.559 . . . . 0.0 109.501 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.92 -27.63 68.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.548 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 31.0 mmm180 -80.67 14.46 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.881 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 75.16 25.99 1.27 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.946 0.898 . . . . 0.0 111.986 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.492 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 4.1 m-85 -106.42 164.99 11.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.453 ' H ' ' HA ' ' A' ' 40' ' ' ASN . 38.3 ttm-85 -62.76 -41.9 99.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.713 0.768 . . . . 0.0 108.95 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.63 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 158.04 -122.48 1.16 Allowed Glycine 0 N--CA 1.438 -1.213 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.789 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -173.15 96.81 0.11 Allowed Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.894 ' HA ' ' ND2' ' A' ' 12' ' ' ASN . 21.9 p90 -73.93 145.9 44.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.894 0.378 . . . . 0.0 111.917 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.612 ' SG ' ' HE3' ' A' ' 11' ' ' TRP . 18.9 m -68.24 117.34 9.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.419 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.429 HD21 ' HB ' ' A' ' 35' ' ' VAL . 34.3 p30 -92.37 -164.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.916 -0.714 . . . . 0.0 109.589 177.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -69.82 -36.22 75.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.912 0.387 . . . . 0.0 111.332 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -81.61 15.13 2.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.78 -179.515 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 57.91 38.2 26.96 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.158 0.504 . . . . 0.0 111.179 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.429 ' HB ' HD21 ' A' ' 31' ' ' ASN . 83.7 t -116.53 138.29 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.354 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.2 p -79.94 114.21 18.68 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.478 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 47.3 t -81.07 94.27 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.037 0.446 . . . . 0.0 110.013 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 71.5 m -74.14 123.57 24.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.276 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 -160.88 144.19 13.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.227 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.453 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 58.8 t-20 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.344 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.406 ' HB3' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.891 0.377 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.1 m -54.97 -21.66 12.56 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.006 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' A' ' 34' ' ' ALA . 54.5 m -48.52 -47.82 38.72 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.741 0.416 . . . . 0.0 111.181 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.512 ' HB3' ' OD1' ' A' ' 10' ' ' ASN . 31.7 t70 171.4 -32.2 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.675 0.609 . . . . 0.0 110.063 178.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 9' ' ' TRP . 35.8 tp 72.94 43.06 0.43 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.001 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 7' ' ' SER . . . -87.3 28.38 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.361 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 13.8 t 174.72 -140.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.512 ' HB3' ' CD1' ' A' ' 9' ' ' TRP . 18.0 tptt -62.83 -42.8 99.88 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.699 ' HB2' ' OD1' ' A' ' 12' ' ' ASN . 3.3 m95 -136.97 -49.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 177.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.59 HD22 ' HE3' ' A' ' 11' ' ' TRP . 3.6 t30 173.28 -60.1 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.54 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.687 ' HE1' ' HB2' ' A' ' 16' ' ' CYS . 16.9 p90 -149.55 -53.73 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.699 ' OD1' ' HB2' ' A' ' 9' ' ' TRP . 4.9 m120 42.57 -96.49 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 176.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.81 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 48.2 m80 -57.04 -13.21 2.6 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.861 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 97.3 m -53.82 -39.68 65.76 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 123.35 0.406 . . . . 0.0 111.016 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 pp -168.09 -37.79 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.836 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.687 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 5.2 t -62.28 -49.99 73.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.15 0.5 . . . . 0.0 110.878 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.81 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -74.31 -18.53 60.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.816 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.29 -41.96 76.75 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.07 0.462 . . . . 0.0 110.048 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -60.72 -40.72 93.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.147 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.4 m -66.43 -45.48 79.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.778 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.502 HD11 ' HD2' ' A' ' 13' ' ' HIS . 52.8 mt -59.09 -43.66 89.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 110.49 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.94 76.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.345 0.593 . . . . 0.0 110.212 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -85.02 18.15 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.722 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 67.84 62.38 0.41 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 122.953 0.501 . . . . 0.0 111.678 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 83.1 m-85 -145.5 166.44 25.67 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -73.5 -34.87 65.49 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.996 0.903 . . . . 0.0 108.862 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.59 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 160.14 -137.34 4.99 Favored Glycine 0 N--CA 1.433 -1.55 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -152.19 124.09 1.58 Allowed Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.233 -0.984 . . . . 0.0 111.738 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -78.33 147.6 34.14 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.608 ' SG ' ' HA ' ' A' ' 34' ' ' ALA . 36.0 t -79.2 136.03 36.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.573 0.225 . . . . 0.0 110.397 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.435 ' ND2' ' HB ' ' A' ' 35' ' ' VAL . 52.9 p30 -104.09 -159.28 0.71 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.3 m -68.21 -25.64 65.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.616 ' HG3' HG23 ' A' ' 35' ' ' VAL . 3.1 ptpp? -109.73 27.87 9.14 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.685 ' HB1' ' HH2' ' A' ' 11' ' ' TRP . . . 57.95 25.85 12.7 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 178.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.616 HG23 ' HG3' ' A' ' 33' ' ' LYS . 74.3 t -91.76 125.26 44.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.5 p -81.31 98.73 8.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.146 0.498 . . . . 0.0 110.318 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.525 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 38.5 t -76.44 113.75 15.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.108 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 67.9 m -60.27 128.89 38.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.056 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -155.21 149.24 25.72 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.711 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 p30 . . . . . 0 C--O 1.255 1.343 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.759 179.439 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.766 ' HB3' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 121.154 0.502 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.577 ' HB ' ' O ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -85.01 -144.59 0.09 Allowed 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.158 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.413 ' H ' HG22 ' A' ' 2' ' ' THR . 97.5 m 54.17 45.53 27.21 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.946 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.8 t70 73.27 -15.69 0.53 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.658 0.783 . . . . 0.0 112.635 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.766 HD13 ' HB3' ' A' ' 1' ' ' ALA . 16.7 tp 56.42 36.62 27.83 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.301 0.572 . . . . 0.0 110.732 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.33 -33.16 74.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.655 0.741 . . . . 0.0 109.515 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.9 m -152.93 -157.19 0.77 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.433 ' C ' ' CD1' ' A' ' 9' ' ' TRP . 54.9 mtmt -65.95 94.74 0.24 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.969 ' HB2' ' HB2' ' A' ' 12' ' ' ASN . 0.6 OUTLIER 55.13 32.81 19.11 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.691 HD22 ' HE3' ' A' ' 11' ' ' TRP . 57.5 t30 62.95 -109.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 113.428 -1.715 . . . . 0.0 110.123 -177.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.691 ' HE3' HD22 ' A' ' 10' ' ' ASN . 6.5 p90 -77.7 -52.85 8.29 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.197 -0.601 . . . . 0.0 109.412 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.969 ' HB2' ' HB2' ' A' ' 9' ' ' TRP . 63.3 t30 44.97 -104.14 0.08 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 177.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.814 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 15.1 p-80 -54.57 -18.06 3.98 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 124.585 1.154 . . . . 0.0 111.921 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.57 HG22 ' HG ' ' A' ' 15' ' ' LEU . 90.6 m -53.93 -43.52 69.84 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.556 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.57 ' HG ' HG22 ' A' ' 14' ' ' THR . 90.9 mt -147.97 -59.15 0.25 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.71 -48.8 80.16 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.814 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -70.24 -32.3 70.1 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.432 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.43 -38.66 77.92 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.891 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -59.28 -40.49 86.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.56 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.7 m -69.64 -41.54 75.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.449 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 17' ' ' ALA . 82.9 mt -57.09 -41.25 77.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.081 0.467 . . . . 0.0 110.049 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.91 82.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.397 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -81.01 18.47 1.02 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.633 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 65.45 30.57 10.77 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 122.961 0.505 . . . . 0.0 111.918 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -105.94 158.42 16.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -62.01 -43.15 99.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.866 0.841 . . . . 0.0 108.859 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 162.0 -132.88 2.94 Favored Glycine 0 N--CA 1.436 -1.36 0 N-CA-C 109.196 -1.561 . . . . 0.0 109.196 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.42 132.2 2.54 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.37 -0.919 . . . . 0.0 111.222 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.546 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 0.4 OUTLIER -69.22 131.0 44.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.073 0.463 . . . . 0.0 110.958 -179.269 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.643 ' H ' ' HE3' ' A' ' 9' ' ' TRP . 4.2 t -85.67 92.55 8.6 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.438 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.716 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 3.0 m120 -71.63 164.42 25.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.5 m -47.94 -43.72 29.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 11.8 mptt -88.09 31.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 56.54 35.5 26.12 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.206 0.527 . . . . 0.0 111.31 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.736 HG12 HG23 ' A' ' 37' ' ' VAL . 3.5 t -83.28 60.37 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.775 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 1.2 p -70.83 70.13 0.48 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.863 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.736 HG23 HG12 ' A' ' 35' ' ' VAL . 94.1 t -76.49 128.41 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.348 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 74.5 m -58.46 129.98 44.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.61 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.424 ' C ' ' HD2' ' A' ' 39' ' ' ARG . 5.9 ppt_? -150.22 145.94 26.53 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.582 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 . . . . . 0 C--N 1.313 -1.01 0 CA-C-O 118.424 -0.798 . . . . 0.0 108.875 179.521 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 121.108 0.48 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.681 ' HB ' ' HA ' ' A' ' 32' ' ' SER . 7.0 m -92.89 -123.52 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 74.1 m 53.97 -117.1 1.13 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 118.801 0.728 . . . . 0.0 109.557 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' A' ' 3' ' ' CYS . 45.3 t0 174.29 73.5 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.092 0.245 . . . . 0.0 111.456 178.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.77 ' HB3' ' HA ' ' A' ' 10' ' ' ASN . 25.1 tp -133.21 -70.88 0.53 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 119.644 -0.822 . . . . 0.0 112.092 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' H ' ' HA ' ' A' ' 10' ' ' ASN . . . 68.32 -30.55 0.18 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.2 m -47.24 -71.53 0.07 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 117.916 0.326 . . . . 0.0 111.05 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.09 -44.34 69.26 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 177.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.66 ' HZ2' ' ND1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER 174.2 -38.88 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 113.036 -1.893 . . . . 0.0 107.422 177.31 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.77 ' HA ' ' HB3' ' A' ' 5' ' ' LEU . 5.2 t-20 174.01 -179.82 0.1 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.79 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.746 ' HE3' ' HB2' ' A' ' 30' ' ' CYS . 40.5 t90 -53.47 -24.33 12.63 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.714 0.805 . . . . 0.0 110.845 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.648 ' OD1' ' HB3' ' A' ' 10' ' ' ASN . 2.4 m-20 -25.01 -85.23 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.427 1.491 . . . . 0.0 114.113 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.66 ' ND1' ' HZ2' ' A' ' 9' ' ' TRP . 6.0 m80 -92.64 43.4 1.13 Allowed 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.903 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.505 HG23 ' HG ' ' A' ' 15' ' ' LEU . 2.2 t -86.29 -33.29 20.69 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 119.265 -0.974 . . . . 0.0 110.112 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.505 ' HG ' HG23 ' A' ' 14' ' ' THR . 4.2 pp -175.21 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.251 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 9.6 p -66.82 -41.97 86.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.662 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.639 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -61.81 -36.51 81.32 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.428 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 21' ' ' ILE . . . -53.39 -36.49 61.49 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.599 0.562 . . . . 0.0 109.827 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.422 ' HB3' ' O ' ' A' ' 16' ' ' CYS . 78.1 t60 -63.2 -44.15 96.17 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.082 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.2 m -64.21 -33.31 75.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.558 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 18' ' ' ALA . 72.3 mt -61.61 -43.28 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.197 0.522 . . . . 0.0 109.874 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.69 -31.77 71.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 109.106 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 11.6 tpp180 -74.82 -1.78 23.71 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.481 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.645 ' HE ' ' HA ' ' A' ' 24' ' ' ARG . 3.5 mmp_? 74.64 51.19 0.09 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.713 0.768 . . . . 0.0 111.76 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.666 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 33.1 m-85 -136.3 157.45 46.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.818 178.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 10.1 ttm180 -52.15 -43.17 63.92 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 122.085 0.945 . . . . 0.0 109.266 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 159.31 -143.03 8.77 Favored Glycine 0 N--CA 1.431 -1.691 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.237 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.81 141.41 9.43 Favored Glycine 0 N--CA 1.434 -1.483 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.479 ' HA ' ' ND2' ' A' ' 12' ' ' ASN . 34.6 p90 -108.54 140.62 41.63 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.746 ' HB2' ' HE3' ' A' ' 11' ' ' TRP . 2.2 t -66.0 110.21 2.84 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -61.81 -70.66 0.18 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.98 0.419 . . . . 0.0 110.549 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.681 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 23.6 t -176.4 -46.83 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -87.76 31.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.263 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.57 34.71 17.68 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.567 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -97.12 121.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.477 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.628 ' HB2' ' CH2' ' A' ' 11' ' ' TRP . 7.8 t -92.97 82.21 4.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.966 0.412 . . . . 0.0 110.095 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.421 ' HB ' ' CE1' ' A' ' 29' ' ' TYR . 25.2 t -71.35 115.11 10.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.366 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 74.7 m -68.92 131.53 45.24 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.496 ' O ' ' HB3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -130.98 138.93 49.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.617 -179.308 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.666 ' HB2' ' HA ' ' A' ' 25' ' ' TYR . 12.3 t-20 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.029 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.607 ' HB3' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.82 0.343 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 5.3 m -63.46 94.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.982 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.1 p -177.84 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.943 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.947 ' HB3' ' HB3' ' A' ' 10' ' ' ASN . 10.9 t70 -176.79 -45.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.013 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 1' ' ' ALA . 45.0 tp 61.64 45.53 7.97 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.926 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.8 -42.35 58.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.457 0.646 . . . . 0.0 110.129 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 50.1 m -152.51 87.31 1.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.774 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 7' ' ' SER . 2.8 mppt? 74.52 -52.23 0.68 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.802 0.841 . . . . 0.0 109.387 -177.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -171.0 100.49 0.21 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.281 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.947 ' HB3' ' HB3' ' A' ' 4' ' ' ASP . 49.7 t30 -65.39 162.19 18.21 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.515 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 23.0 t90 68.4 -114.54 0.14 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 105.568 -2.012 . . . . 0.0 105.568 -177.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.465 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 19.5 t-20 49.55 -99.79 0.07 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 176.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.742 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 2.8 m-70 -57.28 -22.36 41.03 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 124.18 0.992 . . . . 0.0 111.931 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.551 HG22 HD23 ' A' ' 15' ' ' LEU . 89.5 m -40.43 -48.5 2.76 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -177.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.551 HD23 HG22 ' A' ' 14' ' ' THR . 2.3 pp -166.48 -36.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.864 0.364 . . . . 0.0 110.724 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.0 t -62.07 -50.35 72.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.432 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -69.07 -29.16 67.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.197 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' HA ' HD12 ' A' ' 21' ' ' ILE . . . -52.41 -35.25 51.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.2 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -62.13 -45.81 91.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.217 0.532 . . . . 0.0 110.093 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . 74.9 m -67.87 -34.44 76.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.666 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 17' ' ' ALA . 63.5 mt -62.1 -44.15 98.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.939 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.82 75.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.969 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.518 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 15.4 tpt180 -65.58 -59.94 3.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.868 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.518 ' HB3' ' O ' ' A' ' 23' ' ' ARG . 9.1 ptm180 164.05 -17.47 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.952 0.783 . . . . 0.0 110.85 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 71.4 m-85 -76.8 163.83 26.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.34 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.572 ' CB ' ' HA ' ' A' ' 40' ' ' ASN . 51.2 ttt180 -62.42 -42.73 99.66 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.606 0.717 . . . . 0.0 109.235 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.557 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 168.64 -120.72 0.9 Allowed Glycine 0 N--CA 1.432 -1.581 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -168.58 129.77 1.95 Allowed Glycine 0 N--CA 1.438 -1.233 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -65.93 163.34 17.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.689 0.281 . . . . 0.0 110.813 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 2' ' ' THR . 89.6 m -78.71 102.26 7.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.112 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.612 ' HB3' ' H ' ' A' ' 35' ' ' VAL . 24.0 t-20 -71.36 154.81 41.3 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.448 ' HA ' HG21 ' A' ' 2' ' ' THR . 49.7 m -55.61 -38.5 69.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.351 0.596 . . . . 0.0 110.189 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.487 ' HG3' HG23 ' A' ' 35' ' ' VAL . 17.4 ptpt -86.93 26.74 1.1 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.02 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 54.12 46.83 24.58 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.612 ' H ' ' HB3' ' A' ' 31' ' ' ASN . 91.4 t -116.64 132.84 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.381 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.2 p -90.4 82.65 5.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.06 0.457 . . . . 0.0 110.629 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.43 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 39.7 t -67.23 117.03 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.8 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 86.8 m -50.89 121.57 6.17 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 123.547 0.529 . . . . 0.0 111.323 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.09 150.49 18.6 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.821 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.572 ' HA ' ' CB ' ' A' ' 26' ' ' ARG . 49.6 t30 . . . . . 0 C--N 1.308 -1.21 0 CA-C-O 118.503 -0.761 . . . . 0.0 109.567 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.866 ' HB3' HD23 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.94 0.4 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.48 -166.59 1.26 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.118 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 10' ' ' ASN . 3.2 m 61.28 35.11 18.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.76 177.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 60.66 56.17 3.1 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.866 HD23 ' HB3' ' A' ' 1' ' ' ALA . 0.3 OUTLIER -38.3 79.06 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.685 ' H ' ' HB2' ' A' ' 10' ' ' ASN . . . -64.25 -48.67 74.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.3 p -103.13 -124.95 0.2 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -69.54 -40.15 77.05 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 176.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.602 ' HB3' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -166.26 114.25 0.9 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.358 -1.747 . . . . 0.0 107.789 177.286 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.817 ' H ' ' HA ' ' A' ' 5' ' ' LEU . 34.9 t30 -53.71 145.02 16.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.093 -178.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.456 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 23.5 t90 68.01 -118.18 0.19 Allowed 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.427 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 12.8 t-20 57.5 -116.18 0.92 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 120.958 0.409 . . . . 0.0 111.711 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.828 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 10.2 p-80 -61.83 4.43 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -178.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.431 ' HB ' HD23 ' A' ' 15' ' ' LEU . 37.7 m -61.9 -36.38 81.14 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.318 0.58 . . . . 0.0 109.596 178.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.431 HD23 ' HB ' ' A' ' 14' ' ' THR . 1.4 pt? -165.73 -36.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.286 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 17' ' ' ALA . 8.1 p -67.36 -50.83 58.22 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.086 -0.245 . . . . 0.0 111.598 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.828 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -71.98 -25.53 61.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 0.0 110.651 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.23 -35.16 69.35 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.332 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.34 -43.77 98.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.669 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.6 m -66.83 -43.41 83.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.369 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 76.5 mt -55.86 -41.27 66.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.264 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.21 -37.72 88.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.76 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -81.7 18.03 1.34 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.46 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 69.63 45.43 0.79 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.512 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.591 ' HA ' ' OD1' ' A' ' 40' ' ' ASN . 34.3 m-85 -121.81 155.78 34.62 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.619 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 9.9 ttm-85 -58.04 -40.71 81.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.97 0.89 . . . . 0.0 109.563 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.62 -132.5 2.93 Favored Glycine 0 N--CA 1.434 -1.442 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.82 130.45 2.07 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.585 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -70.88 140.58 51.11 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 p -90.68 130.21 36.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.377 0.608 . . . . 0.0 110.081 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.557 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 4.1 m120 -85.76 149.37 25.32 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.091 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -56.2 -28.57 58.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.977 0.418 . . . . 0.0 110.534 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -85.63 20.16 2.2 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.672 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.53 54.63 1.88 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.213 0.53 . . . . 0.0 111.844 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.557 ' HB ' ' HB2' ' A' ' 31' ' ' ASN . 22.0 t -128.47 144.17 38.77 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.68 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.1 m -126.99 110.95 13.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.202 0.525 . . . . 0.0 111.509 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.8 t -99.42 126.95 52.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.001 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.3 m -58.88 137.34 57.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.283 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.619 ' O ' ' HB3' ' A' ' 26' ' ' ARG . 9.8 ptm180 -146.18 142.49 28.48 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.591 ' OD1' ' HA ' ' A' ' 25' ' ' TYR . 55.2 m-20 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.049 -0.976 . . . . 0.0 110.062 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.585 ' HB1' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.338 0.59 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.446 ' HB ' ' HA ' ' A' ' 32' ' ' SER . 1.7 m -98.96 50.79 0.96 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.462 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.877 ' SG ' ' HA ' ' A' ' 34' ' ' ALA . 65.8 m -140.56 97.09 3.14 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.505 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.54 -42.44 0.44 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.025 0.93 . . . . 0.0 112.987 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 18.5 tp 66.12 25.39 10.78 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.293 0.637 . . . . 0.0 111.113 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.48 77.73 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 p -107.19 -53.41 2.62 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.585 ' O ' ' HB1' ' A' ' 1' ' ' ALA . 43.2 pttt -174.11 -45.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.724 -1.58 . . . . 0.0 108.247 177.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.46 ' HB3' ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -136.99 34.68 2.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.51 0.672 . . . . 0.0 110.119 177.708 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.618 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 26.4 t30 51.12 -125.15 2.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.14 -1.391 . . . . 0.0 112.671 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.618 ' HE3' ' HB3' ' A' ' 10' ' ' ASN . 2.5 p90 -63.91 -61.05 2.53 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -177.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 19.6 t-20 51.65 -94.3 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.925 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 64.5 m80 -67.85 -10.08 49.99 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 123.094 0.558 . . . . 0.0 111.855 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.5 m -53.86 -36.59 62.78 Favored 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 123.434 0.459 . . . . 0.0 111.502 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -165.47 -34.3 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.592 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 t -67.24 -52.58 39.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 111.3 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.925 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -68.87 -23.25 64.19 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.388 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.51 -35.59 70.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.091 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -63.24 -38.95 93.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.141 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . 40.8 m -72.01 -44.27 63.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.568 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.4 mt -65.14 -38.09 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.996 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.28 68.32 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.489 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.12 -86.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.1 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -172.61 36.4 0.01 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.031 0.443 . . . . 0.0 111.189 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' HB2' ' HB3' ' A' ' 20' ' ' CYS . 52.0 m-85 -108.82 172.01 7.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.512 ' H ' ' HA ' ' A' ' 40' ' ' ASN . 25.1 ttm180 -71.6 -44.26 64.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.156 0.979 . . . . 0.0 108.523 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.75 -136.81 4.18 Favored Glycine 0 N--CA 1.432 -1.574 0 CA-C-N 113.806 -1.543 . . . . 0.0 109.547 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.636 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -154.66 95.34 0.15 Allowed Glycine 0 N--CA 1.438 -1.215 0 C-N-CA 120.215 -0.993 . . . . 0.0 111.599 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -60.47 133.3 55.96 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 t -76.53 119.23 20.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.388 -177.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -85.64 -167.31 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.936 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.446 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 32.4 t -70.43 -28.19 64.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.66 0.267 . . . . 0.0 111.654 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -83.78 10.44 9.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.708 -0.223 . . . . 0.0 111.542 -179.52 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.877 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . . . 59.97 42.19 16.43 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.222 0.534 . . . . 0.0 111.478 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.63 139.41 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.978 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.435 ' HB2' ' HA3' ' A' ' 28' ' ' GLY . 25.0 p -83.45 119.99 25.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.006 0.431 . . . . 0.0 110.14 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.636 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 22.9 t -88.41 109.03 19.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.199 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.8 m -64.74 117.95 8.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.629 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -167.08 148.41 5.83 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.94 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.512 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 18.7 p30 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.757 -0.639 . . . . 0.0 109.458 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' HB1' ' SG ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.898 0.38 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.575 HG21 ' HA ' ' A' ' 32' ' ' SER . 6.1 m -66.52 -23.49 66.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.788 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.47 ' C ' ' H ' ' A' ' 5' ' ' LEU . 1.4 p -71.82 61.94 0.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.3 t70 69.12 -24.56 0.14 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.47 ' H ' ' C ' ' A' ' 3' ' ' CYS . 34.2 tp 69.62 32.73 3.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.531 0.681 . . . . 0.0 109.97 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.723 ' HB3' ' HA ' ' A' ' 10' ' ' ASN . . . -67.41 113.82 5.59 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.5 m 68.31 -66.84 0.21 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 124.0 0.812 . . . . 0.0 110.652 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 7.9 mtpm? -140.83 -55.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.472 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -152.85 46.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.598 178.522 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.723 ' HA ' ' HB3' ' A' ' 6' ' ' ALA . 28.1 t-20 60.57 -136.21 0.66 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.496 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.496 ' HE3' ' H ' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -64.28 -49.1 73.14 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.489 HD21 ' HA ' ' A' ' 29' ' ' TYR . 13.7 t-20 44.05 -103.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.648 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 5.4 p-80 -75.76 21.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -177.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 11' ' ' TRP . 11.2 p -76.85 -34.53 57.83 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.511 0.672 . . . . 0.0 109.22 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp -160.92 -44.15 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.106 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.99 -55.68 17.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.71 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.648 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -77.4 -34.3 54.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.531 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 13' ' ' HIS . . . -52.93 -44.64 67.17 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.731 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -56.99 -42.56 80.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.012 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.7 m -72.39 -35.9 68.55 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.549 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 17' ' ' ALA . 67.2 mt -63.88 -45.96 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.29 0.567 . . . . 0.0 109.536 178.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.87 74.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.637 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.521 ' NE ' ' HA ' ' A' ' 23' ' ' ARG . 4.4 mmp_? -68.59 -81.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.152 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.23 48.91 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.476 0.655 . . . . 0.0 110.782 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 75.1 m-85 -136.27 170.23 16.37 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.696 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -73.51 -27.36 61.33 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 119.186 -1.005 . . . . 0.0 109.536 179.597 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.544 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 155.64 -136.31 5.01 Favored Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.692 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -156.54 72.13 0.25 Allowed Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.793 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.489 ' HA ' HD21 ' A' ' 12' ' ' ASN . 47.2 p90 -62.28 138.47 58.43 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 125.61 28.41 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.568 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -75.75 -165.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.727 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.575 ' HA ' HG21 ' A' ' 2' ' ' THR . 2.8 m -75.23 40.2 0.16 Allowed 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.554 ' HB3' ' NZ ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -175.3 40.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 179.103 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 67.53 -39.33 0.37 Allowed 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -48.21 127.44 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 117.93 19.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.162 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.446 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 61.4 t -93.79 106.48 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.1 0.476 . . . . 0.0 110.294 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 72.5 m -87.45 125.72 34.46 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.374 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.696 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 35.3 ptt180 -172.24 -173.4 1.08 Allowed 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.937 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 . . . . . 0 C--N 1.306 -1.324 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.483 179.719 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 9' ' ' TRP . . . . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.445 0.164 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.483 ' HB ' ' O ' ' A' ' 30' ' ' CYS . 1.2 m 50.63 47.74 23.81 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.751 0.657 . . . . 0.0 111.191 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.612 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -158.32 44.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.255 -178.824 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.2 t70 77.43 -29.56 0.17 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.479 0.712 . . . . 0.0 111.529 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 33.3 tp 71.66 44.71 0.49 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.467 0.707 . . . . 0.0 111.783 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.07 -44.2 76.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.128 0.49 . . . . 0.0 109.957 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.8 m -163.65 103.47 0.92 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt 71.85 -56.58 0.64 Allowed 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.788 0.68 . . . . 0.0 109.667 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.451 ' HA ' ' HB1' ' A' ' 1' ' ' ALA . 6.1 m95 -137.49 -69.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.719 HD22 ' HE3' ' A' ' 11' ' ' TRP . 55.3 t30 -175.76 -55.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.066 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.719 ' HE3' HD22 ' A' ' 10' ' ' ASN . 9.6 p90 -141.05 -49.35 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.513 ' OD1' ' HB2' ' A' ' 17' ' ' ALA . 9.8 t-20 41.43 -90.45 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 176.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.808 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 40.3 m80 -74.97 11.92 0.99 Allowed 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.49 ' HB ' ' HD1' ' A' ' 11' ' ' TRP . 97.9 m -64.26 -34.34 77.88 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.065 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.498 ' HG ' ' N ' ' A' ' 16' ' ' CYS . 1.4 pt? -167.93 -40.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.066 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.498 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 77.0 m -60.82 -57.4 12.83 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.808 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -58.18 -40.48 81.59 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.476 -178.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.2 -41.17 78.87 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.166 0.508 . . . . 0.0 110.393 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -59.86 -41.12 90.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.956 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -70.66 -40.96 72.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.363 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 80.3 mt -56.73 -37.39 52.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 120.951 0.405 . . . . 0.0 110.828 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.56 -33.12 74.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.232 0.539 . . . . 0.0 109.934 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.512 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 75.8 mtp180 -86.03 24.94 1.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.618 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 23' ' ' ARG . 41.5 ttt85 75.75 -21.73 0.3 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.528 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 13.0 m-85 -57.19 150.01 18.53 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 122.062 0.145 . . . . 0.0 110.847 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.506 ' HB3' ' O ' ' A' ' 40' ' ' ASN . 12.8 ptp180 -61.02 -35.12 76.03 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.388 0.613 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 161.01 -132.09 2.78 Favored Glycine 0 N--CA 1.434 -1.44 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.58 154.53 21.51 Favored Glycine 0 N--CA 1.439 -1.166 0 C-N-CA 120.573 -0.823 . . . . 0.0 112.259 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.502 ' CD1' ' HB3' ' A' ' 39' ' ' ARG . 42.4 p90 -131.13 136.15 48.1 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.583 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 14.9 m -82.67 123.01 28.87 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.606 -179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' A' ' 33' ' ' LYS . 31.7 m-20 -79.14 -178.76 6.33 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.4 m -72.29 35.96 0.07 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.083 0.468 . . . . 0.0 111.633 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' H ' ' C ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -149.98 18.1 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.78 179.286 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 54.49 54.16 9.74 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.139 0.495 . . . . 0.0 111.087 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 58.7 t -119.17 129.91 74.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.818 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 16' ' ' CYS . 5.0 p -80.57 78.43 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.704 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.5 t -87.32 131.73 34.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.718 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 65.7 m -69.2 141.99 54.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.294 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.502 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 12.0 ptm180 -145.89 134.33 21.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.093 0.473 . . . . 0.0 110.371 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.506 ' O ' ' HB3' ' A' ' 26' ' ' ARG . 59.3 m-80 . . . . . 0 C--N 1.316 -0.866 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.204 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.929 0.395 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.3 m -77.24 47.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 110.197 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 1.6 m -92.95 -35.54 13.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.343 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -173.25 -35.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.69 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.2 tp -149.47 -82.59 0.11 Allowed 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.738 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -175.83 -89.54 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 9' ' ' TRP . 13.5 m 53.79 33.96 18.09 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.449 0.468 . . . . 0.0 110.695 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 33.9 mmtp 74.88 -51.44 0.67 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 -175.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.42 ' CD1' ' O ' ' A' ' 8' ' ' LYS . 4.1 m0 -157.54 113.39 2.84 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 126.425 1.89 . . . . 0.0 106.298 176.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -44.88 -54.05 6.88 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.512 -175.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.428 ' CZ3' ' HB3' ' A' ' 3' ' ' CYS . 12.2 p90 -152.11 -54.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 m120 46.32 -93.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.843 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 68.2 m80 -72.42 7.56 1.76 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.602 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.1 m -60.76 -48.12 83.24 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.144 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -152.94 -43.64 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.249 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 t -58.83 -57.79 11.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.356 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.843 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -70.8 -17.86 62.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.67 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.27 92.25 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -61.71 -37.39 84.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.772 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.8 m -64.18 -41.16 97.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.751 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.837 HD11 ' HD2' ' A' ' 13' ' ' HIS . 68.2 mt -63.54 -41.53 92.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.993 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.4 -42.46 82.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.11 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -66.57 -79.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.94 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? 176.27 43.24 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.019 0.438 . . . . 0.0 111.006 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -128.37 165.09 21.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.432 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 5.5 ptp180 -66.53 -32.36 73.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 122.182 0.991 . . . . 0.0 109.73 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.651 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 155.83 -125.99 1.74 Allowed Glycine 0 N--CA 1.428 -1.839 0 N-CA-C 108.52 -1.832 . . . . 0.0 108.52 -178.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -174.87 124.3 1.0 Allowed Glycine 0 N--CA 1.433 -1.535 0 C-N-CA 119.831 -1.176 . . . . 0.0 112.823 178.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -81.28 149.66 28.88 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 34' ' ' ALA . 34.6 m -72.23 129.43 38.41 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.399 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.475 ' OD1' ' HG2' ' A' ' 33' ' ' LYS . 24.0 p30 -86.18 -154.99 0.23 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 m -64.35 -35.42 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -99.3 30.8 3.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.73 0.3 . . . . 0.0 111.612 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . . . 57.2 19.09 4.62 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.442 ' HB ' HD21 ' A' ' 31' ' ' ASN . 47.7 t -90.68 136.87 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.8 p -72.71 127.26 32.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.963 0.411 . . . . 0.0 110.636 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.432 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 48.5 t -95.12 101.59 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.686 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 42.1 m -64.02 117.61 7.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.589 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.584 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 2.2 ptp180 -173.81 148.92 1.5 Allowed 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.994 0.426 . . . . 0.0 110.437 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.15 179.233 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.771 0.319 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.2 m -75.03 -105.54 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.77 ' SG ' ' HB3' ' A' ' 11' ' ' TRP . 4.6 p 35.51 -110.78 0.06 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 177.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 24.7 t70 -55.43 -80.68 0.02 OUTLIER 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.017 0.527 . . . . 0.0 111.307 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 35.1 tp 172.05 -91.49 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -168.93 43.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.409 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 m -64.44 -92.89 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.483 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -73.64 -30.4 62.92 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.883 ' HE1' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -170.32 -31.06 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.632 -1.622 . . . . 0.0 106.795 179.033 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.507 ' HB3' ' O ' ' A' ' 9' ' ' TRP . 8.0 p-10 146.34 -151.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 127.099 2.16 . . . . 0.0 106.483 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.77 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 24.3 t90 -74.95 -117.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.894 ' ND2' ' HA ' ' A' ' 29' ' ' TYR . 25.2 m120 58.05 -100.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.312 0.506 . . . . 0.0 111.582 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.466 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 21.5 m-70 -64.39 -1.53 1.76 Allowed 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.577 ' HB ' ' HD1' ' A' ' 11' ' ' TRP . 59.8 m -53.36 -50.92 64.05 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.966 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 14' ' ' THR . 63.8 mt -161.05 -46.88 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.134 0.492 . . . . 0.0 110.248 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -56.91 -51.53 68.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.01 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.566 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -69.57 -39.11 77.54 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.97 -46.39 61.19 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.522 0.514 . . . . 0.0 111.268 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 64.9 t60 -58.45 -47.93 82.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.731 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 71.9 m -70.7 -32.57 69.83 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.124 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 17' ' ' ALA . 69.4 mt -60.24 -41.24 86.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 121.273 0.559 . . . . 0.0 109.501 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.92 -27.63 68.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.548 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 31.0 mmm180 -80.67 14.46 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.881 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 75.16 25.99 1.27 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.946 0.898 . . . . 0.0 111.986 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.492 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 4.1 m-85 -106.42 164.99 11.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.453 ' H ' ' HA ' ' A' ' 40' ' ' ASN . 38.3 ttm-85 -62.76 -41.9 99.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.713 0.768 . . . . 0.0 108.95 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.63 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 158.04 -122.48 1.16 Allowed Glycine 0 N--CA 1.438 -1.213 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.789 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -173.15 96.81 0.11 Allowed Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.894 ' HA ' ' ND2' ' A' ' 12' ' ' ASN . 21.9 p90 -73.93 145.9 44.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.894 0.378 . . . . 0.0 111.917 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.612 ' SG ' ' HE3' ' A' ' 11' ' ' TRP . 18.9 m -68.24 117.34 9.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.419 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.429 HD21 ' HB ' ' A' ' 35' ' ' VAL . 34.3 p30 -92.37 -164.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.916 -0.714 . . . . 0.0 109.589 177.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -69.82 -36.22 75.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.912 0.387 . . . . 0.0 111.332 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -81.61 15.13 2.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.78 -179.515 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 57.91 38.2 26.96 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.158 0.504 . . . . 0.0 111.179 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.429 ' HB ' HD21 ' A' ' 31' ' ' ASN . 83.7 t -116.53 138.29 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.354 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.2 p -79.94 114.21 18.68 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.478 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 47.3 t -81.07 94.27 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.037 0.446 . . . . 0.0 110.013 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 71.5 m -74.14 123.57 24.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.276 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 -160.88 144.19 13.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.227 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.453 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 58.8 t-20 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.344 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.406 ' HB3' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.891 0.377 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.1 m -54.97 -21.66 12.56 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.006 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' A' ' 34' ' ' ALA . 54.5 m -48.52 -47.82 38.72 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.741 0.416 . . . . 0.0 111.181 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.512 ' HB3' ' OD1' ' A' ' 10' ' ' ASN . 31.7 t70 171.4 -32.2 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.675 0.609 . . . . 0.0 110.063 178.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 9' ' ' TRP . 35.8 tp 72.94 43.06 0.43 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.001 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 7' ' ' SER . . . -87.3 28.38 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.361 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 13.8 t 174.72 -140.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.512 ' HB3' ' CD1' ' A' ' 9' ' ' TRP . 18.0 tptt -62.83 -42.8 99.88 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.699 ' HB2' ' OD1' ' A' ' 12' ' ' ASN . 3.3 m95 -136.97 -49.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 177.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.59 HD22 ' HE3' ' A' ' 11' ' ' TRP . 3.6 t30 173.28 -60.1 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.54 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.687 ' HE1' ' HB2' ' A' ' 16' ' ' CYS . 16.9 p90 -149.55 -53.73 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.699 ' OD1' ' HB2' ' A' ' 9' ' ' TRP . 4.9 m120 42.57 -96.49 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 176.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.81 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 48.2 m80 -57.04 -13.21 2.6 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.861 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 97.3 m -53.82 -39.68 65.76 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 123.35 0.406 . . . . 0.0 111.016 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 pp -168.09 -37.79 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.836 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.687 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 5.2 t -62.28 -49.99 73.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.15 0.5 . . . . 0.0 110.878 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.81 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -74.31 -18.53 60.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.816 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.29 -41.96 76.75 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.07 0.462 . . . . 0.0 110.048 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -60.72 -40.72 93.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.147 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.4 m -66.43 -45.48 79.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.778 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.502 HD11 ' HD2' ' A' ' 13' ' ' HIS . 52.8 mt -59.09 -43.66 89.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 110.49 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.94 76.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.345 0.593 . . . . 0.0 110.212 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -85.02 18.15 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.722 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 67.84 62.38 0.41 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 122.953 0.501 . . . . 0.0 111.678 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 83.1 m-85 -145.5 166.44 25.67 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -73.5 -34.87 65.49 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.996 0.903 . . . . 0.0 108.862 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.59 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 160.14 -137.34 4.99 Favored Glycine 0 N--CA 1.433 -1.55 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -152.19 124.09 1.58 Allowed Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.233 -0.984 . . . . 0.0 111.738 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -78.33 147.6 34.14 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.608 ' SG ' ' HA ' ' A' ' 34' ' ' ALA . 36.0 t -79.2 136.03 36.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.573 0.225 . . . . 0.0 110.397 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.435 ' ND2' ' HB ' ' A' ' 35' ' ' VAL . 52.9 p30 -104.09 -159.28 0.71 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.3 m -68.21 -25.64 65.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.616 ' HG3' HG23 ' A' ' 35' ' ' VAL . 3.1 ptpp? -109.73 27.87 9.14 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.685 ' HB1' ' HH2' ' A' ' 11' ' ' TRP . . . 57.95 25.85 12.7 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 178.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.616 HG23 ' HG3' ' A' ' 33' ' ' LYS . 74.3 t -91.76 125.26 44.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.5 p -81.31 98.73 8.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.146 0.498 . . . . 0.0 110.318 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.525 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 38.5 t -76.44 113.75 15.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.108 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 67.9 m -60.27 128.89 38.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.056 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -155.21 149.24 25.72 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.711 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 p30 . . . . . 0 C--O 1.255 1.343 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.759 179.439 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.766 ' HB3' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 121.154 0.502 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.577 ' HB ' ' O ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -85.01 -144.59 0.09 Allowed 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.158 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.413 ' H ' HG22 ' A' ' 2' ' ' THR . 97.5 m 54.17 45.53 27.21 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.946 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.8 t70 73.27 -15.69 0.53 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.658 0.783 . . . . 0.0 112.635 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.766 HD13 ' HB3' ' A' ' 1' ' ' ALA . 16.7 tp 56.42 36.62 27.83 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.301 0.572 . . . . 0.0 110.732 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.33 -33.16 74.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.655 0.741 . . . . 0.0 109.515 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.9 m -152.93 -157.19 0.77 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' C ' ' CD1' ' A' ' 9' ' ' TRP . 54.9 mtmt -65.95 94.74 0.24 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.969 ' HB2' ' HB2' ' A' ' 12' ' ' ASN . 0.6 OUTLIER 55.13 32.81 19.11 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.691 HD22 ' HE3' ' A' ' 11' ' ' TRP . 57.5 t30 62.95 -109.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 113.428 -1.715 . . . . 0.0 110.123 -177.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.691 ' HE3' HD22 ' A' ' 10' ' ' ASN . 6.5 p90 -77.7 -52.85 8.29 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.197 -0.601 . . . . 0.0 109.412 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.969 ' HB2' ' HB2' ' A' ' 9' ' ' TRP . 63.3 t30 44.97 -104.14 0.08 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 177.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.814 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 15.1 p-80 -54.57 -18.06 3.98 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 124.585 1.154 . . . . 0.0 111.921 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.57 HG22 ' HG ' ' A' ' 15' ' ' LEU . 90.6 m -53.93 -43.52 69.84 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.556 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.57 ' HG ' HG22 ' A' ' 14' ' ' THR . 90.9 mt -147.97 -59.15 0.25 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.71 -48.8 80.16 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.814 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -70.24 -32.3 70.1 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.432 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.43 -38.66 77.92 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.891 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -59.28 -40.49 86.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.56 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.7 m -69.64 -41.54 75.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.449 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 17' ' ' ALA . 82.9 mt -57.09 -41.25 77.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.081 0.467 . . . . 0.0 110.049 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.91 82.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.397 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -81.01 18.47 1.02 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.633 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 65.45 30.57 10.77 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 122.961 0.505 . . . . 0.0 111.918 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -105.94 158.42 16.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -62.01 -43.15 99.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.866 0.841 . . . . 0.0 108.859 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 162.0 -132.88 2.94 Favored Glycine 0 N--CA 1.436 -1.36 0 N-CA-C 109.196 -1.561 . . . . 0.0 109.196 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.42 132.2 2.54 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.37 -0.919 . . . . 0.0 111.222 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.546 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 0.4 OUTLIER -69.22 131.0 44.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.073 0.463 . . . . 0.0 110.958 -179.269 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.643 ' H ' ' HE3' ' A' ' 9' ' ' TRP . 4.2 t -85.67 92.55 8.6 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.438 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.716 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 3.0 m120 -71.63 164.42 25.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.5 m -47.94 -43.72 29.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 11.8 mptt -88.09 31.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 56.54 35.5 26.12 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.206 0.527 . . . . 0.0 111.31 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.736 HG12 HG23 ' A' ' 37' ' ' VAL . 3.5 t -83.28 60.37 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.775 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 1.2 p -70.83 70.13 0.48 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.863 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.736 HG23 HG12 ' A' ' 35' ' ' VAL . 94.1 t -76.49 128.41 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.348 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 74.5 m -58.46 129.98 44.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.61 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.424 ' C ' ' HD2' ' A' ' 39' ' ' ARG . 5.9 ppt_? -150.22 145.94 26.53 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.582 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 . . . . . 0 C--N 1.313 -1.01 0 CA-C-O 118.424 -0.798 . . . . 0.0 108.875 179.521 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 121.108 0.48 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.681 ' HB ' ' HA ' ' A' ' 32' ' ' SER . 7.0 m -92.89 -123.52 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 74.1 m 53.97 -117.1 1.13 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 118.801 0.728 . . . . 0.0 109.557 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' A' ' 3' ' ' CYS . 45.3 t0 174.29 73.5 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.092 0.245 . . . . 0.0 111.456 178.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.77 ' HB3' ' HA ' ' A' ' 10' ' ' ASN . 25.1 tp -133.21 -70.88 0.53 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 119.644 -0.822 . . . . 0.0 112.092 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' H ' ' HA ' ' A' ' 10' ' ' ASN . . . 68.32 -30.55 0.18 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.2 m -47.24 -71.53 0.07 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 117.916 0.326 . . . . 0.0 111.05 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.09 -44.34 69.26 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 177.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.66 ' HZ2' ' ND1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER 174.2 -38.88 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 113.036 -1.893 . . . . 0.0 107.422 177.31 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.77 ' HA ' ' HB3' ' A' ' 5' ' ' LEU . 5.2 t-20 174.01 -179.82 0.1 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.79 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.746 ' HE3' ' HB2' ' A' ' 30' ' ' CYS . 40.5 t90 -53.47 -24.33 12.63 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.714 0.805 . . . . 0.0 110.845 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.648 ' OD1' ' HB3' ' A' ' 10' ' ' ASN . 2.4 m-20 -25.01 -85.23 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.427 1.491 . . . . 0.0 114.113 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.66 ' ND1' ' HZ2' ' A' ' 9' ' ' TRP . 6.0 m80 -92.64 43.4 1.13 Allowed 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.903 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.505 HG23 ' HG ' ' A' ' 15' ' ' LEU . 2.2 t -86.29 -33.29 20.69 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 119.265 -0.974 . . . . 0.0 110.112 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.505 ' HG ' HG23 ' A' ' 14' ' ' THR . 4.2 pp -175.21 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.251 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 9.6 p -66.82 -41.97 86.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.662 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.639 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -61.81 -36.51 81.32 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.428 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 21' ' ' ILE . . . -53.39 -36.49 61.49 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.599 0.562 . . . . 0.0 109.827 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.422 ' HB3' ' O ' ' A' ' 16' ' ' CYS . 78.1 t60 -63.2 -44.15 96.17 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.082 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.2 m -64.21 -33.31 75.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.558 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 18' ' ' ALA . 72.3 mt -61.61 -43.28 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.197 0.522 . . . . 0.0 109.874 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.69 -31.77 71.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 109.106 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 11.6 tpp180 -74.82 -1.78 23.71 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.481 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.645 ' HE ' ' HA ' ' A' ' 24' ' ' ARG . 3.5 mmp_? 74.64 51.19 0.09 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.713 0.768 . . . . 0.0 111.76 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.666 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 33.1 m-85 -136.3 157.45 46.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.818 178.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 10.1 ttm180 -52.15 -43.17 63.92 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 122.085 0.945 . . . . 0.0 109.266 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 159.31 -143.03 8.77 Favored Glycine 0 N--CA 1.431 -1.691 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.237 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.81 141.41 9.43 Favored Glycine 0 N--CA 1.434 -1.483 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.479 ' HA ' ' ND2' ' A' ' 12' ' ' ASN . 34.6 p90 -108.54 140.62 41.63 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.746 ' HB2' ' HE3' ' A' ' 11' ' ' TRP . 2.2 t -66.0 110.21 2.84 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -61.81 -70.66 0.18 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.98 0.419 . . . . 0.0 110.549 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.681 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 23.6 t -176.4 -46.83 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -87.76 31.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.263 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.57 34.71 17.68 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.567 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -97.12 121.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.477 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.628 ' HB2' ' CH2' ' A' ' 11' ' ' TRP . 7.8 t -92.97 82.21 4.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.966 0.412 . . . . 0.0 110.095 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.421 ' HB ' ' CE1' ' A' ' 29' ' ' TYR . 25.2 t -71.35 115.11 10.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.366 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 74.7 m -68.92 131.53 45.24 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.496 ' O ' ' HB3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -130.98 138.93 49.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.617 -179.308 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.666 ' HB2' ' HA ' ' A' ' 25' ' ' TYR . 12.3 t-20 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.029 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.607 ' HB3' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.82 0.343 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 5.3 m -63.46 94.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.982 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.1 p -177.84 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.943 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.947 ' HB3' ' HB3' ' A' ' 10' ' ' ASN . 10.9 t70 -176.79 -45.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.013 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 1' ' ' ALA . 45.0 tp 61.64 45.53 7.97 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.926 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.8 -42.35 58.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.457 0.646 . . . . 0.0 110.129 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 50.1 m -152.51 87.31 1.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.774 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 7' ' ' SER . 2.8 mppt? 74.52 -52.23 0.68 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.802 0.841 . . . . 0.0 109.387 -177.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -171.0 100.49 0.21 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.281 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.947 ' HB3' ' HB3' ' A' ' 4' ' ' ASP . 49.7 t30 -65.39 162.19 18.21 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.515 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 23.0 t90 68.4 -114.54 0.14 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 105.568 -2.012 . . . . 0.0 105.568 -177.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.465 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 19.5 t-20 49.55 -99.79 0.07 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 176.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.742 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 2.8 m-70 -57.28 -22.36 41.03 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 124.18 0.992 . . . . 0.0 111.931 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.551 HG22 HD23 ' A' ' 15' ' ' LEU . 89.5 m -40.43 -48.5 2.76 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -177.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.551 HD23 HG22 ' A' ' 14' ' ' THR . 2.3 pp -166.48 -36.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.864 0.364 . . . . 0.0 110.724 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.0 t -62.07 -50.35 72.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.432 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -69.07 -29.16 67.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.197 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' HA ' HD12 ' A' ' 21' ' ' ILE . . . -52.41 -35.25 51.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.2 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -62.13 -45.81 91.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.217 0.532 . . . . 0.0 110.093 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . 74.9 m -67.87 -34.44 76.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.666 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 17' ' ' ALA . 63.5 mt -62.1 -44.15 98.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.939 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.82 75.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.969 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.518 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 15.4 tpt180 -65.58 -59.94 3.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.868 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.518 ' HB3' ' O ' ' A' ' 23' ' ' ARG . 9.1 ptm180 164.05 -17.47 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.952 0.783 . . . . 0.0 110.85 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 71.4 m-85 -76.8 163.83 26.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.34 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.572 ' CB ' ' HA ' ' A' ' 40' ' ' ASN . 51.2 ttt180 -62.42 -42.73 99.66 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.606 0.717 . . . . 0.0 109.235 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.557 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 168.64 -120.72 0.9 Allowed Glycine 0 N--CA 1.432 -1.581 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -168.58 129.77 1.95 Allowed Glycine 0 N--CA 1.438 -1.233 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -65.93 163.34 17.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.689 0.281 . . . . 0.0 110.813 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 2' ' ' THR . 89.6 m -78.71 102.26 7.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.112 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.612 ' HB3' ' H ' ' A' ' 35' ' ' VAL . 24.0 t-20 -71.36 154.81 41.3 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.448 ' HA ' HG21 ' A' ' 2' ' ' THR . 49.7 m -55.61 -38.5 69.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.351 0.596 . . . . 0.0 110.189 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.487 ' HG3' HG23 ' A' ' 35' ' ' VAL . 17.4 ptpt -86.93 26.74 1.1 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.02 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 54.12 46.83 24.58 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.612 ' H ' ' HB3' ' A' ' 31' ' ' ASN . 91.4 t -116.64 132.84 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.381 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.2 p -90.4 82.65 5.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.06 0.457 . . . . 0.0 110.629 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.43 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 39.7 t -67.23 117.03 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.8 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 86.8 m -50.89 121.57 6.17 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 123.547 0.529 . . . . 0.0 111.323 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.09 150.49 18.6 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.821 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.572 ' HA ' ' CB ' ' A' ' 26' ' ' ARG . 49.6 t30 . . . . . 0 C--N 1.308 -1.21 0 CA-C-O 118.503 -0.761 . . . . 0.0 109.567 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.866 ' HB3' HD23 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.94 0.4 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.48 -166.59 1.26 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.118 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 10' ' ' ASN . 3.2 m 61.28 35.11 18.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.76 177.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 60.66 56.17 3.1 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.866 HD23 ' HB3' ' A' ' 1' ' ' ALA . 0.3 OUTLIER -38.3 79.06 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.685 ' H ' ' HB2' ' A' ' 10' ' ' ASN . . . -64.25 -48.67 74.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.3 p -103.13 -124.95 0.2 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -69.54 -40.15 77.05 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 176.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.602 ' HB3' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -166.26 114.25 0.9 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.358 -1.747 . . . . 0.0 107.789 177.286 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.817 ' H ' ' HA ' ' A' ' 5' ' ' LEU . 34.9 t30 -53.71 145.02 16.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.093 -178.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.456 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 23.5 t90 68.01 -118.18 0.19 Allowed 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.427 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 12.8 t-20 57.5 -116.18 0.92 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 120.958 0.409 . . . . 0.0 111.711 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.828 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 10.2 p-80 -61.83 4.43 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -178.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.431 ' HB ' HD23 ' A' ' 15' ' ' LEU . 37.7 m -61.9 -36.38 81.14 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.318 0.58 . . . . 0.0 109.596 178.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.431 HD23 ' HB ' ' A' ' 14' ' ' THR . 1.4 pt? -165.73 -36.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.286 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 17' ' ' ALA . 8.1 p -67.36 -50.83 58.22 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.086 -0.245 . . . . 0.0 111.598 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.828 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -71.98 -25.53 61.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 0.0 110.651 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.23 -35.16 69.35 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.332 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.34 -43.77 98.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.669 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.6 m -66.83 -43.41 83.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.369 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 76.5 mt -55.86 -41.27 66.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.264 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.21 -37.72 88.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.76 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -81.7 18.03 1.34 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.46 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 69.63 45.43 0.79 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.512 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.591 ' HA ' ' OD1' ' A' ' 40' ' ' ASN . 34.3 m-85 -121.81 155.78 34.62 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.619 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 9.9 ttm-85 -58.04 -40.71 81.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.97 0.89 . . . . 0.0 109.563 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.62 -132.5 2.93 Favored Glycine 0 N--CA 1.434 -1.442 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.82 130.45 2.07 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.585 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -70.88 140.58 51.11 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 p -90.68 130.21 36.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.377 0.608 . . . . 0.0 110.081 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.557 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 4.1 m120 -85.76 149.37 25.32 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.091 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -56.2 -28.57 58.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.977 0.418 . . . . 0.0 110.534 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -85.63 20.16 2.2 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.672 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.53 54.63 1.88 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.213 0.53 . . . . 0.0 111.844 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.557 ' HB ' ' HB2' ' A' ' 31' ' ' ASN . 22.0 t -128.47 144.17 38.77 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.68 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.1 m -126.99 110.95 13.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.202 0.525 . . . . 0.0 111.509 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.8 t -99.42 126.95 52.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.001 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.3 m -58.88 137.34 57.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.283 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.619 ' O ' ' HB3' ' A' ' 26' ' ' ARG . 9.8 ptm180 -146.18 142.49 28.48 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.591 ' OD1' ' HA ' ' A' ' 25' ' ' TYR . 55.2 m-20 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.049 -0.976 . . . . 0.0 110.062 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.585 ' HB1' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.338 0.59 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.446 ' HB ' ' HA ' ' A' ' 32' ' ' SER . 1.7 m -98.96 50.79 0.96 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.462 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.877 ' SG ' ' HA ' ' A' ' 34' ' ' ALA . 65.8 m -140.56 97.09 3.14 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.505 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.54 -42.44 0.44 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.025 0.93 . . . . 0.0 112.987 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 18.5 tp 66.12 25.39 10.78 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.293 0.637 . . . . 0.0 111.113 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.48 77.73 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 p -107.19 -53.41 2.62 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.585 ' O ' ' HB1' ' A' ' 1' ' ' ALA . 43.2 pttt -174.11 -45.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.724 -1.58 . . . . 0.0 108.247 177.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.46 ' HB3' ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -136.99 34.68 2.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.51 0.672 . . . . 0.0 110.119 177.708 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.618 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 26.4 t30 51.12 -125.15 2.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.14 -1.391 . . . . 0.0 112.671 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.618 ' HE3' ' HB3' ' A' ' 10' ' ' ASN . 2.5 p90 -63.91 -61.05 2.53 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -177.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 19.6 t-20 51.65 -94.3 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.925 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 64.5 m80 -67.85 -10.08 49.99 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 123.094 0.558 . . . . 0.0 111.855 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.5 m -53.86 -36.59 62.78 Favored 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 123.434 0.459 . . . . 0.0 111.502 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -165.47 -34.3 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.592 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 t -67.24 -52.58 39.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 111.3 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.925 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -68.87 -23.25 64.19 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.388 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.51 -35.59 70.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.091 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -63.24 -38.95 93.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.141 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . 40.8 m -72.01 -44.27 63.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.568 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.4 mt -65.14 -38.09 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.996 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.28 68.32 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.489 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.12 -86.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.1 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -172.61 36.4 0.01 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.031 0.443 . . . . 0.0 111.189 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' HB2' ' HB3' ' A' ' 20' ' ' CYS . 52.0 m-85 -108.82 172.01 7.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.512 ' H ' ' HA ' ' A' ' 40' ' ' ASN . 25.1 ttm180 -71.6 -44.26 64.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.156 0.979 . . . . 0.0 108.523 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.75 -136.81 4.18 Favored Glycine 0 N--CA 1.432 -1.574 0 CA-C-N 113.806 -1.543 . . . . 0.0 109.547 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.636 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -154.66 95.34 0.15 Allowed Glycine 0 N--CA 1.438 -1.215 0 C-N-CA 120.215 -0.993 . . . . 0.0 111.599 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -60.47 133.3 55.96 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 t -76.53 119.23 20.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.388 -177.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -85.64 -167.31 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.936 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.446 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 32.4 t -70.43 -28.19 64.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.66 0.267 . . . . 0.0 111.654 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -83.78 10.44 9.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.708 -0.223 . . . . 0.0 111.542 -179.52 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.877 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . . . 59.97 42.19 16.43 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.222 0.534 . . . . 0.0 111.478 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.63 139.41 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.978 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.435 ' HB2' ' HA3' ' A' ' 28' ' ' GLY . 25.0 p -83.45 119.99 25.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.006 0.431 . . . . 0.0 110.14 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.636 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 22.9 t -88.41 109.03 19.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.199 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.8 m -64.74 117.95 8.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.629 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -167.08 148.41 5.83 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.94 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.512 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 18.7 p30 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.757 -0.639 . . . . 0.0 109.458 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.408 ' HB1' ' SG ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.898 0.38 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.575 HG21 ' HA ' ' A' ' 32' ' ' SER . 6.1 m -66.52 -23.49 66.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.788 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.47 ' C ' ' H ' ' A' ' 5' ' ' LEU . 1.4 p -71.82 61.94 0.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.3 t70 69.12 -24.56 0.14 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.47 ' H ' ' C ' ' A' ' 3' ' ' CYS . 34.2 tp 69.62 32.73 3.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.531 0.681 . . . . 0.0 109.97 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.723 ' HB3' ' HA ' ' A' ' 10' ' ' ASN . . . -67.41 113.82 5.59 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.5 m 68.31 -66.84 0.21 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 124.0 0.812 . . . . 0.0 110.652 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 7.9 mtpm? -140.83 -55.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.472 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -152.85 46.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.598 178.522 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.723 ' HA ' ' HB3' ' A' ' 6' ' ' ALA . 0.5 OUTLIER 60.57 -136.21 0.66 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.496 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.496 ' HE3' ' H ' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -64.28 -49.1 73.14 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.489 HD21 ' HA ' ' A' ' 29' ' ' TYR . 13.7 t-20 44.05 -103.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.648 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 5.4 p-80 -75.76 21.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -177.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 11' ' ' TRP . 11.2 p -76.85 -34.53 57.83 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.511 0.672 . . . . 0.0 109.22 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp -160.92 -44.15 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.106 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.99 -55.68 17.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.71 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.648 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -77.4 -34.3 54.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.531 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 13' ' ' HIS . . . -52.93 -44.64 67.17 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.731 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -56.99 -42.56 80.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.012 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.7 m -72.39 -35.9 68.55 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.549 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 17' ' ' ALA . 67.2 mt -63.88 -45.96 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.29 0.567 . . . . 0.0 109.536 178.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.87 74.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.637 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.521 ' HA ' ' NE ' ' A' ' 23' ' ' ARG . 4.4 mmp_? -68.59 -81.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.152 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.23 48.91 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.476 0.655 . . . . 0.0 110.782 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 75.1 m-85 -136.27 170.23 16.37 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.696 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -73.51 -27.36 61.33 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 119.186 -1.005 . . . . 0.0 109.536 179.597 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.544 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 155.64 -136.31 5.01 Favored Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.692 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -156.54 72.13 0.25 Allowed Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.793 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.489 ' HA ' HD21 ' A' ' 12' ' ' ASN . 47.2 p90 -62.28 138.47 58.43 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 125.61 28.41 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.568 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.511 HD21 ' HG2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -75.75 -165.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.727 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.575 ' HA ' HG21 ' A' ' 2' ' ' THR . 2.8 m -75.23 40.2 0.16 Allowed 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.554 ' NZ ' ' HB3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -175.3 40.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 179.103 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 67.53 -39.33 0.37 Allowed 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -48.21 127.44 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 117.93 19.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.162 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.446 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 61.4 t -93.79 106.48 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.1 0.476 . . . . 0.0 110.294 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 72.5 m -87.45 125.72 34.46 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.374 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.696 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 35.3 ptt180 -172.24 -173.4 1.08 Allowed 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.937 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 . . . . . 0 C--N 1.306 -1.324 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.483 179.719 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 9' ' ' TRP . . . . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.445 0.164 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.483 ' HB ' ' O ' ' A' ' 30' ' ' CYS . 1.2 m 50.63 47.74 23.81 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.751 0.657 . . . . 0.0 111.191 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.612 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -158.32 44.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.255 -178.824 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.2 t70 77.43 -29.56 0.17 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.479 0.712 . . . . 0.0 111.529 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 33.3 tp 71.66 44.71 0.49 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.467 0.707 . . . . 0.0 111.783 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.07 -44.2 76.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.128 0.49 . . . . 0.0 109.957 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.8 m -163.65 103.47 0.92 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt 71.85 -56.58 0.64 Allowed 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.788 0.68 . . . . 0.0 109.667 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.451 ' HA ' ' HB1' ' A' ' 1' ' ' ALA . 6.1 m95 -137.49 -69.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.719 HD22 ' HE3' ' A' ' 11' ' ' TRP . 55.3 t30 -175.76 -55.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.066 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.719 ' HE3' HD22 ' A' ' 10' ' ' ASN . 9.6 p90 -141.05 -49.35 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.513 ' OD1' ' HB2' ' A' ' 17' ' ' ALA . 9.8 t-20 41.43 -90.45 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 176.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.808 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 40.3 m80 -74.97 11.92 0.99 Allowed 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.49 ' HB ' ' HD1' ' A' ' 11' ' ' TRP . 97.9 m -64.26 -34.34 77.88 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.065 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.498 ' HG ' ' N ' ' A' ' 16' ' ' CYS . 1.4 pt? -167.93 -40.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.066 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.498 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 77.0 m -60.82 -57.4 12.83 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.808 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -58.18 -40.48 81.59 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.476 -178.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.2 -41.17 78.87 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.166 0.508 . . . . 0.0 110.393 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -59.86 -41.12 90.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.956 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -70.66 -40.96 72.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.363 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 80.3 mt -56.73 -37.39 52.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 120.951 0.405 . . . . 0.0 110.828 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.56 -33.12 74.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.232 0.539 . . . . 0.0 109.934 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.512 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 75.8 mtp180 -86.03 24.94 1.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.618 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 23' ' ' ARG . 41.5 ttt85 75.75 -21.73 0.3 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.528 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 13.0 m-85 -57.19 150.01 18.53 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 122.062 0.145 . . . . 0.0 110.847 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.506 ' HB3' ' O ' ' A' ' 40' ' ' ASN . 12.8 ptp180 -61.02 -35.12 76.03 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.388 0.613 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 161.01 -132.09 2.78 Favored Glycine 0 N--CA 1.434 -1.44 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.58 154.53 21.51 Favored Glycine 0 N--CA 1.439 -1.166 0 C-N-CA 120.573 -0.823 . . . . 0.0 112.259 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.502 ' CD1' ' HB3' ' A' ' 39' ' ' ARG . 42.4 p90 -131.13 136.15 48.1 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.583 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 14.9 m -82.67 123.01 28.87 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.606 -179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' A' ' 33' ' ' LYS . 31.7 m-20 -79.14 -178.76 6.33 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.4 m -72.29 35.96 0.07 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.083 0.468 . . . . 0.0 111.633 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.446 ' H ' ' C ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -149.98 18.1 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.78 179.286 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 54.49 54.16 9.74 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.139 0.495 . . . . 0.0 111.087 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 58.7 t -119.17 129.91 74.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.818 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 16' ' ' CYS . 5.0 p -80.57 78.43 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.704 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.5 t -87.32 131.73 34.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.718 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 65.7 m -69.2 141.99 54.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.294 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.502 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 12.0 ptm180 -145.89 134.33 21.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.093 0.473 . . . . 0.0 110.371 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.506 ' O ' ' HB3' ' A' ' 26' ' ' ARG . 59.3 m-80 . . . . . 0 C--N 1.316 -0.866 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.204 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.929 0.395 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.3 m -77.24 47.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 110.197 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 1.6 m -92.95 -35.54 13.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.343 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -173.25 -35.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.69 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.2 tp -149.47 -82.59 0.11 Allowed 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.738 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -175.83 -89.54 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 9' ' ' TRP . 13.5 m 53.79 33.96 18.09 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.449 0.468 . . . . 0.0 110.695 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.42 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 33.9 mmtp 74.88 -51.44 0.67 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 -175.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.42 ' CD1' ' O ' ' A' ' 8' ' ' LYS . 4.1 m0 -157.54 113.39 2.84 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 126.425 1.89 . . . . 0.0 106.298 176.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.675 HD22 ' HE3' ' A' ' 11' ' ' TRP . 2.3 t30 -44.88 -54.05 6.88 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.512 -175.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.675 ' HE3' HD22 ' A' ' 10' ' ' ASN . 12.2 p90 -152.11 -54.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 m120 46.32 -93.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.843 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 68.2 m80 -72.42 7.56 1.76 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.602 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.1 m -60.76 -48.12 83.24 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.144 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -152.94 -43.64 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.249 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 t -58.83 -57.79 11.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.356 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.843 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -70.8 -17.86 62.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.67 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.27 92.25 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -61.71 -37.39 84.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.772 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.8 m -64.18 -41.16 97.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.751 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.837 HD11 ' HD2' ' A' ' 13' ' ' HIS . 68.2 mt -63.54 -41.53 92.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.993 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.4 -42.46 82.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.11 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -66.57 -79.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.94 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? 176.27 43.24 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.019 0.438 . . . . 0.0 111.006 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -128.37 165.09 21.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.432 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 5.5 ptp180 -66.53 -32.36 73.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 122.182 0.991 . . . . 0.0 109.73 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.651 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 155.83 -125.99 1.74 Allowed Glycine 0 N--CA 1.428 -1.839 0 N-CA-C 108.52 -1.832 . . . . 0.0 108.52 -178.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -174.87 124.3 1.0 Allowed Glycine 0 N--CA 1.433 -1.535 0 C-N-CA 119.831 -1.176 . . . . 0.0 112.823 178.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -81.28 149.66 28.88 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 34' ' ' ALA . 34.6 m -72.23 129.43 38.41 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.399 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.475 ' OD1' ' HG2' ' A' ' 33' ' ' LYS . 24.0 p30 -86.18 -154.99 0.23 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 m -64.35 -35.42 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -99.3 30.8 3.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.73 0.3 . . . . 0.0 111.612 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . . . 57.2 19.09 4.62 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.442 ' HB ' HD21 ' A' ' 31' ' ' ASN . 47.7 t -90.68 136.87 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.8 p -72.71 127.26 32.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.963 0.411 . . . . 0.0 110.636 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.432 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 48.5 t -95.12 101.59 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.686 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 42.1 m -64.02 117.61 7.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.589 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.584 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 2.2 ptp180 -173.81 148.92 1.5 Allowed 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.994 0.426 . . . . 0.0 110.437 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.15 179.233 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.771 0.319 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.2 m -75.03 -105.54 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.77 ' SG ' ' HB3' ' A' ' 11' ' ' TRP . 4.6 p 35.51 -110.78 0.06 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 177.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 24.7 t70 -55.43 -80.68 0.02 OUTLIER 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.017 0.527 . . . . 0.0 111.307 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 35.1 tp 172.05 -91.49 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -168.93 43.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.409 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 m -64.44 -92.89 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.483 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -73.64 -30.4 62.92 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.883 ' HE1' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -170.32 -31.06 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.632 -1.622 . . . . 0.0 106.795 179.033 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.526 HD21 ' ND2' ' A' ' 12' ' ' ASN . 8.0 p-10 146.34 -151.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 127.099 2.16 . . . . 0.0 106.483 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.77 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 24.3 t90 -74.95 -117.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.883 ' HB2' ' HE1' ' A' ' 9' ' ' TRP . 78.5 m-20 58.05 -100.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.312 0.506 . . . . 0.0 111.582 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.466 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 21.5 m-70 -64.39 -1.53 1.76 Allowed 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.577 ' HB ' ' HD1' ' A' ' 11' ' ' TRP . 59.8 m -53.36 -50.92 64.05 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.966 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 14' ' ' THR . 63.8 mt -161.05 -46.88 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.134 0.492 . . . . 0.0 110.248 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -56.91 -51.53 68.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.01 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.566 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -69.57 -39.11 77.54 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.97 -46.39 61.19 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.522 0.514 . . . . 0.0 111.268 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 64.9 t60 -58.45 -47.93 82.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.731 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 71.9 m -70.7 -32.57 69.83 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.124 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 17' ' ' ALA . 69.4 mt -60.24 -41.24 86.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 121.273 0.559 . . . . 0.0 109.501 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.92 -27.63 68.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.548 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 31.0 mmm180 -80.67 14.46 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.881 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 75.16 25.99 1.27 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.946 0.898 . . . . 0.0 111.986 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.492 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 4.1 m-85 -106.42 164.99 11.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.453 ' H ' ' HA ' ' A' ' 40' ' ' ASN . 38.3 ttm-85 -62.76 -41.9 99.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.713 0.768 . . . . 0.0 108.95 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.63 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 158.04 -122.48 1.16 Allowed Glycine 0 N--CA 1.438 -1.213 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.789 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -173.15 96.81 0.11 Allowed Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.749 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 21.9 p90 -73.93 145.9 44.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.894 0.378 . . . . 0.0 111.917 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.612 ' SG ' ' HE3' ' A' ' 11' ' ' TRP . 18.9 m -68.24 117.34 9.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.419 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.429 HD21 ' HB ' ' A' ' 35' ' ' VAL . 34.3 p30 -92.37 -164.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.916 -0.714 . . . . 0.0 109.589 177.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -69.82 -36.22 75.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.912 0.387 . . . . 0.0 111.332 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -81.61 15.13 2.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.78 -179.515 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 57.91 38.2 26.96 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.158 0.504 . . . . 0.0 111.179 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.429 ' HB ' HD21 ' A' ' 31' ' ' ASN . 83.7 t -116.53 138.29 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.354 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.2 p -79.94 114.21 18.68 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.478 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 47.3 t -81.07 94.27 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.037 0.446 . . . . 0.0 110.013 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 71.5 m -74.14 123.57 24.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.276 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 -160.88 144.19 13.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.227 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.453 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.344 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.406 ' HB3' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.891 0.377 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.1 m -54.97 -21.66 12.56 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.006 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' A' ' 34' ' ' ALA . 54.5 m -48.52 -47.82 38.72 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.741 0.416 . . . . 0.0 111.181 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.512 ' HB3' ' OD1' ' A' ' 10' ' ' ASN . 31.7 t70 171.4 -32.2 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.675 0.609 . . . . 0.0 110.063 178.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 9' ' ' TRP . 35.8 tp 72.94 43.06 0.43 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.001 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 7' ' ' SER . . . -87.3 28.38 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.361 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 13.8 t 174.72 -140.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.512 ' HB3' ' CD1' ' A' ' 9' ' ' TRP . 18.0 tptt -62.83 -42.8 99.88 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.699 ' HB2' ' OD1' ' A' ' 12' ' ' ASN . 3.3 m95 -136.97 -49.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 177.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.59 HD22 ' HE3' ' A' ' 11' ' ' TRP . 3.6 t30 173.28 -60.1 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.54 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.687 ' HE1' ' HB2' ' A' ' 16' ' ' CYS . 16.9 p90 -149.55 -53.73 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.699 ' OD1' ' HB2' ' A' ' 9' ' ' TRP . 4.9 m120 42.57 -96.49 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 176.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.81 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 48.2 m80 -57.04 -13.21 2.6 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.861 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 97.3 m -53.82 -39.68 65.76 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 123.35 0.406 . . . . 0.0 111.016 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 pp -168.09 -37.79 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.836 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.687 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 5.2 t -62.28 -49.99 73.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.15 0.5 . . . . 0.0 110.878 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.81 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -74.31 -18.53 60.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.816 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.29 -41.96 76.75 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.07 0.462 . . . . 0.0 110.048 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -60.72 -40.72 93.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.147 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.4 m -66.43 -45.48 79.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.778 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.502 HD11 ' HD2' ' A' ' 13' ' ' HIS . 52.8 mt -59.09 -43.66 89.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 110.49 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.94 76.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.345 0.593 . . . . 0.0 110.212 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -85.02 18.15 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.722 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 67.84 62.38 0.41 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 122.953 0.501 . . . . 0.0 111.678 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 83.1 m-85 -145.5 166.44 25.67 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -73.5 -34.87 65.49 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.996 0.903 . . . . 0.0 108.862 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.59 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 160.14 -137.34 4.99 Favored Glycine 0 N--CA 1.433 -1.55 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -152.19 124.09 1.58 Allowed Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.233 -0.984 . . . . 0.0 111.738 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -78.33 147.6 34.14 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.608 ' SG ' ' HA ' ' A' ' 34' ' ' ALA . 36.0 t -79.2 136.03 36.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.573 0.225 . . . . 0.0 110.397 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.435 ' ND2' ' HB ' ' A' ' 35' ' ' VAL . 52.9 p30 -104.09 -159.28 0.71 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.3 m -68.21 -25.64 65.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.616 ' HG3' HG23 ' A' ' 35' ' ' VAL . 3.1 ptpp? -109.73 27.87 9.14 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.685 ' HB1' ' HH2' ' A' ' 11' ' ' TRP . . . 57.95 25.85 12.7 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 178.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.616 HG23 ' HG3' ' A' ' 33' ' ' LYS . 74.3 t -91.76 125.26 44.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.5 p -81.31 98.73 8.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.146 0.498 . . . . 0.0 110.318 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.525 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 38.5 t -76.44 113.75 15.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.108 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 67.9 m -60.27 128.89 38.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.056 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -155.21 149.24 25.72 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.711 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 p30 . . . . . 0 C--O 1.255 1.343 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.759 179.439 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.766 ' HB3' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 121.154 0.502 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.577 ' HB ' ' O ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -85.01 -144.59 0.09 Allowed 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.158 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.413 ' H ' HG22 ' A' ' 2' ' ' THR . 97.5 m 54.17 45.53 27.21 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.946 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.8 t70 73.27 -15.69 0.53 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.658 0.783 . . . . 0.0 112.635 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.766 HD13 ' HB3' ' A' ' 1' ' ' ALA . 16.7 tp 56.42 36.62 27.83 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.301 0.572 . . . . 0.0 110.732 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.33 -33.16 74.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.655 0.741 . . . . 0.0 109.515 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.9 m -152.93 -157.19 0.77 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.433 ' C ' ' CD1' ' A' ' 9' ' ' TRP . 54.9 mtmt -65.95 94.74 0.24 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.969 ' HB2' ' HB2' ' A' ' 12' ' ' ASN . 0.6 OUTLIER 55.13 32.81 19.11 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.691 HD22 ' HE3' ' A' ' 11' ' ' TRP . 57.5 t30 62.95 -109.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 113.428 -1.715 . . . . 0.0 110.123 -177.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.691 ' HE3' HD22 ' A' ' 10' ' ' ASN . 6.5 p90 -77.7 -52.85 8.29 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.197 -0.601 . . . . 0.0 109.412 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.969 ' HB2' ' HB2' ' A' ' 9' ' ' TRP . 63.3 t30 44.97 -104.14 0.08 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 177.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.814 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 15.1 p-80 -54.57 -18.06 3.98 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 124.585 1.154 . . . . 0.0 111.921 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.57 HG22 ' HG ' ' A' ' 15' ' ' LEU . 90.6 m -53.93 -43.52 69.84 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.556 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.57 ' HG ' HG22 ' A' ' 14' ' ' THR . 90.9 mt -147.97 -59.15 0.25 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.71 -48.8 80.16 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.814 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -70.24 -32.3 70.1 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.432 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.43 -38.66 77.92 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.891 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -59.28 -40.49 86.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.56 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.7 m -69.64 -41.54 75.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.449 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 17' ' ' ALA . 82.9 mt -57.09 -41.25 77.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.081 0.467 . . . . 0.0 110.049 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.91 82.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.397 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -81.01 18.47 1.02 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.633 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 65.45 30.57 10.77 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 122.961 0.505 . . . . 0.0 111.918 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -105.94 158.42 16.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -62.01 -43.15 99.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.866 0.841 . . . . 0.0 108.859 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 162.0 -132.88 2.94 Favored Glycine 0 N--CA 1.436 -1.36 0 N-CA-C 109.196 -1.561 . . . . 0.0 109.196 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.42 132.2 2.54 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.37 -0.919 . . . . 0.0 111.222 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.546 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 0.4 OUTLIER -69.22 131.0 44.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.073 0.463 . . . . 0.0 110.958 -179.269 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.643 ' H ' ' HE3' ' A' ' 9' ' ' TRP . 4.2 t -85.67 92.55 8.6 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.438 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.716 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 3.0 m120 -71.63 164.42 25.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.5 m -47.94 -43.72 29.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 11.8 mptt -88.09 31.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 56.54 35.5 26.12 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.206 0.527 . . . . 0.0 111.31 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.736 HG12 HG23 ' A' ' 37' ' ' VAL . 3.5 t -83.28 60.37 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.775 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 1.2 p -70.83 70.13 0.48 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.863 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.736 HG23 HG12 ' A' ' 35' ' ' VAL . 94.1 t -76.49 128.41 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.348 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 74.5 m -58.46 129.98 44.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.61 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 39' ' ' ARG . 5.9 ppt_? -150.22 145.94 26.53 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.582 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 . . . . . 0 C--N 1.313 -1.01 0 CA-C-O 118.424 -0.798 . . . . 0.0 108.875 179.521 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 121.108 0.48 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.681 ' HB ' ' HA ' ' A' ' 32' ' ' SER . 7.0 m -92.89 -123.52 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 74.1 m 53.97 -117.1 1.13 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 118.801 0.728 . . . . 0.0 109.557 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' A' ' 3' ' ' CYS . 45.3 t0 174.29 73.5 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.092 0.245 . . . . 0.0 111.456 178.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.77 ' HB3' ' HA ' ' A' ' 10' ' ' ASN . 25.1 tp -133.21 -70.88 0.53 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 119.644 -0.822 . . . . 0.0 112.092 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' H ' ' HA ' ' A' ' 10' ' ' ASN . . . 68.32 -30.55 0.18 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.2 m -47.24 -71.53 0.07 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 117.916 0.326 . . . . 0.0 111.05 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.09 -44.34 69.26 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 177.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.66 ' HZ2' ' ND1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER 174.2 -38.88 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 113.036 -1.893 . . . . 0.0 107.422 177.31 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.77 ' HA ' ' HB3' ' A' ' 5' ' ' LEU . 5.2 t-20 174.01 -179.82 0.1 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.79 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.746 ' HE3' ' HB2' ' A' ' 30' ' ' CYS . 40.5 t90 -53.47 -24.33 12.63 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.714 0.805 . . . . 0.0 110.845 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.648 ' OD1' ' HB3' ' A' ' 10' ' ' ASN . 2.4 m-20 -25.01 -85.23 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.427 1.491 . . . . 0.0 114.113 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.66 ' ND1' ' HZ2' ' A' ' 9' ' ' TRP . 6.0 m80 -92.64 43.4 1.13 Allowed 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.903 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.505 HG23 ' HG ' ' A' ' 15' ' ' LEU . 2.2 t -86.29 -33.29 20.69 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 119.265 -0.974 . . . . 0.0 110.112 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.505 ' HG ' HG23 ' A' ' 14' ' ' THR . 4.2 pp -175.21 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.251 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 9.6 p -66.82 -41.97 86.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.662 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.639 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -61.81 -36.51 81.32 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.428 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 21' ' ' ILE . . . -53.39 -36.49 61.49 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.599 0.562 . . . . 0.0 109.827 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.422 ' HB3' ' O ' ' A' ' 16' ' ' CYS . 78.1 t60 -63.2 -44.15 96.17 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.082 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.2 m -64.21 -33.31 75.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.558 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 18' ' ' ALA . 72.3 mt -61.61 -43.28 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.197 0.522 . . . . 0.0 109.874 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.69 -31.77 71.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 109.106 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 11.6 tpp180 -74.82 -1.78 23.71 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.481 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.645 ' HA ' ' HE ' ' A' ' 24' ' ' ARG . 3.5 mmp_? 74.64 51.19 0.09 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.713 0.768 . . . . 0.0 111.76 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.666 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 33.1 m-85 -136.3 157.45 46.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.818 178.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 10.1 ttm180 -52.15 -43.17 63.92 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 122.085 0.945 . . . . 0.0 109.266 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 159.31 -143.03 8.77 Favored Glycine 0 N--CA 1.431 -1.691 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.237 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.81 141.41 9.43 Favored Glycine 0 N--CA 1.434 -1.483 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.479 ' HA ' ' ND2' ' A' ' 12' ' ' ASN . 34.6 p90 -108.54 140.62 41.63 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.746 ' HB2' ' HE3' ' A' ' 11' ' ' TRP . 2.2 t -66.0 110.21 2.84 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -61.81 -70.66 0.18 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.98 0.419 . . . . 0.0 110.549 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.681 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 23.6 t -176.4 -46.83 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -87.76 31.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.263 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.57 34.71 17.68 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.567 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -97.12 121.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.477 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.628 ' HB2' ' CH2' ' A' ' 11' ' ' TRP . 7.8 t -92.97 82.21 4.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.966 0.412 . . . . 0.0 110.095 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.421 ' HB ' ' CE1' ' A' ' 29' ' ' TYR . 25.2 t -71.35 115.11 10.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.366 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 74.7 m -68.92 131.53 45.24 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.496 ' O ' ' HB3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -130.98 138.93 49.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.617 -179.308 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.666 ' HB2' ' HA ' ' A' ' 25' ' ' TYR . 12.3 t-20 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.029 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.607 ' HB3' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.82 0.343 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 5.3 m -63.46 94.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.982 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.1 p -177.84 -40.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.943 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.947 ' HB3' ' HB3' ' A' ' 10' ' ' ASN . 10.9 t70 -176.79 -45.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.013 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 1' ' ' ALA . 45.0 tp 61.64 45.53 7.97 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.926 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.8 -42.35 58.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.457 0.646 . . . . 0.0 110.129 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 50.1 m -152.51 87.31 1.3 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.774 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 7' ' ' SER . 2.8 mppt? 74.52 -52.23 0.68 Allowed 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.802 0.841 . . . . 0.0 109.387 -177.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -171.0 100.49 0.21 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.281 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.947 ' HB3' ' HB3' ' A' ' 4' ' ' ASP . 49.7 t30 -65.39 162.19 18.21 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.515 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 23.0 t90 68.4 -114.54 0.14 Allowed 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 105.568 -2.012 . . . . 0.0 105.568 -177.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.465 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 19.5 t-20 49.55 -99.79 0.07 Allowed 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 176.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.742 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 2.8 m-70 -57.28 -22.36 41.03 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 124.18 0.992 . . . . 0.0 111.931 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.551 HG22 HD23 ' A' ' 15' ' ' LEU . 89.5 m -40.43 -48.5 2.76 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -177.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.551 HD23 HG22 ' A' ' 14' ' ' THR . 2.3 pp -166.48 -36.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.864 0.364 . . . . 0.0 110.724 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.0 t -62.07 -50.35 72.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.432 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.742 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -69.07 -29.16 67.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.197 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' HA ' HD12 ' A' ' 21' ' ' ILE . . . -52.41 -35.25 51.49 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.2 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -62.13 -45.81 91.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.217 0.532 . . . . 0.0 110.093 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . 74.9 m -67.87 -34.44 76.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.666 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 17' ' ' ALA . 63.5 mt -62.1 -44.15 98.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.939 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.82 75.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.969 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.518 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 15.4 tpt180 -65.58 -59.94 3.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.868 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.518 ' HB3' ' O ' ' A' ' 23' ' ' ARG . 9.1 ptm180 164.05 -17.47 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.952 0.783 . . . . 0.0 110.85 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.488 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 71.4 m-85 -76.8 163.83 26.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.34 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.572 ' CB ' ' HA ' ' A' ' 40' ' ' ASN . 51.2 ttt180 -62.42 -42.73 99.66 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.606 0.717 . . . . 0.0 109.235 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.557 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 168.64 -120.72 0.9 Allowed Glycine 0 N--CA 1.432 -1.581 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -168.58 129.77 1.95 Allowed Glycine 0 N--CA 1.438 -1.233 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -65.93 163.34 17.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.689 0.281 . . . . 0.0 110.813 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 2' ' ' THR . 89.6 m -78.71 102.26 7.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.112 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.612 ' HB3' ' H ' ' A' ' 35' ' ' VAL . 24.0 t-20 -71.36 154.81 41.3 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 178.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.448 ' HA ' HG21 ' A' ' 2' ' ' THR . 49.7 m -55.61 -38.5 69.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.351 0.596 . . . . 0.0 110.189 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.487 ' HG3' HG23 ' A' ' 35' ' ' VAL . 17.4 ptpt -86.93 26.74 1.1 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.02 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 54.12 46.83 24.58 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.612 ' H ' ' HB3' ' A' ' 31' ' ' ASN . 91.4 t -116.64 132.84 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.381 179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.2 p -90.4 82.65 5.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.06 0.457 . . . . 0.0 110.629 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.43 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 39.7 t -67.23 117.03 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.8 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 86.8 m -50.89 121.57 6.17 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 123.547 0.529 . . . . 0.0 111.323 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -160.09 150.49 18.6 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.821 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.572 ' HA ' ' CB ' ' A' ' 26' ' ' ARG . 49.6 t30 . . . . . 0 C--N 1.308 -1.21 0 CA-C-O 118.503 -0.761 . . . . 0.0 109.567 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.866 ' HB3' HD23 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.94 0.4 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.48 -166.59 1.26 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.118 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 10' ' ' ASN . 3.2 m 61.28 35.11 18.31 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.76 177.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 60.66 56.17 3.1 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.866 HD23 ' HB3' ' A' ' 1' ' ' ALA . 0.3 OUTLIER -38.3 79.06 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.685 ' H ' ' HB2' ' A' ' 10' ' ' ASN . . . -64.25 -48.67 74.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.3 p -103.13 -124.95 0.2 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -69.54 -40.15 77.05 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 176.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.602 ' HB3' ' HB1' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -166.26 114.25 0.9 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 113.358 -1.747 . . . . 0.0 107.789 177.286 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.817 ' H ' ' HA ' ' A' ' 5' ' ' LEU . 34.9 t30 -53.71 145.02 16.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.093 -178.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.456 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 23.5 t90 68.01 -118.18 0.19 Allowed 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 -178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.427 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 12.8 t-20 57.5 -116.18 0.92 Allowed 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 120.958 0.409 . . . . 0.0 111.711 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.828 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 10.2 p-80 -61.83 4.43 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -178.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.431 ' HB ' HD23 ' A' ' 15' ' ' LEU . 37.7 m -61.9 -36.38 81.14 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.318 0.58 . . . . 0.0 109.596 178.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.431 HD23 ' HB ' ' A' ' 14' ' ' THR . 1.4 pt? -165.73 -36.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.286 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 17' ' ' ALA . 8.1 p -67.36 -50.83 58.22 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.086 -0.245 . . . . 0.0 111.598 -178.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.828 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -71.98 -25.53 61.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.786 0.327 . . . . 0.0 110.651 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.23 -35.16 69.35 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.332 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.34 -43.77 98.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.669 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.6 m -66.83 -43.41 83.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.369 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.517 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 76.5 mt -55.86 -41.27 66.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.264 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.21 -37.72 88.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.76 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -81.7 18.03 1.34 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.46 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.8 mtt-85 69.63 45.43 0.79 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.512 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.591 ' HA ' ' OD1' ' A' ' 40' ' ' ASN . 34.3 m-85 -121.81 155.78 34.62 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.619 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 9.9 ttm-85 -58.04 -40.71 81.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.97 0.89 . . . . 0.0 109.563 178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.62 -132.5 2.93 Favored Glycine 0 N--CA 1.434 -1.442 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -168.82 130.45 2.07 Favored Glycine 0 N--CA 1.436 -1.301 0 C-N-CA 120.313 -0.946 . . . . 0.0 111.585 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -70.88 140.58 51.11 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 p -90.68 130.21 36.7 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.377 0.608 . . . . 0.0 110.081 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.557 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 4.1 m120 -85.76 149.37 25.32 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.091 179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -56.2 -28.57 58.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.977 0.418 . . . . 0.0 110.534 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -85.63 20.16 2.2 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.672 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 63.53 54.63 1.88 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.213 0.53 . . . . 0.0 111.844 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.557 ' HB ' ' HB2' ' A' ' 31' ' ' ASN . 22.0 t -128.47 144.17 38.77 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.68 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 68.1 m -126.99 110.95 13.52 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.202 0.525 . . . . 0.0 111.509 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.8 t -99.42 126.95 52.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.001 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 72.3 m -58.88 137.34 57.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.283 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.619 ' O ' ' HB3' ' A' ' 26' ' ' ARG . 9.8 ptm180 -146.18 142.49 28.48 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.591 ' OD1' ' HA ' ' A' ' 25' ' ' TYR . 55.2 m-20 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.049 -0.976 . . . . 0.0 110.062 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.585 ' HB1' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.338 0.59 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.446 ' HB ' ' HA ' ' A' ' 32' ' ' SER . 1.7 m -98.96 50.79 0.96 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.462 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.877 ' SG ' ' HA ' ' A' ' 34' ' ' ALA . 65.8 m -140.56 97.09 3.14 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.505 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.54 -42.44 0.44 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.025 0.93 . . . . 0.0 112.987 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 18.5 tp 66.12 25.39 10.78 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.293 0.637 . . . . 0.0 111.113 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.48 77.73 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 p -107.19 -53.41 2.62 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.585 ' O ' ' HB1' ' A' ' 1' ' ' ALA . 43.2 pttt -174.11 -45.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.724 -1.58 . . . . 0.0 108.247 177.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.46 ' HB3' ' HA ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -136.99 34.68 2.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.51 0.672 . . . . 0.0 110.119 177.708 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.618 ' HB3' ' HE3' ' A' ' 11' ' ' TRP . 26.4 t30 51.12 -125.15 2.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.14 -1.391 . . . . 0.0 112.671 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.618 ' HE3' ' HB3' ' A' ' 10' ' ' ASN . 2.5 p90 -63.91 -61.05 2.53 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -177.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 19.6 t-20 51.65 -94.3 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.925 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 64.5 m80 -67.85 -10.08 49.99 Favored 'General case' 0 CA--C 1.51 -0.569 0 C-N-CA 123.094 0.558 . . . . 0.0 111.855 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.5 m -53.86 -36.59 62.78 Favored 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 123.434 0.459 . . . . 0.0 111.502 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -165.47 -34.3 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.592 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.5 t -67.24 -52.58 39.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.745 0.307 . . . . 0.0 111.3 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.925 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -68.87 -23.25 64.19 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.388 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.51 -35.59 70.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.091 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -63.24 -38.95 93.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.141 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 25' ' ' TYR . 40.8 m -72.01 -44.27 63.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.568 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.4 mt -65.14 -38.09 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.996 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.28 68.32 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.489 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.12 -86.85 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.1 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -172.61 36.4 0.01 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.031 0.443 . . . . 0.0 111.189 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' HB2' ' HB3' ' A' ' 20' ' ' CYS . 52.0 m-85 -108.82 172.01 7.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.512 ' H ' ' HA ' ' A' ' 40' ' ' ASN . 25.1 ttm180 -71.6 -44.26 64.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.156 0.979 . . . . 0.0 108.523 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.75 -136.81 4.18 Favored Glycine 0 N--CA 1.432 -1.574 0 CA-C-N 113.806 -1.543 . . . . 0.0 109.547 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.636 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -154.66 95.34 0.15 Allowed Glycine 0 N--CA 1.438 -1.215 0 C-N-CA 120.215 -0.993 . . . . 0.0 111.599 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.6 p90 -60.47 133.3 55.96 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.3 t -76.53 119.23 20.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.388 -177.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.9 p30 -85.64 -167.31 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.936 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.446 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 32.4 t -70.43 -28.19 64.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.66 0.267 . . . . 0.0 111.654 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -83.78 10.44 9.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.708 -0.223 . . . . 0.0 111.542 -179.52 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.877 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . . . 59.97 42.19 16.43 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.222 0.534 . . . . 0.0 111.478 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.9 t -123.63 139.41 50.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.978 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.435 ' HB2' ' HA3' ' A' ' 28' ' ' GLY . 25.0 p -83.45 119.99 25.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.006 0.431 . . . . 0.0 110.14 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.636 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 22.9 t -88.41 109.03 19.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.199 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.8 m -64.74 117.95 8.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.629 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -167.08 148.41 5.83 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.94 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.512 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 18.7 p30 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.757 -0.639 . . . . 0.0 109.458 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' HB1' ' SG ' ' A' ' 3' ' ' CYS . . . . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.898 0.38 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.575 HG21 ' HA ' ' A' ' 32' ' ' SER . 6.1 m -66.52 -23.49 66.24 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.788 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.47 ' C ' ' H ' ' A' ' 5' ' ' LEU . 1.4 p -71.82 61.94 0.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.3 t70 69.12 -24.56 0.14 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.47 ' H ' ' C ' ' A' ' 3' ' ' CYS . 34.2 tp 69.62 32.73 3.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.531 0.681 . . . . 0.0 109.97 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.723 ' HB3' ' HA ' ' A' ' 10' ' ' ASN . . . -67.41 113.82 5.59 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.5 m 68.31 -66.84 0.21 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 124.0 0.812 . . . . 0.0 110.652 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 7.9 mtpm? -140.83 -55.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 178.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.472 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -152.85 46.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.598 178.522 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.723 ' HA ' ' HB3' ' A' ' 6' ' ' ALA . 0.5 OUTLIER 60.57 -136.21 0.66 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.496 179.479 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.496 ' HE3' ' H ' ' A' ' 11' ' ' TRP . 0.8 OUTLIER -64.28 -49.1 73.14 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.725 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.489 HD21 ' HA ' ' A' ' 29' ' ' TYR . 13.7 t-20 44.05 -103.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.648 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 5.4 p-80 -75.76 21.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -177.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 11' ' ' TRP . 11.2 p -76.85 -34.53 57.83 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 121.511 0.672 . . . . 0.0 109.22 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 pp -160.92 -44.15 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.106 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 5.9 t -64.99 -55.68 17.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.71 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.648 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -77.4 -34.3 54.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.531 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 13' ' ' HIS . . . -52.93 -44.64 67.17 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.731 -179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -56.99 -42.56 80.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.012 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.7 m -72.39 -35.9 68.55 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.549 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 17' ' ' ALA . 67.2 mt -63.88 -45.96 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.29 0.567 . . . . 0.0 109.536 178.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.87 74.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.637 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.521 ' HA ' ' NE ' ' A' ' 23' ' ' ARG . 4.4 mmp_? -68.59 -81.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.152 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.23 48.91 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.476 0.655 . . . . 0.0 110.782 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 75.1 m-85 -136.27 170.23 16.37 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.696 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -73.51 -27.36 61.33 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 119.186 -1.005 . . . . 0.0 109.536 179.597 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.544 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 155.64 -136.31 5.01 Favored Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.692 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -156.54 72.13 0.25 Allowed Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 121.046 -0.597 . . . . 0.0 111.793 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.489 ' HA ' HD21 ' A' ' 12' ' ' ASN . 47.2 p90 -62.28 138.47 58.43 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 125.61 28.41 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.568 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.511 HD21 ' HG2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -75.75 -165.0 0.4 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.727 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.575 ' HA ' HG21 ' A' ' 2' ' ' THR . 2.8 m -75.23 40.2 0.16 Allowed 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.554 ' NZ ' ' HB3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -175.3 40.66 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 179.103 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 67.53 -39.33 0.37 Allowed 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -48.21 127.44 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 117.93 19.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.162 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.446 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 61.4 t -93.79 106.48 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.1 0.476 . . . . 0.0 110.294 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 72.5 m -87.45 125.72 34.46 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.374 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.696 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 35.3 ptt180 -172.24 -173.4 1.08 Allowed 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.937 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 . . . . . 0 C--N 1.306 -1.324 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.483 179.719 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.451 ' HB1' ' HA ' ' A' ' 9' ' ' TRP . . . . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.445 0.164 . . . . 0.0 110.68 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.483 ' HB ' ' O ' ' A' ' 30' ' ' CYS . 1.2 m 50.63 47.74 23.81 Favored 'General case' 0 CA--C 1.532 0.278 0 O-C-N 123.751 0.657 . . . . 0.0 111.191 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.612 ' O ' ' HB2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -158.32 44.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.255 -178.824 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.2 t70 77.43 -29.56 0.17 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.479 0.712 . . . . 0.0 111.529 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 33.3 tp 71.66 44.71 0.49 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.467 0.707 . . . . 0.0 111.783 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.07 -44.2 76.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.128 0.49 . . . . 0.0 109.957 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.8 m -163.65 103.47 0.92 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt 71.85 -56.58 0.64 Allowed 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.788 0.68 . . . . 0.0 109.667 -177.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.451 ' HA ' ' HB1' ' A' ' 1' ' ' ALA . 6.1 m95 -137.49 -69.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.719 HD22 ' HE3' ' A' ' 11' ' ' TRP . 55.3 t30 -175.76 -55.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.066 177.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.719 ' HE3' HD22 ' A' ' 10' ' ' ASN . 9.6 p90 -141.05 -49.35 0.42 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 177.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.513 ' OD1' ' HB2' ' A' ' 17' ' ' ALA . 9.8 t-20 41.43 -90.45 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 176.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.808 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 40.3 m80 -74.97 11.92 0.99 Allowed 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.49 ' HB ' ' HD1' ' A' ' 11' ' ' TRP . 97.9 m -64.26 -34.34 77.88 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.065 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.498 ' HG ' ' N ' ' A' ' 16' ' ' CYS . 1.4 pt? -167.93 -40.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.066 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.498 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 77.0 m -60.82 -57.4 12.83 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.808 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -58.18 -40.48 81.59 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.476 -178.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.2 -41.17 78.87 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.166 0.508 . . . . 0.0 110.393 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -59.86 -41.12 90.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.956 178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -70.66 -40.96 72.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.363 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 25' ' ' TYR . 80.3 mt -56.73 -37.39 52.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 120.951 0.405 . . . . 0.0 110.828 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.56 -33.12 74.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.232 0.539 . . . . 0.0 109.934 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.512 ' O ' ' HB3' ' A' ' 24' ' ' ARG . 75.8 mtp180 -86.03 24.94 1.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.618 179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 23' ' ' ARG . 41.5 ttt85 75.75 -21.73 0.3 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.528 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 13.0 m-85 -57.19 150.01 18.53 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 122.062 0.145 . . . . 0.0 110.847 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.506 ' HB3' ' O ' ' A' ' 40' ' ' ASN . 12.8 ptp180 -61.02 -35.12 76.03 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.388 0.613 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 161.01 -132.09 2.78 Favored Glycine 0 N--CA 1.434 -1.44 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.58 154.53 21.51 Favored Glycine 0 N--CA 1.439 -1.166 0 C-N-CA 120.573 -0.823 . . . . 0.0 112.259 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.502 ' CD1' ' HB3' ' A' ' 39' ' ' ARG . 42.4 p90 -131.13 136.15 48.1 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.583 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 14.9 m -82.67 123.01 28.87 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.606 -179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' A' ' 33' ' ' LYS . 31.7 m-20 -79.14 -178.76 6.33 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 177.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.4 m -72.29 35.96 0.07 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.083 0.468 . . . . 0.0 111.633 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' H ' ' C ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -149.98 18.1 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.78 179.286 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 54.49 54.16 9.74 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.139 0.495 . . . . 0.0 111.087 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 58.7 t -119.17 129.91 74.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.818 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 16' ' ' CYS . 5.0 p -80.57 78.43 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.704 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.5 t -87.32 131.73 34.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.718 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 65.7 m -69.2 141.99 54.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.294 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.502 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 12.0 ptm180 -145.89 134.33 21.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.093 0.473 . . . . 0.0 110.371 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.506 ' O ' ' HB3' ' A' ' 26' ' ' ARG . 59.3 m-80 . . . . . 0 C--N 1.316 -0.866 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.204 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 120.929 0.395 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.3 m -77.24 47.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 110.197 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HB3' ' CZ3' ' A' ' 11' ' ' TRP . 1.6 m -92.95 -35.54 13.25 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.343 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -173.25 -35.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.69 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.2 tp -149.47 -82.59 0.11 Allowed 'General case' 0 C--O 1.234 0.256 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.738 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -175.83 -89.54 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 9' ' ' TRP . 13.5 m 53.79 33.96 18.09 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.449 0.468 . . . . 0.0 110.695 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 33.9 mmtp 74.88 -51.44 0.67 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 -175.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.42 ' CD1' ' O ' ' A' ' 8' ' ' LYS . 4.1 m0 -157.54 113.39 2.84 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 126.425 1.89 . . . . 0.0 106.298 176.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.675 HD22 ' HE3' ' A' ' 11' ' ' TRP . 2.3 t30 -44.88 -54.05 6.88 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.512 -175.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.675 ' HE3' HD22 ' A' ' 10' ' ' ASN . 12.2 p90 -152.11 -54.07 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 m120 46.32 -93.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.843 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 68.2 m80 -72.42 7.56 1.76 Allowed 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.602 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.1 m -60.76 -48.12 83.24 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.144 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -152.94 -43.64 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.249 179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 t -58.83 -57.79 11.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.356 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.843 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -70.8 -17.86 62.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.67 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.27 92.25 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -61.71 -37.39 84.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.772 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.8 m -64.18 -41.16 97.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.751 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.837 HD11 ' HD2' ' A' ' 13' ' ' HIS . 68.2 mt -63.54 -41.53 92.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.993 179.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.4 -42.46 82.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.11 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -66.57 -79.3 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.94 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ppt_? 176.27 43.24 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.019 0.438 . . . . 0.0 111.006 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -128.37 165.09 21.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.432 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 5.5 ptp180 -66.53 -32.36 73.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 122.182 0.991 . . . . 0.0 109.73 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.651 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 155.83 -125.99 1.74 Allowed Glycine 0 N--CA 1.428 -1.839 0 N-CA-C 108.52 -1.832 . . . . 0.0 108.52 -178.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -174.87 124.3 1.0 Allowed Glycine 0 N--CA 1.433 -1.535 0 C-N-CA 119.831 -1.176 . . . . 0.0 112.823 178.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -81.28 149.66 28.88 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 34' ' ' ALA . 34.6 m -72.23 129.43 38.41 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.399 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.475 ' OD1' ' HG2' ' A' ' 33' ' ' LYS . 24.0 p30 -86.18 -154.99 0.23 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 m -64.35 -35.42 80.82 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HG2' ' OD1' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -99.3 30.8 3.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.73 0.3 . . . . 0.0 111.612 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . . . 57.2 19.09 4.62 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.442 ' HB ' HD21 ' A' ' 31' ' ' ASN . 47.7 t -90.68 136.87 22.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.8 p -72.71 127.26 32.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.963 0.411 . . . . 0.0 110.636 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.432 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 48.5 t -95.12 101.59 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.686 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.651 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 42.1 m -64.02 117.61 7.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.589 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.584 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 2.2 ptp180 -173.81 148.92 1.5 Allowed 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.994 0.426 . . . . 0.0 110.437 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.15 179.233 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.081 0 CA-C-O 120.771 0.319 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 46.2 m -75.03 -105.54 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.77 ' SG ' ' HB3' ' A' ' 11' ' ' TRP . 4.6 p 35.51 -110.78 0.06 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 177.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 24.7 t70 -55.43 -80.68 0.02 OUTLIER 'General case' 0 C--O 1.234 0.283 0 C-N-CA 123.017 0.527 . . . . 0.0 111.307 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 35.1 tp 172.05 -91.49 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -168.93 43.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.409 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 m -64.44 -92.89 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.483 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -73.64 -30.4 62.92 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.883 ' HE1' ' HB2' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -170.32 -31.06 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 113.632 -1.622 . . . . 0.0 106.795 179.033 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.526 HD21 ' ND2' ' A' ' 12' ' ' ASN . 8.0 p-10 146.34 -151.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 127.099 2.16 . . . . 0.0 106.483 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.77 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . 24.3 t90 -74.95 -117.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.883 ' HB2' ' HE1' ' A' ' 9' ' ' TRP . 78.5 m-20 58.05 -100.03 0.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.312 0.506 . . . . 0.0 111.582 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.466 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 21.5 m-70 -64.39 -1.53 1.76 Allowed 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.577 ' HB ' ' HD1' ' A' ' 11' ' ' TRP . 59.8 m -53.36 -50.92 64.05 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.966 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 14' ' ' THR . 63.8 mt -161.05 -46.88 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.134 0.492 . . . . 0.0 110.248 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.0 t -56.91 -51.53 68.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.01 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.566 ' O ' HG13 ' A' ' 21' ' ' ILE . . . -69.57 -39.11 77.54 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.97 -46.39 61.19 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.522 0.514 . . . . 0.0 111.268 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 23' ' ' ARG . 64.9 t60 -58.45 -47.93 82.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.731 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 71.9 m -70.7 -32.57 69.83 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.124 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 17' ' ' ALA . 69.4 mt -60.24 -41.24 86.2 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 121.273 0.559 . . . . 0.0 109.501 178.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.92 -27.63 68.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.548 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 19' ' ' HIS . 31.0 mmm180 -80.67 14.46 2.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.881 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 75.16 25.99 1.27 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.946 0.898 . . . . 0.0 111.986 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.492 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 4.1 m-85 -106.42 164.99 11.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.453 ' H ' ' HA ' ' A' ' 40' ' ' ASN . 38.3 ttm-85 -62.76 -41.9 99.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.713 0.768 . . . . 0.0 108.95 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.63 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 158.04 -122.48 1.16 Allowed Glycine 0 N--CA 1.438 -1.213 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.789 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -173.15 96.81 0.11 Allowed Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.749 ' HA ' ' OD1' ' A' ' 12' ' ' ASN . 21.9 p90 -73.93 145.9 44.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.894 0.378 . . . . 0.0 111.917 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.612 ' SG ' ' HE3' ' A' ' 11' ' ' TRP . 18.9 m -68.24 117.34 9.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.419 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.429 HD21 ' HB ' ' A' ' 35' ' ' VAL . 34.3 p30 -92.37 -164.61 1.2 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.916 -0.714 . . . . 0.0 109.589 177.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t -69.82 -36.22 75.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.912 0.387 . . . . 0.0 111.332 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -81.61 15.13 2.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.78 -179.515 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 57.91 38.2 26.96 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.158 0.504 . . . . 0.0 111.179 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.429 ' HB ' HD21 ' A' ' 31' ' ' ASN . 83.7 t -116.53 138.29 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.354 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.2 p -79.94 114.21 18.68 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.478 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 47.3 t -81.07 94.27 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.037 0.446 . . . . 0.0 110.013 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 71.5 m -74.14 123.57 24.69 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.276 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ptm85 -160.88 144.19 13.15 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.227 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.453 ' HA ' ' H ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.344 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.406 ' HB3' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.891 0.377 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.1 m -54.97 -21.66 12.56 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.006 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' A' ' 34' ' ' ALA . 54.5 m -48.52 -47.82 38.72 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.741 0.416 . . . . 0.0 111.181 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.512 ' HB3' ' OD1' ' A' ' 10' ' ' ASN . 31.7 t70 171.4 -32.2 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.675 0.609 . . . . 0.0 110.063 178.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 9' ' ' TRP . 35.8 tp 72.94 43.06 0.43 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.001 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 7' ' ' SER . . . -87.3 28.38 0.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.361 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 13.8 t 174.72 -140.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.512 ' HB3' ' CD1' ' A' ' 9' ' ' TRP . 18.0 tptt -62.83 -42.8 99.88 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.699 ' HB2' ' OD1' ' A' ' 12' ' ' ASN . 3.3 m95 -136.97 -49.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 177.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.59 HD22 ' HE3' ' A' ' 11' ' ' TRP . 3.6 t30 173.28 -60.1 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.54 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.687 ' HE1' ' HB2' ' A' ' 16' ' ' CYS . 16.9 p90 -149.55 -53.73 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.699 ' OD1' ' HB2' ' A' ' 9' ' ' TRP . 4.9 m120 42.57 -96.49 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 176.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.81 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 48.2 m80 -57.04 -13.21 2.6 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.861 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 97.3 m -53.82 -39.68 65.76 Favored 'General case' 0 N--CA 1.442 -0.838 0 O-C-N 123.35 0.406 . . . . 0.0 111.016 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 pp -168.09 -37.79 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.836 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.687 ' HB2' ' HE1' ' A' ' 11' ' ' TRP . 5.2 t -62.28 -49.99 73.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.15 0.5 . . . . 0.0 110.878 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.81 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -74.31 -18.53 60.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.816 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.29 -41.96 76.75 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.07 0.462 . . . . 0.0 110.048 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -60.72 -40.72 93.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.147 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.4 m -66.43 -45.48 79.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.778 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.502 HD11 ' HD2' ' A' ' 13' ' ' HIS . 52.8 mt -59.09 -43.66 89.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 110.49 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.94 76.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.345 0.593 . . . . 0.0 110.212 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -85.02 18.15 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.722 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 67.84 62.38 0.41 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 122.953 0.501 . . . . 0.0 111.678 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 21' ' ' ILE . 83.1 m-85 -145.5 166.44 25.67 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -73.5 -34.87 65.49 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.996 0.903 . . . . 0.0 108.862 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.59 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 160.14 -137.34 4.99 Favored Glycine 0 N--CA 1.433 -1.55 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' A' ' 37' ' ' VAL . . . -152.19 124.09 1.58 Allowed Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.233 -0.984 . . . . 0.0 111.738 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -78.33 147.6 34.14 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.608 ' SG ' ' HA ' ' A' ' 34' ' ' ALA . 36.0 t -79.2 136.03 36.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.573 0.225 . . . . 0.0 110.397 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.435 ' ND2' ' HB ' ' A' ' 35' ' ' VAL . 52.9 p30 -104.09 -159.28 0.71 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.3 m -68.21 -25.64 65.32 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.616 ' HG3' HG23 ' A' ' 35' ' ' VAL . 3.1 ptpp? -109.73 27.87 9.14 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.685 ' HB1' ' HH2' ' A' ' 11' ' ' TRP . . . 57.95 25.85 12.7 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 178.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.616 HG23 ' HG3' ' A' ' 33' ' ' LYS . 74.3 t -91.76 125.26 44.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.5 p -81.31 98.73 8.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.146 0.498 . . . . 0.0 110.318 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.525 ' O ' ' HA2' ' A' ' 28' ' ' GLY . 38.5 t -76.44 113.75 15.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.108 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 67.9 m -60.27 128.89 38.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.056 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -155.21 149.24 25.72 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.711 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 p30 . . . . . 0 C--O 1.255 1.343 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.759 179.439 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.766 ' HB3' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 121.154 0.502 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.577 ' HB ' ' O ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -85.01 -144.59 0.09 Allowed 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 179.158 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.413 ' H ' HG22 ' A' ' 2' ' ' THR . 97.5 m 54.17 45.53 27.21 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 110.946 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.8 t70 73.27 -15.69 0.53 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.658 0.783 . . . . 0.0 112.635 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.766 HD13 ' HB3' ' A' ' 1' ' ' ALA . 16.7 tp 56.42 36.62 27.83 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.301 0.572 . . . . 0.0 110.732 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.33 -33.16 74.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.655 0.741 . . . . 0.0 109.515 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.9 m -152.93 -157.19 0.77 Allowed 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' C ' ' CD1' ' A' ' 9' ' ' TRP . 54.9 mtmt -65.95 94.74 0.24 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.969 ' HB2' ' HB2' ' A' ' 12' ' ' ASN . 0.6 OUTLIER 55.13 32.81 19.11 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -177.404 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.691 HD22 ' HE3' ' A' ' 11' ' ' TRP . 57.5 t30 62.95 -109.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 113.428 -1.715 . . . . 0.0 110.123 -177.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.691 ' HE3' HD22 ' A' ' 10' ' ' ASN . 6.5 p90 -77.7 -52.85 8.29 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.197 -0.601 . . . . 0.0 109.412 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.969 ' HB2' ' HB2' ' A' ' 9' ' ' TRP . 63.3 t30 44.97 -104.14 0.08 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 177.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.814 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 15.1 p-80 -54.57 -18.06 3.98 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 124.585 1.154 . . . . 0.0 111.921 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.57 HG22 ' HG ' ' A' ' 15' ' ' LEU . 90.6 m -53.93 -43.52 69.84 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.556 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.57 ' HG ' HG22 ' A' ' 14' ' ' THR . 90.9 mt -147.97 -59.15 0.25 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.71 -48.8 80.16 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.814 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -70.24 -32.3 70.1 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.432 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.43 -38.66 77.92 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.891 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -59.28 -40.49 86.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.56 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.7 m -69.64 -41.54 75.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.449 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 17' ' ' ALA . 82.9 mt -57.09 -41.25 77.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.081 0.467 . . . . 0.0 110.049 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.4 -35.91 82.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.397 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.4 mtt-85 -81.01 18.47 1.02 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.633 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 65.45 30.57 10.77 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 122.961 0.505 . . . . 0.0 111.918 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -105.94 158.42 16.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -62.01 -43.15 99.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.866 0.841 . . . . 0.0 108.859 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 162.0 -132.88 2.94 Favored Glycine 0 N--CA 1.436 -1.36 0 N-CA-C 109.196 -1.561 . . . . 0.0 109.196 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.42 132.2 2.54 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.37 -0.919 . . . . 0.0 111.222 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.546 ' O ' ' HA ' ' A' ' 36' ' ' CYS . 0.4 OUTLIER -69.22 131.0 44.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.073 0.463 . . . . 0.0 110.958 -179.269 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.643 ' H ' ' HE3' ' A' ' 9' ' ' TRP . 4.2 t -85.67 92.55 8.6 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.438 -179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.716 ' HB2' ' HB ' ' A' ' 35' ' ' VAL . 3.0 m120 -71.63 164.42 25.93 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.5 m -47.94 -43.72 29.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 11.8 mptt -88.09 31.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.698 0.259 . . . . 0.0 111.698 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 56.54 35.5 26.12 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.206 0.527 . . . . 0.0 111.31 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.736 HG12 HG23 ' A' ' 37' ' ' VAL . 3.5 t -83.28 60.37 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.775 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 1.2 p -70.83 70.13 0.48 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.863 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.736 HG23 HG12 ' A' ' 35' ' ' VAL . 94.1 t -76.49 128.41 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.348 -179.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 74.5 m -58.46 129.98 44.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.61 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 39' ' ' ARG . 5.9 ppt_? -150.22 145.94 26.53 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.582 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 . . . . . 0 C--N 1.313 -1.01 0 CA-C-O 118.424 -0.798 . . . . 0.0 108.875 179.521 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 121.108 0.48 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.681 ' HB ' ' HA ' ' A' ' 32' ' ' SER . 7.0 m -92.89 -123.52 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 4' ' ' ASP . 74.1 m 53.97 -117.1 1.13 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 118.801 0.728 . . . . 0.0 109.557 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' A' ' 3' ' ' CYS . 45.3 t0 174.29 73.5 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.092 0.245 . . . . 0.0 111.456 178.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.77 ' HB3' ' HA ' ' A' ' 10' ' ' ASN . 25.1 tp -133.21 -70.88 0.53 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 119.644 -0.822 . . . . 0.0 112.092 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' H ' ' HA ' ' A' ' 10' ' ' ASN . . . 68.32 -30.55 0.18 Allowed 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.2 m -47.24 -71.53 0.07 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 117.916 0.326 . . . . 0.0 111.05 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.09 -44.34 69.26 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 177.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.66 ' HZ2' ' ND1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER 174.2 -38.88 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 113.036 -1.893 . . . . 0.0 107.422 177.31 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.77 ' HA ' ' HB3' ' A' ' 5' ' ' LEU . 5.2 t-20 174.01 -179.82 0.1 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.79 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.746 ' HE3' ' HB2' ' A' ' 30' ' ' CYS . 40.5 t90 -53.47 -24.33 12.63 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 123.714 0.805 . . . . 0.0 110.845 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.648 ' OD1' ' HB3' ' A' ' 10' ' ' ASN . 2.4 m-20 -25.01 -85.23 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 125.427 1.491 . . . . 0.0 114.113 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.66 ' ND1' ' HZ2' ' A' ' 9' ' ' TRP . 6.0 m80 -92.64 43.4 1.13 Allowed 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 120.211 -0.596 . . . . 0.0 111.903 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.505 HG23 ' HG ' ' A' ' 15' ' ' LEU . 2.2 t -86.29 -33.29 20.69 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 119.265 -0.974 . . . . 0.0 110.112 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.505 ' HG ' HG23 ' A' ' 14' ' ' THR . 4.2 pp -175.21 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.251 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 19' ' ' HIS . 9.6 p -66.82 -41.97 86.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.662 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.639 ' HB3' ' HA ' ' A' ' 13' ' ' HIS . . . -61.81 -36.51 81.32 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.428 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 21' ' ' ILE . . . -53.39 -36.49 61.49 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.599 0.562 . . . . 0.0 109.827 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.422 ' HB3' ' O ' ' A' ' 16' ' ' CYS . 78.1 t60 -63.2 -44.15 96.17 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.082 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 78.2 m -64.21 -33.31 75.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.558 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.519 HD12 ' HA ' ' A' ' 18' ' ' ALA . 72.3 mt -61.61 -43.28 96.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.197 0.522 . . . . 0.0 109.874 179.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.69 -31.77 71.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 109.106 177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 11.6 tpp180 -74.82 -1.78 23.71 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.481 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.645 ' HA ' ' HE ' ' A' ' 24' ' ' ARG . 3.5 mmp_? 74.64 51.19 0.09 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.713 0.768 . . . . 0.0 111.76 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.666 ' HA ' ' HB2' ' A' ' 40' ' ' ASN . 33.1 m-85 -136.3 157.45 46.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.818 178.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 39' ' ' ARG . 10.1 ttm180 -52.15 -43.17 63.92 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 122.085 0.945 . . . . 0.0 109.266 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 38' ' ' CYS . . . 159.31 -143.03 8.77 Favored Glycine 0 N--CA 1.431 -1.691 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.237 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -146.81 141.41 9.43 Favored Glycine 0 N--CA 1.434 -1.483 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.479 ' HA ' ' ND2' ' A' ' 12' ' ' ASN . 34.6 p90 -108.54 140.62 41.63 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.746 ' HB2' ' HE3' ' A' ' 11' ' ' TRP . 2.2 t -66.0 110.21 2.84 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -61.81 -70.66 0.18 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.98 0.419 . . . . 0.0 110.549 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.681 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 23.6 t -176.4 -46.83 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -87.76 31.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.263 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 61.57 34.71 17.68 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.567 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -97.12 121.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.477 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.628 ' HB2' ' CH2' ' A' ' 11' ' ' TRP . 7.8 t -92.97 82.21 4.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.966 0.412 . . . . 0.0 110.095 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.421 ' HB ' ' CE1' ' A' ' 29' ' ' TYR . 25.2 t -71.35 115.11 10.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.366 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 74.7 m -68.92 131.53 45.24 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.496 ' O ' ' HB3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -130.98 138.93 49.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.617 -179.308 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.666 ' HB2' ' HA ' ' A' ' 25' ' ' TYR . 12.3 t-20 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.029 179.531 . . . . . . . . 1 1 . 1 stop_ save_