data_2ncj_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 2ncj _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 4' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo . . . . . 0 N--CA 1.522 3.172 0 N-CA-C 114.367 0.872 . . . . 0.0 114.367 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.0 -46.65 5.53 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 123.361 0.664 . . . . 0.0 112.184 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.0 -36.65 56.25 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 125.027 1.331 . . . . 0.0 112.432 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.27 -32.44 70.26 Favored 'General case' 0 C--N 1.378 1.836 0 C-N-CA 124.405 1.082 . . . . 0.0 111.179 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -69.0 -37.43 78.7 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 124.511 1.132 . . . . 0.0 111.507 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -72.23 -40.91 67.4 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 124.286 1.034 . . . . 0.0 110.949 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mt -58.76 -43.69 90.41 Favored 'General case' 0 C--N 1.388 2.282 0 O-C-N 124.294 0.997 . . . . 0.0 112.346 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -65.67 -39.55 91.44 Favored 'General case' 0 C--N 1.4 2.775 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.6 m -69.77 -37.29 76.34 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.991 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -61.98 -32.1 72.53 Favored 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 124.462 1.105 . . . . 0.0 111.769 175.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.4 t -75.31 -46.06 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 C-N-CA 125.336 1.455 . . . . 0.0 110.994 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.05 69.43 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 123.564 0.746 . . . . 0.0 111.54 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 12' ' ' THR . . . -65.17 -39.62 93.19 Favored 'General case' 0 N--CA 1.514 2.733 0 C-N-CA 125.715 1.606 . . . . 0.0 110.998 171.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 mt -72.42 -37.21 68.68 Favored 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 124.336 1.055 . . . . 0.0 110.9 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -60.43 -40.64 91.79 Favored 'General case' 0 N--CA 1.5 2.071 0 C-N-CA 126.922 2.089 . . . . 0.0 112.232 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.18 -29.13 63.7 Favored 'General case' 0 N--CA 1.507 2.419 0 C-N-CA 123.455 0.702 . . . . 0.0 112.786 177.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mp -81.12 -18.32 46.85 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 125.897 1.679 . . . . 0.0 112.446 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.417 HG22 ' O ' ' A' ' 21' ' ' ILE . 42.0 mt -114.74 15.24 8.07 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.476 0 C-N-CA 128.169 2.588 . . . . 0.0 107.818 177.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.0 -98.56 0.45 Allowed Glycine 0 C--N 1.361 1.925 0 CA-C-O 116.537 -2.257 . . . . 0.0 114.834 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -50.6 -14.24 1.09 Allowed 'Trans proline' 1 C--N 1.424 4.541 0 C-N-CA 124.434 3.423 . . . . 0.0 117.486 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mp -70.04 -37.52 75.6 Favored 'General case' 0 C--N 1.383 2.044 0 C-N-CA 124.755 1.222 . . . . 0.0 113.189 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.393 2.475 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -179.478 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 122.397 1.094 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -83.8 -2.46 56.39 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 112.94 -1.937 . . . . 0.0 113.788 -177.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -80.09 -30.97 39.31 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.587 0.755 . . . . 0.0 110.641 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -101.88 -2.26 30.29 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 123.992 0.917 . . . . 0.0 112.46 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.31 151.83 36.94 Favored 'General case' 0 C--N 1.382 1.997 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.49 106.7 10.38 Favored 'General case' 0 C--N 1.381 1.971 0 N-CA-C 106.301 -1.741 . . . . 0.0 106.301 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.486 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 0.1 OUTLIER 166.56 175.65 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 127.013 2.125 . . . . 0.0 108.296 -178.539 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -85.91 -41.17 15.17 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.41 81.27 0.09 OUTLIER Glycine 0 N--CA 1.509 3.56 0 N-CA-C 119.323 2.489 . . . . 0.0 119.323 172.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.35 17.84 1.53 Allowed 'General case' 0 C--N 1.372 1.544 0 CA-C-N 119.725 1.763 . . . . 0.0 106.774 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 75.5 ttt180 -157.37 153.84 27.95 Favored 'General case' 0 C--N 1.387 2.199 0 C-N-CA 126.365 1.866 . . . . 0.0 110.799 -174.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.18 -21.92 64.85 Favored 'General case' 0 N--CA 1.524 3.229 0 C-N-CA 123.894 0.878 . . . . 0.0 110.924 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.524 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -60.24 -40.44 97.35 Favored Glycine 0 C--N 1.382 3.116 0 N-CA-C 115.947 1.139 . . . . 0.0 115.947 -178.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.486 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 17.9 m-20 -77.83 -27.82 50.07 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 123.605 0.762 . . . . 0.0 112.962 -176.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -83.38 -28.1 29.16 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 114.718 -1.128 . . . . 0.0 110.231 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.6 mt -74.14 -36.45 64.13 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 124.962 1.305 . . . . 0.0 111.832 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -30.27 66.8 Favored 'General case' 0 C--N 1.371 1.543 0 C-N-CA 125.732 1.613 . . . . 0.0 111.322 176.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -81.61 -31.59 32.41 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 123.432 0.693 . . . . 0.0 109.796 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.36 -38.45 65.71 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 113.787 -1.551 . . . . 0.0 111.952 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -39.03 82.31 Favored 'General case' 0 CA--C 1.573 1.857 0 C-N-CA 124.447 1.099 . . . . 0.0 109.918 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.75 -27.17 61.87 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.903 1.681 . . . . 0.0 113.562 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.91 -31.66 40.18 Favored 'General case' 0 C--N 1.382 2.006 0 C-N-CA 123.946 0.898 . . . . 0.0 110.186 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.4 tp -71.35 -41.25 70.01 Favored 'General case' 0 C--N 1.382 2.002 0 C-N-CA 125.076 1.35 . . . . 0.0 110.065 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.4 p -71.95 -29.55 64.38 Favored 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 125.717 1.607 . . . . 0.0 113.593 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -76.87 -37.72 55.01 Favored 'General case' 0 N--CA 1.508 2.434 0 C-N-CA 123.603 0.761 . . . . 0.0 112.722 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.81 -31.96 68.88 Favored 'General case' 0 C--N 1.389 2.319 0 C-N-CA 124.753 1.221 . . . . 0.0 111.193 177.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -33.92 76.91 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 126.745 2.018 . . . . 0.0 111.785 176.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.35 -39.63 89.31 Favored 'General case' 0 C--N 1.393 2.49 0 O-C-N 124.025 0.828 . . . . 0.0 111.385 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.9 -28.01 68.62 Favored 'General case' 0 C--N 1.393 2.493 0 C-N-CA 125.093 1.357 . . . . 0.0 113.013 173.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.94 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.382 1.994 0 C-N-CA 125.564 1.546 . . . . 0.0 108.31 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -68.36 -13.47 62.3 Favored 'General case' 0 N--CA 1.507 2.385 0 C-N-CA 126.417 1.887 . . . . 0.0 112.308 174.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -81.12 -38.82 26.61 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 171.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.81 31.11 2.59 Favored Glycine 0 C--N 1.378 2.889 0 N-CA-C 116.355 1.302 . . . . 0.0 116.355 171.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.3 111.58 23.33 Favored 'General case' 0 C--N 1.376 1.719 0 CA-C-O 121.779 0.8 . . . . 0.0 109.562 178.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.68 -24.96 61.92 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.496 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.5 m -71.26 -37.67 71.91 Favored 'General case' 0 CA--C 1.571 1.77 0 C-N-CA 125.136 1.374 . . . . 0.0 110.4 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.71 -22.25 58.94 Favored 'General case' 0 C--N 1.391 2.381 0 C-N-CA 124.456 1.102 . . . . 0.0 111.998 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.3 t -75.81 -49.4 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 C-N-CA 126.215 1.806 . . . . 0.0 109.663 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.38 81.31 Favored 'General case' 0 C--N 1.384 2.097 0 C-N-CA 127.194 2.197 . . . . 0.0 112.718 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -64.14 -42.61 96.72 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 125.892 1.677 . . . . 0.0 109.924 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.44 -33.53 67.13 Favored 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 124.665 1.186 . . . . 0.0 110.711 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.04 94.61 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 124.489 1.116 . . . . 0.0 111.84 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.03 -38.08 72.58 Favored 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 126.202 1.801 . . . . 0.0 111.231 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.36 -29.45 64.98 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 125.366 1.466 . . . . 0.0 110.556 174.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.61 -42.14 64.81 Favored 'General case' 0 C--N 1.374 1.673 0 C-N-CA 123.942 0.897 . . . . 0.0 112.104 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.76 -40.17 79.9 Favored 'General case' 0 C--N 1.39 2.327 0 C-N-CA 125.205 1.402 . . . . 0.0 112.657 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.05 -37.94 84.94 Favored 'General case' 0 C--N 1.389 2.288 0 C-N-CA 126.085 1.754 . . . . 0.0 112.062 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -73.35 -27.29 61.42 Favored 'General case' 0 C--N 1.376 1.746 0 C-N-CA 124.229 1.011 . . . . 0.0 112.31 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.43 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 26.5 mt -61.9 -46.17 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.454 0 C-N-CA 123.167 0.587 . . . . 0.0 109.88 174.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.5 mt-10 -66.56 -43.57 84.65 Favored 'General case' 0 N--CA 1.503 2.215 0 C-N-CA 124.884 1.274 . . . . 0.0 112.032 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.29 -44.48 59.11 Favored 'General case' 0 C--N 1.377 1.778 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.49 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 5.5 mp -85.93 -44.71 12.16 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 115.786 1.772 . . . . 0.0 115.786 -175.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 45.0 mt-30 -66.13 -39.07 89.6 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 123.905 0.753 . . . . 0.0 112.407 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.6 mtt180 -78.72 -39.57 36.04 Favored 'General case' 0 C--N 1.388 2.269 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.73 -31.71 65.17 Favored 'General case' 0 N--CA 1.513 2.709 0 CA-C-N 119.467 1.03 . . . . 0.0 110.511 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 86' ' ' LEU . . . -74.17 -29.14 61.63 Favored 'General case' 0 C--N 1.388 2.255 0 C-N-CA 124.271 1.029 . . . . 0.0 109.926 174.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -70.34 -35.78 73.81 Favored 'General case' 0 C--N 1.41 3.205 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.4 p -85.02 -22.41 29.05 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 123.96 0.904 . . . . 0.0 110.602 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.98 -26.77 57.07 Favored 'General case' 0 C--N 1.387 2.234 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.723 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.14 -8.92 58.1 Favored 'General case' 0 C--N 1.392 2.454 0 C-N-CA 125.57 1.548 . . . . 0.0 113.126 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 N--CA 1.498 1.925 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 179.13 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 . . . . . 0 N--CA 1.504 2.241 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 79.7 mt -70.78 -32.91 70.18 Favored 'General case' 0 N--CA 1.509 2.496 0 C-N-CA 125.066 1.346 . . . . 0.0 111.069 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -69.97 -31.69 69.53 Favored 'General case' 0 C--N 1.376 1.755 0 C-N-CA 125.507 1.523 . . . . 0.0 110.0 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.07 89.1 Favored 'General case' 0 C--N 1.393 2.474 0 C-N-CA 125.568 1.547 . . . . 0.0 110.904 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -71.37 -50.02 36.39 Favored 'General case' 0 C--N 1.384 2.071 0 C-N-CA 124.463 1.105 . . . . 0.0 111.045 176.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.68 -60.94 3.04 Favored 'General case' 0 CA--C 1.593 2.621 0 O-C-N 124.518 1.136 . . . . 0.0 113.201 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -86.2 -52.03 5.91 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -175.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.21 -35.82 74.15 Favored 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -81.79 -22.09 37.35 Favored 'General case' 0 C--N 1.385 2.131 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -71.97 -25.84 62.02 Favored 'General case' 0 C--N 1.395 2.567 0 CA-C-N 118.196 0.453 . . . . 0.0 110.826 172.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -70.12 -42.46 72.61 Favored 'General case' 0 N--CA 1.512 2.65 0 C-N-CA 125.007 1.323 . . . . 0.0 112.139 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -68.04 -35.7 78.7 Favored 'General case' 0 C--N 1.391 2.382 0 C-N-CA 124.776 1.231 . . . . 0.0 112.73 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.34 -32.82 72.15 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 124.962 1.305 . . . . 0.0 111.692 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -64.49 -42.0 96.13 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 125.74 1.616 . . . . 0.0 112.781 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -72.58 -40.92 66.23 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.02 -33.18 72.88 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 118.039 0.381 . . . . 0.0 110.135 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.25 -32.23 68.49 Favored 'General case' 0 C--N 1.379 1.872 0 C-N-CA 125.101 1.36 . . . . 0.0 112.664 175.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.68 -37.24 79.42 Favored 'General case' 0 C--N 1.403 2.91 0 C-N-CA 125.123 1.369 . . . . 0.0 111.654 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.4 mtt -65.03 -38.34 90.57 Favored 'General case' 0 C--N 1.393 2.482 0 C-N-CA 125.399 1.48 . . . . 0.0 110.477 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -69.25 -38.98 78.73 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 124.998 1.319 . . . . 0.0 110.673 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -74.15 -46.6 41.32 Favored 'General case' 0 N--CA 1.51 2.556 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.17 -40.78 77.94 Favored 'General case' 0 N--CA 1.514 2.728 0 C-N-CA 124.548 1.139 . . . . 0.0 113.341 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.71 -34.72 76.13 Favored 'General case' 0 C--N 1.383 2.056 0 C-N-CA 124.265 1.026 . . . . 0.0 111.713 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 27.2 tt0 -70.9 -29.93 66.13 Favored 'General case' 0 C--N 1.384 2.089 0 CA-C-O 117.772 -1.109 . . . . 0.0 113.264 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -71.02 -49.43 45.14 Favored 'General case' 0 N--CA 1.51 2.574 0 CA-C-N 119.361 0.982 . . . . 0.0 113.592 -177.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -75.63 -32.98 60.45 Favored 'General case' 0 C--N 1.389 2.304 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.419 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -88.14 -12.33 44.34 Favored 'General case' 0 CA--C 1.576 1.976 0 C-N-CA 124.318 1.047 . . . . 0.0 112.678 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -62.67 -33.76 75.71 Favored 'General case' 0 N--CA 1.522 3.171 0 C-N-CA 125.639 1.575 . . . . 0.0 110.504 174.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.25 -16.34 64.23 Favored 'General case' 0 N--CA 1.503 2.177 0 C-N-CA 125.618 1.567 . . . . 0.0 114.03 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -97.16 -28.98 13.86 Favored 'General case' 0 C--N 1.391 2.37 0 C-N-CA 124.401 1.08 . . . . 0.0 110.255 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 51.08 28.17 3.79 Favored 'General case' 0 N--CA 1.527 3.387 0 C-N-CA 128.392 2.677 . . . . 0.0 116.622 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.437 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 2.3 m-20 -88.38 146.48 37.86 Favored Pre-proline 0 CA--C 1.584 2.274 0 CA-C-O 118.592 -0.718 . . . . 0.0 112.267 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -59.14 -11.29 12.41 Favored 'Trans proline' 1 C--N 1.427 4.68 0 C-N-CA 124.448 3.432 . . . . 0.0 118.081 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -70.29 -31.2 68.44 Favored 'General case' 0 N--CA 1.53 3.54 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -174.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.449 ' O ' HD13 ' A' ' 145' ' ' ILE . 0.0 OUTLIER -77.65 -29.96 51.91 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 126.364 1.866 . . . . 0.0 110.347 -179.297 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.12 -33.12 71.43 Favored 'General case' 0 C--N 1.391 2.402 0 C-N-CA 124.933 1.293 . . . . 0.0 109.813 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -71.49 -34.11 69.85 Favored 'General case' 0 CA--C 1.58 2.108 0 C-N-CA 123.733 0.813 . . . . 0.0 110.802 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.49 -43.79 65.9 Favored 'General case' 0 N--CA 1.516 2.871 0 C-N-CA 125.386 1.474 . . . . 0.0 114.72 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.449 HD13 ' O ' ' A' ' 141' ' ' LEU . 3.7 mt -69.14 -41.79 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.263 0 C-N-CA 125.238 1.415 . . . . 0.0 109.872 178.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.8 m -61.53 -39.85 92.54 Favored 'General case' 0 CA--C 1.587 2.375 0 C-N-CA 125.854 1.662 . . . . 0.0 111.405 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.18 94.69 Favored 'General case' 0 N--CA 1.51 2.573 0 C-N-CA 124.892 1.277 . . . . 0.0 112.693 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.4 mt -73.47 -28.6 62.02 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 125.049 1.34 . . . . 0.0 111.485 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -35.45 79.12 Favored 'General case' 0 C--N 1.389 2.314 0 C-N-CA 126.076 1.75 . . . . 0.0 112.548 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -75.78 -35.59 60.05 Favored 'General case' 0 C--N 1.387 2.205 0 C-N-CA 125.441 1.497 . . . . 0.0 110.369 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -71.12 -35.03 71.62 Favored 'General case' 0 C--N 1.386 2.177 0 C-N-CA 125.188 1.395 . . . . 0.0 112.713 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.16 -40.38 97.4 Favored 'General case' 0 C--N 1.381 1.964 0 C-N-CA 124.425 1.09 . . . . 0.0 109.962 174.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.73 -40.93 39.52 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 178.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -71.09 -37.59 72.41 Favored 'General case' 0 N--CA 1.511 2.591 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 98.5 m -73.29 -39.18 65.54 Favored 'General case' 0 C--N 1.375 1.709 0 C-N-CA 123.483 0.713 . . . . 0.0 112.443 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -70.74 -39.75 73.15 Favored 'General case' 0 CA--C 1.581 2.152 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.7 m -71.67 -44.41 64.32 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 124.777 1.231 . . . . 0.0 112.863 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.41 87.39 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 125.162 1.385 . . . . 0.0 113.459 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 21.9 mt -71.8 -38.62 66.21 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.115 0 C-N-CA 125.268 1.427 . . . . 0.0 111.319 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.6 95.02 Favored 'General case' 0 C--N 1.39 2.335 0 C-N-CA 124.24 1.016 . . . . 0.0 113.408 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.3 -40.24 89.88 Favored 'General case' 0 N--CA 1.512 2.642 0 C-N-CA 125.103 1.361 . . . . 0.0 112.692 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.6 p -71.13 -31.19 67.44 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 124.184 0.994 . . . . 0.0 112.225 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -72.99 -31.37 64.47 Favored 'General case' 0 C--N 1.383 2.048 0 C-N-CA 124.828 1.251 . . . . 0.0 112.197 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.84 -39.18 83.89 Favored 'General case' 0 N--CA 1.513 2.696 0 C-N-CA 124.987 1.315 . . . . 0.0 112.946 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.39 -33.85 71.88 Favored 'General case' 0 C--N 1.377 1.776 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.577 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.1 mt -70.75 -29.29 65.5 Favored 'General case' 0 N--CA 1.505 2.288 0 C-N-CA 125.217 1.407 . . . . 0.0 111.686 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.64 -27.17 61.96 Favored 'General case' 0 C--N 1.38 1.929 0 C-N-CA 125.21 1.404 . . . . 0.0 112.701 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.38 1.934 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -177.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo . . . . . 0 N--CA 1.524 3.311 0 N-CA-C 117.215 1.967 . . . . 0.0 117.215 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.64 -35.57 65.31 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 124.147 0.979 . . . . 0.0 112.222 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.36 -35.04 58.9 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 125.748 1.619 . . . . 0.0 112.435 178.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.38 -31.37 65.51 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 123.892 0.877 . . . . 0.0 110.048 177.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -66.09 -38.29 87.9 Favored 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 124.956 1.303 . . . . 0.0 111.829 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.4 m -71.99 -40.9 68.23 Favored 'General case' 0 C--N 1.382 1.98 0 C-N-CA 124.472 1.109 . . . . 0.0 110.634 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mt -58.79 -43.31 90.46 Favored 'General case' 0 C--N 1.386 2.187 0 O-C-N 124.372 1.045 . . . . 0.0 112.412 173.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -66.0 -39.58 90.41 Favored 'General case' 0 C--N 1.399 2.741 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.436 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 2.0 m -69.97 -35.76 74.68 Favored 'General case' 0 C--N 1.38 1.917 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.567 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.31 -32.73 73.52 Favored 'General case' 0 N--CA 1.506 2.371 0 C-N-CA 124.375 1.07 . . . . 0.0 111.413 174.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.3 t -73.86 -44.81 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.379 0 C-N-CA 125.566 1.546 . . . . 0.0 110.691 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.19 -30.04 68.15 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 123.485 0.714 . . . . 0.0 111.337 175.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' A' ' 12' ' ' THR . . . -65.56 -40.86 93.3 Favored 'General case' 0 N--CA 1.514 2.747 0 C-N-CA 126.048 1.739 . . . . 0.0 110.446 172.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -36.15 72.07 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 125.23 1.412 . . . . 0.0 110.511 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -59.77 -43.45 94.34 Favored 'General case' 0 N--CA 1.501 2.125 0 C-N-CA 127.354 2.262 . . . . 0.0 111.948 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.95 -15.0 59.34 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 124.87 1.268 . . . . 0.0 114.31 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.76 -17.27 19.48 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 124.777 1.231 . . . . 0.0 109.228 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.55 14.91 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 127.162 2.185 . . . . 0.0 110.855 176.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.4 -77.44 0.32 Allowed Glycine 0 C--N 1.363 2.075 0 CA-C-O 116.628 -2.207 . . . . 0.0 114.458 -172.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -68.51 -2.57 9.45 Favored 'Trans proline' 0 C--N 1.411 3.859 0 CA-C-N 122.426 3.113 . . . . 0.0 115.739 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -9.32 51.55 Favored 'General case' 0 N--CA 1.507 2.386 0 C-N-CA 126.361 1.864 . . . . 0.0 112.046 178.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.181 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 178.488 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 122.142 0.972 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -83.45 6.27 20.78 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-N 113.552 -1.658 . . . . 0.0 114.235 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -79.7 -27.17 40.73 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.034 0.933 . . . . 0.0 110.741 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mt -95.28 -5.44 43.63 Favored 'General case' 0 C--N 1.389 2.292 0 O-C-N 123.897 0.748 . . . . 0.0 112.834 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.13 152.52 35.47 Favored 'General case' 0 C--N 1.383 2.032 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.41 105.77 9.69 Favored 'General case' 0 C--N 1.386 2.156 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.6 173.85 0.67 Allowed 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 113.143 -1.844 . . . . 0.0 109.768 -178.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -87.96 -41.17 13.33 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.73 80.05 0.1 OUTLIER Glycine 0 N--CA 1.506 3.305 0 N-CA-C 119.632 2.613 . . . . 0.0 119.632 170.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.89 20.69 2.85 Favored 'General case' 0 C--N 1.371 1.507 0 CA-C-N 119.598 1.699 . . . . 0.0 106.781 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.451 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 72.6 ttt180 -153.35 147.85 26.07 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.862 1.665 . . . . 0.0 110.519 -176.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -23.28 62.56 Favored 'General case' 0 N--CA 1.524 3.265 0 C-N-CA 123.843 0.857 . . . . 0.0 110.69 173.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.451 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -60.58 -40.57 98.03 Favored Glycine 0 C--N 1.38 2.98 0 C-N-CA 124.832 1.206 . . . . 0.0 115.933 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.65 -25.86 57.2 Favored 'General case' 0 N--CA 1.514 2.759 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -83.61 -30.03 27.26 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.083 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -74.45 -40.21 62.06 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 125.163 1.385 . . . . 0.0 112.547 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -30.85 70.2 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.309 1.444 . . . . 0.0 111.24 176.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -77.54 -30.05 52.59 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 123.413 0.685 . . . . 0.0 110.064 177.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.27 -39.43 68.38 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 114.014 -1.448 . . . . 0.0 111.777 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -65.75 -39.86 91.52 Favored 'General case' 0 N--CA 1.507 2.404 0 C-N-CA 125.064 1.346 . . . . 0.0 110.871 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.54 -26.06 61.61 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 126.884 2.074 . . . . 0.0 113.445 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.9 m -78.47 -31.59 47.96 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 123.558 0.743 . . . . 0.0 110.414 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.0 tp -71.47 -41.14 69.72 Favored 'General case' 0 C--N 1.384 2.089 0 C-N-CA 125.126 1.37 . . . . 0.0 110.447 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.9 p -71.79 -31.07 66.22 Favored 'General case' 0 N--CA 1.504 2.256 0 C-N-CA 125.632 1.573 . . . . 0.0 113.487 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -75.97 -37.03 59.03 Favored 'General case' 0 N--CA 1.51 2.534 0 C-N-CA 123.751 0.82 . . . . 0.0 113.107 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.87 -29.98 66.23 Favored 'General case' 0 C--N 1.387 2.216 0 C-N-CA 124.567 1.147 . . . . 0.0 111.343 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.5 -35.3 80.02 Favored 'General case' 0 N--CA 1.506 2.37 0 C-N-CA 126.7 2.0 . . . . 0.0 111.752 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.63 -40.07 92.14 Favored 'General case' 0 C--N 1.393 2.457 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.202 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.57 -27.44 68.96 Favored 'General case' 0 C--N 1.397 2.668 0 C-N-CA 125.039 1.335 . . . . 0.0 113.586 173.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.21 -39.22 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.785 0 C-N-CA 125.413 1.485 . . . . 0.0 108.913 175.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -70.66 -10.41 59.31 Favored 'General case' 0 N--CA 1.504 2.253 0 C-N-CA 125.58 1.552 . . . . 0.0 112.146 174.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -92.73 -8.85 42.66 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 125.485 1.514 . . . . 0.0 111.829 176.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.21 35.35 18.12 Favored Glycine 0 C--N 1.376 2.788 0 N-CA-C 117.511 1.764 . . . . 0.0 117.511 178.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.0 96.04 6.76 Favored 'General case' 0 C--N 1.371 1.502 0 CA-C-O 122.244 1.021 . . . . 0.0 108.532 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.39 -22.47 61.12 Favored 'General case' 0 N--CA 1.505 2.3 0 CA-C-N 113.201 -1.818 . . . . 0.0 112.303 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.3 m -70.4 -36.4 74.05 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 125.32 1.448 . . . . 0.0 109.776 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.84 -20.68 59.65 Favored 'General case' 0 C--N 1.392 2.432 0 C-N-CA 124.01 0.924 . . . . 0.0 111.655 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.7 t -75.06 -51.15 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 126.215 1.806 . . . . 0.0 109.794 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.67 80.77 Favored 'General case' 0 C--N 1.38 1.901 0 C-N-CA 126.833 2.053 . . . . 0.0 113.004 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -42.25 96.69 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 125.991 1.717 . . . . 0.0 110.633 174.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.491 ' O ' HD21 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -74.01 -37.65 64.31 Favored 'General case' 0 CA--C 1.571 1.76 0 O-C-N 124.504 1.128 . . . . 0.0 110.394 177.139 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.05 98.38 Favored 'General case' 0 N--CA 1.517 2.922 0 C-N-CA 124.107 0.963 . . . . 0.0 112.679 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.14 -38.26 69.27 Favored 'General case' 0 N--CA 1.514 2.756 0 C-N-CA 125.658 1.583 . . . . 0.0 111.713 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.29 -29.82 64.23 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 125.373 1.469 . . . . 0.0 111.367 175.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.598 ' O ' HG22 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -70.87 -47.99 56.23 Favored 'General case' 0 C--N 1.37 1.482 0 CA-C-O 117.738 -1.125 . . . . 0.0 112.921 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.497 ' O ' HG13 ' A' ' 83' ' ' ILE . . . -69.48 -35.74 75.88 Favored 'General case' 0 C--N 1.384 2.082 0 C-N-CA 124.492 1.117 . . . . 0.0 112.876 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.66 86.8 Favored 'General case' 0 C--N 1.387 2.199 0 C-N-CA 125.151 1.38 . . . . 0.0 110.836 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -74.48 -27.58 60.64 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 124.154 0.982 . . . . 0.0 112.646 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -63.2 -42.79 97.78 Favored 'Isoleucine or valine' 0 C--N 1.39 2.348 0 CA-C-N 118.516 0.598 . . . . 0.0 110.567 177.347 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 3.2 mt-10 -68.34 -44.35 75.49 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 125.648 1.579 . . . . 0.0 111.998 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.3 54.49 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -176.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.2 mt -86.16 -45.27 11.5 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 -175.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.467 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 69.3 mt-30 -65.72 -39.03 90.75 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 123.774 0.671 . . . . 0.0 111.803 178.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.6 mtt180 -78.16 -39.0 42.3 Favored 'General case' 0 C--N 1.389 2.295 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.79 -33.07 68.28 Favored 'General case' 0 N--CA 1.517 2.92 0 CA-C-N 119.829 1.195 . . . . 0.0 110.463 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.16 -30.19 62.14 Favored 'General case' 0 C--N 1.386 2.16 0 C-N-CA 124.179 0.992 . . . . 0.0 110.354 175.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.467 ' HB1' ' O ' ' A' ' 87' ' ' GLN . . . -68.48 -34.68 76.35 Favored 'General case' 0 C--N 1.409 3.161 0 C-N-CA 124.607 1.163 . . . . 0.0 113.79 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.0 p -84.18 -21.47 31.28 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.241 1.017 . . . . 0.0 110.484 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.98 -28.2 60.46 Favored 'General case' 0 C--N 1.389 2.299 0 CA-C-N 114.293 -1.321 . . . . 0.0 112.24 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.93 -8.23 58.69 Favored 'General case' 0 C--N 1.395 2.584 0 C-N-CA 124.871 1.268 . . . . 0.0 111.934 177.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.497 1.904 0 C-N-CA 124.948 1.299 . . . . 0.0 114.467 -178.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 119.642 -0.218 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.403 ' O ' HD11 ' A' ' 112' ' ' LEU . 71.7 mt -72.31 -40.69 67.3 Favored 'General case' 0 C--N 1.379 1.89 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -69.29 -33.43 73.18 Favored 'General case' 0 C--N 1.383 2.058 0 C-N-CA 124.363 1.065 . . . . 0.0 111.543 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.2 -36.71 83.77 Favored 'General case' 0 C--N 1.386 2.177 0 C-N-CA 125.485 1.514 . . . . 0.0 110.862 173.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.561 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 1.8 mpt_? -74.83 -49.61 20.04 Favored 'General case' 0 C--N 1.373 1.629 0 C-N-CA 123.852 0.861 . . . . 0.0 111.424 176.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 108' ' ' LEU . 2.6 mp -63.76 -60.86 2.76 Favored 'General case' 0 CA--C 1.6 2.901 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.16 -42.57 23.19 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 116.917 2.192 . . . . 0.0 116.917 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 39.6 mt-10 -72.5 -31.68 65.56 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.561 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 2.4 m-85 -68.31 -38.13 81.29 Favored 'General case' 0 C--N 1.39 2.351 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.057 176.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.84 -38.02 82.65 Favored 'General case' 0 C--N 1.391 2.389 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.44 -42.43 78.85 Favored 'General case' 0 N--CA 1.52 3.061 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -72.01 -34.12 68.6 Favored 'General case' 0 N--CA 1.504 2.268 0 C-N-CA 124.106 0.962 . . . . 0.0 112.556 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 34.2 mt-10 -76.7 -18.92 58.24 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 124.392 1.077 . . . . 0.0 111.911 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -70.25 -50.69 37.18 Favored 'General case' 0 C--N 1.389 2.297 0 C-N-CA 125.256 1.422 . . . . 0.0 112.78 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -72.26 -38.5 68.84 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.9 mt -60.5 -33.39 72.55 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 123.537 0.523 . . . . 0.0 110.523 174.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -71.23 -33.5 69.92 Favored 'General case' 0 C--N 1.381 1.966 0 C-N-CA 124.684 1.194 . . . . 0.0 111.932 176.172 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.92 -39.47 90.59 Favored 'General case' 0 C--N 1.41 3.196 0 C-N-CA 125.657 1.583 . . . . 0.0 112.369 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.7 mtt -63.46 -40.15 96.37 Favored 'General case' 0 C--N 1.392 2.429 0 O-C-N 124.819 1.325 . . . . 0.0 110.496 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -68.1 -38.56 82.45 Favored 'General case' 0 C--N 1.385 2.119 0 C-N-CA 124.87 1.268 . . . . 0.0 110.365 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -63.43 -37.74 88.46 Favored 'General case' 0 C--N 1.402 2.872 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.52 -39.89 85.08 Favored 'General case' 0 N--CA 1.506 2.345 0 C-N-CA 124.324 1.049 . . . . 0.0 111.054 176.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -74.22 -26.05 60.03 Favored 'General case' 0 C--N 1.383 2.058 0 C-N-CA 124.761 1.224 . . . . 0.0 112.645 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -69.18 -37.17 78.03 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 125.54 1.536 . . . . 0.0 111.539 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -66.58 -38.52 87.22 Favored 'General case' 0 C--N 1.386 2.175 0 C-N-CA 124.947 1.299 . . . . 0.0 110.669 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.71 -35.88 75.42 Favored 'General case' 0 C--N 1.389 2.285 0 C-N-CA 124.958 1.303 . . . . 0.0 111.791 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -68.56 -36.77 79.22 Favored 'General case' 0 C--N 1.392 2.416 0 C-N-CA 125.277 1.431 . . . . 0.0 111.854 177.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.46 90.65 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 125.221 1.408 . . . . 0.0 113.528 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -90.58 -38.88 12.87 Favored 'General case' 0 C--N 1.386 2.173 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -106.93 -30.24 8.98 Favored 'General case' 0 C--N 1.393 2.469 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -174.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 55.8 26.14 9.23 Favored 'General case' 0 N--CA 1.53 3.53 0 C-N-CA 127.53 2.332 . . . . 0.0 116.472 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.82 141.25 68.11 Favored Pre-proline 0 N--CA 1.5 2.063 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.44 -13.87 31.68 Favored 'Trans proline' 1 C--N 1.432 4.933 0 C-N-CA 124.073 3.182 . . . . 0.0 116.728 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -69.03 -37.66 78.75 Favored 'General case' 0 N--CA 1.527 3.408 0 C-N-CA 124.381 1.072 . . . . 0.0 113.321 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.445 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -77.92 -29.51 50.09 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 126.607 1.963 . . . . 0.0 110.069 -179.478 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.24 -36.77 77.51 Favored 'General case' 0 C--N 1.379 1.878 0 C-N-CA 126.757 2.023 . . . . 0.0 110.233 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.24 -34.12 72.47 Favored 'General case' 0 C--N 1.379 1.886 0 C-N-CA 124.139 0.976 . . . . 0.0 110.601 173.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.25 -42.09 66.03 Favored 'General case' 0 N--CA 1.512 2.634 0 C-N-CA 125.226 1.41 . . . . 0.0 114.424 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.9 mt -66.63 -43.46 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.334 0 C-N-CA 125.1 1.36 . . . . 0.0 108.813 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.4 m -62.64 -41.55 99.09 Favored 'General case' 0 CA--C 1.59 2.486 0 C-N-CA 126.154 1.781 . . . . 0.0 111.432 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.73 95.37 Favored 'General case' 0 N--CA 1.513 2.693 0 C-N-CA 124.677 1.191 . . . . 0.0 112.467 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.26 -26.44 58.81 Favored 'General case' 0 C--N 1.381 1.96 0 C-N-CA 124.705 1.202 . . . . 0.0 111.886 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -37.86 89.04 Favored 'General case' 0 C--N 1.391 2.398 0 C-N-CA 126.249 1.82 . . . . 0.0 112.286 177.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -75.41 -35.09 61.07 Favored 'General case' 0 C--N 1.39 2.367 0 C-N-CA 124.897 1.279 . . . . 0.0 110.149 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -70.68 -34.21 71.75 Favored 'General case' 0 C--N 1.388 2.24 0 C-N-CA 125.406 1.482 . . . . 0.0 112.592 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.94 -39.35 93.96 Favored 'General case' 0 C--N 1.379 1.866 0 C-N-CA 124.711 1.204 . . . . 0.0 109.851 175.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.7 p -76.29 -38.91 55.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.156 0.91 . . . . 0.0 112.658 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -71.28 -35.19 71.25 Favored 'General case' 0 N--CA 1.511 2.578 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 83.4 m -72.08 -39.38 69.02 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 123.739 0.816 . . . . 0.0 112.41 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -29.67 69.91 Favored 'General case' 0 N--CA 1.51 2.527 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.64 -42.31 35.27 Favored 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 123.527 0.731 . . . . 0.0 112.287 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.15 -36.88 75.04 Favored 'General case' 0 C--N 1.379 1.85 0 C-N-CA 125.365 1.466 . . . . 0.0 113.075 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 33.8 mt -70.11 -40.13 77.94 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.85 0 C-N-CA 125.448 1.499 . . . . 0.0 110.6 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.84 96.97 Favored 'General case' 0 C--N 1.393 2.479 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.53 -40.53 76.85 Favored 'General case' 0 N--CA 1.514 2.762 0 C-N-CA 124.903 1.281 . . . . 0.0 114.044 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.2 p -70.93 -36.16 72.52 Favored 'General case' 0 N--CA 1.51 2.544 0 C-N-CA 124.303 1.041 . . . . 0.0 112.499 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -72.21 -32.6 66.92 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 124.536 1.134 . . . . 0.0 111.964 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -66.35 -37.32 85.06 Favored 'General case' 0 N--CA 1.51 2.538 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.58 -36.07 73.38 Favored 'General case' 0 C--N 1.372 1.545 0 O-C-N 124.57 1.169 . . . . 0.0 110.581 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.3 mt -74.7 -31.74 61.96 Favored 'General case' 0 C--N 1.39 2.366 0 C-N-CA 126.085 1.754 . . . . 0.0 112.651 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -72.41 -29.63 63.9 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 125.302 1.441 . . . . 0.0 113.169 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.382 2.008 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -177.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo . . . . . 0 N--CA 1.528 3.503 0 N-CA-C 117.528 2.088 . . . . 0.0 117.528 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mt -81.48 -34.11 31.54 Favored 'General case' 0 N--CA 1.507 2.41 0 CA-C-N 119.001 0.818 . . . . 0.0 111.911 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.5 -36.57 52.47 Favored 'General case' 0 C--N 1.374 1.665 0 C-N-CA 125.356 1.462 . . . . 0.0 112.555 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -29.8 65.47 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 124.009 0.924 . . . . 0.0 110.309 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -67.13 -37.98 84.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 124.517 1.136 . . . . 0.0 111.545 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.4 m -71.53 -41.19 69.48 Favored 'General case' 0 C--N 1.387 2.224 0 C-N-CA 124.259 1.024 . . . . 0.0 110.679 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.91 -43.86 86.44 Favored 'General case' 0 C--N 1.389 2.31 0 O-C-N 124.388 1.055 . . . . 0.0 111.703 172.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -65.12 -41.74 94.58 Favored 'General case' 0 C--N 1.396 2.63 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 7.8 m -67.91 -39.67 83.52 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.631 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.25 -32.55 72.36 Favored 'General case' 0 N--CA 1.504 2.243 0 C-N-CA 124.851 1.26 . . . . 0.0 111.89 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.54 -46.61 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.283 0 C-N-CA 125.162 1.385 . . . . 0.0 111.168 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 -32.34 72.28 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 123.835 0.854 . . . . 0.0 111.531 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 12' ' ' THR . . . -65.72 -40.45 92.22 Favored 'General case' 0 N--CA 1.51 2.555 0 C-N-CA 125.647 1.579 . . . . 0.0 111.483 172.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.39 -37.21 66.05 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 124.1 0.96 . . . . 0.0 111.104 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -60.95 -39.02 87.91 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 126.906 2.082 . . . . 0.0 112.09 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.01 -32.35 70.48 Favored 'General case' 0 N--CA 1.509 2.482 0 C-N-CA 123.487 0.715 . . . . 0.0 112.282 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mp -80.24 -22.17 42.04 Favored 'General case' 0 N--CA 1.504 2.259 0 C-N-CA 125.982 1.713 . . . . 0.0 112.831 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.43 HG21 ' O ' ' A' ' 21' ' ' ILE . 59.1 mt -109.29 15.3 8.12 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.66 0 C-N-CA 127.514 2.326 . . . . 0.0 108.758 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.87 -75.44 0.67 Allowed Glycine 0 N--CA 1.502 3.083 0 CA-C-O 117.935 -1.481 . . . . 0.0 115.718 -174.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.33 -7.8 15.02 Favored 'Trans proline' 0 C--N 1.412 3.917 0 C-N-CA 123.687 2.925 . . . . 0.0 117.405 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.21 -61.95 1.62 Allowed 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 126.303 1.841 . . . . 0.0 113.043 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.444 0 CA-C-N 120.051 1.296 . . . . 0.0 113.797 179.758 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 122.232 1.015 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -80.68 -10.0 59.76 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 113.37 -1.741 . . . . 0.0 114.024 -175.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -80.69 -28.05 36.84 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 123.339 0.656 . . . . 0.0 111.291 -177.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mt -101.2 -4.33 27.39 Favored 'General case' 0 C--N 1.388 2.254 0 O-C-N 123.559 0.537 . . . . 0.0 112.305 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -118.83 153.4 34.56 Favored 'General case' 0 C--N 1.383 2.056 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.3 109.86 14.47 Favored 'General case' 0 C--N 1.382 2.006 0 N-CA-C 104.766 -2.309 . . . . 0.0 104.766 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.9 p -146.15 147.97 32.08 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.209 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -85.22 -34.91 21.91 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 114.183 -1.371 . . . . 0.0 110.181 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.67 87.88 2.01 Favored Glycine 0 C--N 1.381 3.054 0 CA-C-O 118.163 -1.354 . . . . 0.0 113.457 175.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -126.55 -75.42 0.58 Allowed 'General case' 0 C--N 1.372 1.555 0 N-CA-C 105.58 -2.008 . . . . 0.0 105.58 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -148.09 -167.98 2.95 Favored 'General case' 0 N--CA 1.509 2.491 0 CA-C-N 112.53 -2.123 . . . . 0.0 111.22 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -17.86 63.65 Favored 'General case' 0 C--N 1.413 3.354 0 C-N-CA 124.555 1.142 . . . . 0.0 109.838 173.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.72 -37.56 77.58 Favored Glycine 0 C--N 1.388 3.434 0 C-N-CA 125.585 1.565 . . . . 0.0 114.036 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.43 -22.49 59.11 Favored 'General case' 0 N--CA 1.524 3.236 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -83.34 -30.85 27.14 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.27 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -75.24 -36.89 61.25 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 125.181 1.393 . . . . 0.0 111.745 175.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -36.48 78.26 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.995 1.318 . . . . 0.0 111.625 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.27 -31.72 60.84 Favored 'General case' 0 C--N 1.381 1.953 0 C-N-CA 123.734 0.814 . . . . 0.0 111.502 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.41 -40.54 70.43 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-N 113.874 -1.512 . . . . 0.0 111.311 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -36.84 79.92 Favored 'General case' 0 CA--C 1.576 1.976 0 C-N-CA 124.612 1.165 . . . . 0.0 110.298 175.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.4 -25.34 62.3 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 125.758 1.623 . . . . 0.0 112.55 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.3 m -78.52 -30.99 47.38 Favored 'General case' 0 C--N 1.383 2.063 0 C-N-CA 124.038 0.935 . . . . 0.0 110.253 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -42.93 65.48 Favored 'General case' 0 C--N 1.387 2.22 0 C-N-CA 124.278 1.031 . . . . 0.0 110.805 176.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.2 p -70.04 -31.79 69.59 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 126.255 1.822 . . . . 0.0 113.214 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -76.63 -35.37 58.09 Favored 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 123.602 0.761 . . . . 0.0 112.281 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.4 -30.97 66.72 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 124.812 1.245 . . . . 0.0 111.495 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.23 -37.15 86.36 Favored 'General case' 0 N--CA 1.504 2.265 0 C-N-CA 126.668 1.987 . . . . 0.0 111.79 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.44 -38.76 88.12 Favored 'General case' 0 C--N 1.39 2.353 0 O-C-N 124.258 0.974 . . . . 0.0 111.206 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.3 -29.17 70.26 Favored 'General case' 0 C--N 1.392 2.416 0 C-N-CA 125.209 1.404 . . . . 0.0 113.4 173.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.32 -39.85 87.0 Favored 'Isoleucine or valine' 0 C--N 1.389 2.313 0 C-N-CA 125.038 1.335 . . . . 0.0 108.637 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -64.42 -24.29 67.58 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 126.568 1.947 . . . . 0.0 111.688 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -71.82 -39.79 69.57 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 171.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.49 34.04 1.99 Allowed Glycine 0 C--N 1.382 3.124 0 N-CA-C 116.192 1.237 . . . . 0.0 116.192 171.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.78 111.5 23.45 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-O 121.855 0.836 . . . . 0.0 110.184 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.59 -25.25 62.11 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 113.435 -1.711 . . . . 0.0 112.512 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.9 m -70.88 -37.04 73.01 Favored 'General case' 0 CA--C 1.573 1.843 0 C-N-CA 125.374 1.469 . . . . 0.0 110.711 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -75.09 -22.6 58.17 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 123.891 0.876 . . . . 0.0 112.017 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -75.83 -48.98 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 C-N-CA 126.692 1.997 . . . . 0.0 109.701 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.44 82.93 Favored 'General case' 0 C--N 1.383 2.042 0 C-N-CA 127.087 2.155 . . . . 0.0 112.571 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -45.86 91.47 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 125.254 1.422 . . . . 0.0 109.062 172.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.69 -40.01 94.64 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 125.034 1.459 . . . . 0.0 111.249 175.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.43 98.07 Favored 'General case' 0 N--CA 1.514 2.754 0 C-N-CA 124.861 1.264 . . . . 0.0 112.587 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -70.78 -36.1 72.88 Favored 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 126.184 1.794 . . . . 0.0 111.08 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -70.38 -30.12 66.95 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 125.623 1.569 . . . . 0.0 110.289 173.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -44.65 66.0 Favored 'General case' 0 CA--C 1.573 1.857 0 C-N-CA 124.986 1.314 . . . . 0.0 111.657 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.3 84.24 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 125.016 1.326 . . . . 0.0 112.677 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.79 85.71 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 126.281 1.832 . . . . 0.0 112.149 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -73.78 -27.92 61.39 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 123.842 0.857 . . . . 0.0 112.901 177.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.55 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 33.5 mt -62.49 -46.38 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 123.469 0.481 . . . . 0.0 109.756 175.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.3 mt-10 -66.44 -44.67 82.22 Favored 'General case' 0 N--CA 1.502 2.159 0 C-N-CA 124.755 1.222 . . . . 0.0 112.37 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.38 -46.93 46.09 Favored 'General case' 0 C--N 1.377 1.771 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -176.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 67.1 mt -85.84 -42.09 14.45 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -174.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.55 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 22.1 mt-30 -66.63 -39.93 88.51 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 123.922 0.764 . . . . 0.0 111.624 178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 2.0 mtp180 -79.83 -41.3 26.68 Favored 'General case' 0 C--N 1.389 2.307 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.473 ' O ' ' HB1' ' A' ' 93' ' ' ALA . 32.1 mt-10 -70.93 -34.7 71.75 Favored 'General case' 0 N--CA 1.515 2.775 0 CA-C-N 119.265 0.939 . . . . 0.0 111.274 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -74.66 -28.13 60.72 Favored 'General case' 0 CA--C 1.576 1.942 0 C-N-CA 123.665 0.786 . . . . 0.0 110.089 174.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -70.28 -37.2 74.79 Favored 'General case' 0 C--N 1.414 3.37 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -85.51 -23.33 27.78 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 124.38 1.072 . . . . 0.0 110.767 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 89' ' ' GLU . . . -75.45 -29.74 59.75 Favored 'General case' 0 C--N 1.387 2.197 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.491 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.4 p -79.2 -8.53 59.09 Favored 'General case' 0 C--N 1.392 2.418 0 C-N-CA 124.99 1.316 . . . . 0.0 113.118 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.775 0 C-N-CA 124.87 1.268 . . . . 0.0 114.102 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 . . . . . 0 CA--C 1.571 1.765 0 N-CA-C 112.26 0.466 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.4 mt -72.15 -37.11 69.48 Favored 'General case' 0 N--CA 1.517 2.905 0 C-N-CA 123.358 0.663 . . . . 0.0 111.083 176.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -70.81 -27.78 64.14 Favored 'General case' 0 C--N 1.384 2.096 0 C-N-CA 125.143 1.377 . . . . 0.0 109.45 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.98 -32.76 72.56 Favored 'General case' 0 C--N 1.391 2.406 0 C-N-CA 126.054 1.742 . . . . 0.0 110.97 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 6.6 mpt_? -73.43 -48.36 34.36 Favored 'General case' 0 C--N 1.393 2.493 0 C-N-CA 123.611 0.764 . . . . 0.0 109.257 176.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.14 -62.02 2.13 Favored 'General case' 0 CA--C 1.599 2.834 0 O-C-N 124.533 1.145 . . . . 0.0 113.255 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.34 -49.56 7.16 Favored 'General case' 0 C--N 1.383 2.04 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -175.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.92 -35.82 72.42 Favored 'General case' 0 N--CA 1.51 2.551 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.571 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 7.5 m-85 -70.97 -37.88 72.77 Favored 'General case' 0 C--N 1.392 2.431 0 CA-C-N 118.541 0.61 . . . . 0.0 111.89 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -67.92 -35.61 78.74 Favored 'General case' 0 C--N 1.397 2.634 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 176.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.11 -43.42 98.52 Favored 'General case' 0 N--CA 1.525 3.287 0 C-N-CA 124.904 1.281 . . . . 0.0 114.313 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -68.45 -35.81 78.11 Favored 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 124.381 1.072 . . . . 0.0 112.331 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -68.7 -35.68 77.48 Favored 'General case' 0 C--N 1.378 1.82 0 C-N-CA 124.856 1.262 . . . . 0.0 112.384 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -63.1 -41.81 99.47 Favored 'General case' 0 N--CA 1.507 2.392 0 C-N-CA 125.313 1.445 . . . . 0.0 114.389 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -73.24 -40.65 64.48 Favored 'General case' 0 N--CA 1.508 2.46 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.64 -33.5 71.6 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 123.422 0.451 . . . . 0.0 110.362 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.05 -33.83 70.65 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 125.289 1.436 . . . . 0.0 113.27 176.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.14 86.35 Favored 'General case' 0 C--N 1.399 2.754 0 C-N-CA 124.854 1.262 . . . . 0.0 111.667 -178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.0 mtt -65.73 -38.24 88.61 Favored 'General case' 0 C--N 1.391 2.395 0 CA-C-N 113.628 -1.624 . . . . 0.0 110.885 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -69.55 -38.46 77.46 Favored 'General case' 0 C--N 1.382 2.004 0 C-N-CA 124.642 1.177 . . . . 0.0 111.224 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -73.37 -46.75 47.22 Favored 'General case' 0 N--CA 1.508 2.434 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 -177.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.34 -40.9 73.82 Favored 'General case' 0 N--CA 1.509 2.502 0 C-N-CA 124.022 0.929 . . . . 0.0 113.299 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -68.55 -37.68 80.13 Favored 'General case' 0 C--N 1.384 2.105 0 C-N-CA 124.145 0.978 . . . . 0.0 112.813 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.582 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 0.4 OUTLIER -80.21 -14.37 58.49 Favored 'General case' 0 C--N 1.386 2.161 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.186 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -74.35 -52.74 11.3 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-N 118.788 0.722 . . . . 0.0 112.109 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -74.21 -30.71 62.32 Favored 'General case' 0 C--N 1.392 2.422 0 C-N-CA 124.147 0.979 . . . . 0.0 111.889 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -86.05 -14.17 45.19 Favored 'General case' 0 CA--C 1.574 1.876 0 C-N-CA 124.534 1.134 . . . . 0.0 112.566 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 130' ' ' GLU . . . -62.67 -35.06 78.45 Favored 'General case' 0 N--CA 1.521 3.076 0 C-N-CA 125.352 1.461 . . . . 0.0 110.223 174.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.77 -38.35 87.7 Favored 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 125.135 1.374 . . . . 0.0 112.71 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -70.63 -30.12 66.68 Favored 'General case' 0 C--N 1.396 2.615 0 C-N-CA 125.072 1.349 . . . . 0.0 112.498 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 51.54 27.4 3.85 Favored 'General case' 0 N--CA 1.528 3.45 0 C-N-CA 127.86 2.464 . . . . 0.0 117.01 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.58 148.95 39.81 Favored Pre-proline 0 CA--C 1.583 2.22 0 CA-C-O 118.648 -0.691 . . . . 0.0 112.143 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.05 -11.95 17.42 Favored 'Trans proline' 1 C--N 1.427 4.688 0 C-N-CA 124.167 3.244 . . . . 0.0 117.72 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -33.18 65.45 Favored 'General case' 0 N--CA 1.524 3.242 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -173.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -31.16 56.45 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 125.976 1.71 . . . . 0.0 110.73 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.24 -33.53 69.92 Favored 'General case' 0 C--N 1.385 2.137 0 C-N-CA 124.618 1.167 . . . . 0.0 109.787 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.12 -28.94 63.6 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 124.095 0.958 . . . . 0.0 111.995 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -76.2 -43.69 41.26 Favored 'General case' 0 C--N 1.395 2.578 0 C-N-CA 124.654 1.182 . . . . 0.0 112.706 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.1 mp -70.76 -40.58 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 C-N-CA 126.64 1.976 . . . . 0.0 112.106 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.5 m -62.01 -38.61 89.29 Favored 'General case' 0 CA--C 1.584 2.275 0 C-N-CA 125.94 1.696 . . . . 0.0 110.234 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.12 94.9 Favored 'General case' 0 N--CA 1.507 2.386 0 C-N-CA 124.813 1.245 . . . . 0.0 112.002 175.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.46 -28.47 61.97 Favored 'General case' 0 C--N 1.387 2.202 0 C-N-CA 125.187 1.395 . . . . 0.0 111.552 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -34.74 76.09 Favored 'General case' 0 C--N 1.39 2.341 0 C-N-CA 126.646 1.978 . . . . 0.0 111.391 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -76.28 -33.5 59.11 Favored 'General case' 0 C--N 1.38 1.908 0 C-N-CA 125.805 1.642 . . . . 0.0 109.853 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -71.96 -34.9 69.36 Favored 'General case' 0 C--N 1.385 2.126 0 C-N-CA 125.349 1.46 . . . . 0.0 112.626 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.82 -40.64 98.03 Favored 'General case' 0 C--N 1.38 1.912 0 C-N-CA 124.393 1.077 . . . . 0.0 109.863 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.3 p -77.55 -40.4 42.64 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -71.26 -36.05 71.61 Favored 'General case' 0 N--CA 1.514 2.773 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 90.0 m -73.24 -38.35 66.03 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 123.453 0.701 . . . . 0.0 111.679 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -64.71 -39.69 94.08 Favored 'General case' 0 C--N 1.389 2.29 0 C-N-CA 125.032 1.333 . . . . 0.0 112.939 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 15.0 m -72.09 -43.69 64.42 Favored 'General case' 0 CA--C 1.576 1.95 0 C-N-CA 125.037 1.335 . . . . 0.0 112.393 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.66 -39.26 84.54 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 125.541 1.536 . . . . 0.0 113.302 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 35.9 mt -70.43 -39.31 76.22 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.025 0 C-N-CA 125.413 1.485 . . . . 0.0 110.582 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.25 -41.17 97.08 Favored 'General case' 0 C--N 1.392 2.446 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.56 -40.53 84.94 Favored 'General case' 0 N--CA 1.514 2.744 0 C-N-CA 124.777 1.231 . . . . 0.0 113.623 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.3 p -70.33 -34.43 72.67 Favored 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 124.282 1.033 . . . . 0.0 112.667 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.72 -29.74 62.43 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 124.424 1.09 . . . . 0.0 112.61 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.72 -38.68 83.9 Favored 'General case' 0 N--CA 1.514 2.742 0 C-N-CA 124.601 1.16 . . . . 0.0 113.461 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.34 -32.55 70.32 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 124.997 1.319 . . . . 0.0 110.838 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.12 -29.37 60.54 Favored 'General case' 0 C--N 1.384 2.103 0 C-N-CA 125.101 1.361 . . . . 0.0 111.978 177.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -71.97 -31.85 66.69 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 125.736 1.614 . . . . 0.0 112.996 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 . . . . . 0 C--N 1.384 2.079 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 -177.484 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo . . . . . 0 N--CA 1.525 3.328 0 N-CA-C 116.629 1.742 . . . . 0.0 116.629 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.23 -34.73 20.36 Favored 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 124.076 0.951 . . . . 0.0 111.405 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.57 -37.73 49.95 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 125.029 1.332 . . . . 0.0 112.125 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -30.61 67.56 Favored 'General case' 0 C--N 1.382 2.007 0 C-N-CA 124.255 1.022 . . . . 0.0 109.803 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -38.41 87.33 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 124.524 1.14 . . . . 0.0 111.506 176.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.2 m -71.44 -41.13 69.86 Favored 'General case' 0 C--N 1.386 2.165 0 C-N-CA 123.926 0.89 . . . . 0.0 110.819 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 mt -58.84 -43.75 90.77 Favored 'General case' 0 C--N 1.388 2.266 0 O-C-N 124.422 1.076 . . . . 0.0 112.088 173.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -65.98 -39.62 90.53 Favored 'General case' 0 C--N 1.401 2.809 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 7.7 m -69.28 -38.1 78.2 Favored 'General case' 0 C--N 1.376 1.744 0 CA-C-O 117.5 -1.238 . . . . 0.0 110.307 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.5 -29.02 70.35 Favored 'General case' 0 N--CA 1.507 2.389 0 C-N-CA 123.823 0.849 . . . . 0.0 111.756 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.9 t -76.12 -45.69 35.43 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 C-N-CA 125.633 1.573 . . . . 0.0 110.843 177.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.65 -29.66 67.17 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 123.543 0.737 . . . . 0.0 111.228 175.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 12' ' ' THR . . . -66.0 -40.44 91.14 Favored 'General case' 0 N--CA 1.51 2.559 0 C-N-CA 125.855 1.662 . . . . 0.0 110.245 171.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -35.46 70.73 Favored 'General case' 0 C--N 1.382 1.98 0 C-N-CA 124.737 1.215 . . . . 0.0 110.745 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -59.82 -43.15 94.69 Favored 'General case' 0 N--CA 1.503 2.214 0 C-N-CA 127.198 2.199 . . . . 0.0 111.837 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.13 -14.07 59.35 Favored 'General case' 0 N--CA 1.504 2.268 0 C-N-CA 125.094 1.358 . . . . 0.0 114.19 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -97.6 -18.17 19.09 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.848 1.259 . . . . 0.0 109.023 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.18 15.9 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.696 0 C-N-CA 126.769 2.028 . . . . 0.0 111.046 176.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.5 -81.13 0.14 Allowed Glycine 0 N--CA 1.495 2.584 0 CA-C-O 116.391 -2.339 . . . . 0.0 114.046 -172.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.24 -3.28 9.6 Favored 'Trans proline' 1 C--N 1.423 4.497 0 CA-C-N 122.461 3.131 . . . . 0.0 114.869 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.27 -8.05 55.82 Favored 'General case' 0 C--N 1.382 2.015 0 C-N-CA 126.484 1.914 . . . . 0.0 112.772 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.022 0 C-N-CA 126.764 2.026 . . . . 0.0 116.391 178.755 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 121.837 0.827 . . . . 0.0 110.087 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -85.06 -0.86 55.85 Favored 'General case' 0 N--CA 1.5 2.065 0 CA-C-N 113.989 -1.46 . . . . 0.0 113.881 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -80.62 -21.68 41.29 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 124.277 1.031 . . . . 0.0 111.756 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 mt -90.62 -3.09 57.79 Favored 'General case' 0 C--N 1.384 2.096 0 C-N-CA 124.687 1.195 . . . . 0.0 112.13 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -122.35 156.85 33.07 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 124.506 1.123 . . . . 0.0 112.953 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.22 113.05 18.41 Favored 'General case' 0 C--N 1.376 1.746 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 t -135.84 158.97 43.1 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.69 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -106.55 48.5 0.84 Allowed 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.34 -69.79 0.47 Allowed Glycine 0 N--CA 1.489 2.224 0 N-CA-C 118.168 2.027 . . . . 0.0 118.168 170.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -175.21 63.91 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 119.056 1.428 . . . . 0.0 109.78 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -141.58 137.96 32.3 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.06 -23.58 62.17 Favored 'General case' 0 N--CA 1.525 3.291 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 171.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.1 -36.96 93.7 Favored Glycine 0 C--N 1.381 3.081 0 C-N-CA 125.353 1.454 . . . . 0.0 114.422 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.66 -23.04 42.79 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 123.754 0.821 . . . . 0.0 112.547 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -81.37 -29.69 33.94 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.77 -38.21 58.56 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 124.931 1.292 . . . . 0.0 112.933 178.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.8 -35.88 72.74 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 125.49 1.516 . . . . 0.0 112.492 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -78.79 -29.36 44.88 Favored 'General case' 0 C--N 1.377 1.795 0 C-N-CA 123.754 0.822 . . . . 0.0 110.437 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.48 -37.56 65.7 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.771 -1.559 . . . . 0.0 111.342 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -65.0 -41.52 95.32 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 125.186 1.394 . . . . 0.0 110.412 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.79 -39.8 72.95 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 125.719 1.608 . . . . 0.0 112.016 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.8 m -63.14 -37.65 88.04 Favored 'General case' 0 N--CA 1.513 2.705 0 C-N-CA 124.421 1.089 . . . . 0.0 113.674 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.7 tp -70.19 -40.87 74.36 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 124.753 1.221 . . . . 0.0 110.944 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.5 p -71.55 -29.59 64.92 Favored 'General case' 0 N--CA 1.507 2.408 0 C-N-CA 125.372 1.469 . . . . 0.0 113.407 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -76.93 -39.28 51.29 Favored 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 123.882 0.873 . . . . 0.0 113.068 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.03 -35.68 78.68 Favored 'General case' 0 N--CA 1.507 2.379 0 C-N-CA 124.923 1.289 . . . . 0.0 111.744 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -34.98 78.93 Favored 'General case' 0 C--N 1.386 2.189 0 C-N-CA 126.456 1.903 . . . . 0.0 112.143 176.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.15 -40.76 94.8 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 124.2 1.0 . . . . 0.0 112.111 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.8 -27.83 68.55 Favored 'General case' 0 C--N 1.393 2.498 0 C-N-CA 124.973 1.309 . . . . 0.0 113.244 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.32 -38.89 83.69 Favored 'Isoleucine or valine' 0 C--N 1.379 1.886 0 C-N-CA 125.31 1.444 . . . . 0.0 108.866 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -69.39 -12.24 61.49 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 125.854 1.662 . . . . 0.0 112.444 174.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -84.1 -38.99 20.07 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 171.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.06 32.19 2.27 Favored Glycine 0 C--N 1.379 2.963 0 N-CA-C 116.546 1.379 . . . . 0.0 116.546 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.24 108.61 20.21 Favored 'General case' 0 C--N 1.373 1.588 0 CA-C-O 121.772 0.796 . . . . 0.0 109.126 177.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.64 -23.39 61.68 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 113.531 -1.668 . . . . 0.0 112.462 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.6 m -71.06 -37.38 72.49 Favored 'General case' 0 CA--C 1.573 1.853 0 C-N-CA 125.06 1.344 . . . . 0.0 110.39 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.96 -22.56 58.49 Favored 'General case' 0 C--N 1.392 2.434 0 C-N-CA 124.341 1.056 . . . . 0.0 112.165 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.91 -49.26 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 126.447 1.899 . . . . 0.0 109.864 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.79 -37.15 81.64 Favored 'General case' 0 C--N 1.383 2.045 0 C-N-CA 127.074 2.15 . . . . 0.0 112.344 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.84 -45.62 91.74 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 125.575 1.55 . . . . 0.0 108.962 172.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.95 -40.18 95.83 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 124.763 1.29 . . . . 0.0 111.305 175.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.19 95.75 Favored 'General case' 0 N--CA 1.511 2.624 0 C-N-CA 124.944 1.298 . . . . 0.0 112.607 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.98 -38.04 75.92 Favored 'General case' 0 N--CA 1.519 3.013 0 C-N-CA 126.096 1.759 . . . . 0.0 111.221 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -28.9 64.12 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 125.484 1.514 . . . . 0.0 110.571 173.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.15 -45.56 66.52 Favored 'General case' 0 C--N 1.379 1.851 0 C-N-CA 124.192 0.997 . . . . 0.0 111.443 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.45 -40.25 81.18 Favored 'General case' 0 C--N 1.388 2.264 0 C-N-CA 125.369 1.468 . . . . 0.0 112.752 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.28 84.48 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 125.928 1.691 . . . . 0.0 111.89 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -73.59 -27.12 61.13 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 123.883 0.873 . . . . 0.0 112.369 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 33.2 mt -63.07 -46.35 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -67.37 -46.68 72.61 Favored 'General case' 0 N--CA 1.502 2.143 0 C-N-CA 124.718 1.207 . . . . 0.0 112.497 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.04 -44.17 61.11 Favored 'General case' 0 C--N 1.376 1.75 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.67 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 75.1 mt -85.88 -45.93 11.08 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -175.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 50.7 mt-30 -65.92 -36.89 84.61 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 124.047 0.842 . . . . 0.0 113.026 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -76.0 -38.85 56.87 Favored 'General case' 0 CA--C 1.588 2.411 0 C-N-CA 124.556 1.142 . . . . 0.0 113.771 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -77.19 -26.14 52.55 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-N 119.534 1.061 . . . . 0.0 109.519 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -78.51 -23.83 46.12 Favored 'General case' 0 C--N 1.385 2.117 0 C-N-CA 125.776 1.63 . . . . 0.0 110.451 174.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.44 96.89 Favored 'General case' 0 C--N 1.413 3.341 0 C-N-CA 123.693 0.797 . . . . 0.0 112.957 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -77.79 -29.38 50.78 Favored 'General case' 0 C--N 1.391 2.411 0 C-N-CA 124.58 1.152 . . . . 0.0 111.174 175.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.88 -25.49 56.97 Favored 'General case' 0 C--N 1.389 2.291 0 C-N-CA 123.978 0.911 . . . . 0.0 113.033 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -57.64 -17.67 15.98 Favored 'General case' 0 C--N 1.415 3.444 0 C-N-CA 126.007 1.723 . . . . 0.0 113.078 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.526 3.333 0 C-N-CA 127.116 2.166 . . . . 0.0 114.442 174.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.572 1.817 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 64.0 mt -71.48 -35.4 70.79 Favored 'General case' 0 C--N 1.391 2.412 0 C-N-CA 124.701 1.2 . . . . 0.0 113.052 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -68.64 -34.3 75.48 Favored 'General case' 0 C--N 1.381 1.936 0 C-N-CA 125.237 1.415 . . . . 0.0 111.401 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -65.15 -36.03 82.96 Favored 'General case' 0 C--N 1.387 2.21 0 C-N-CA 125.497 1.519 . . . . 0.0 110.796 173.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.489 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -72.1 -50.35 28.78 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 123.814 0.845 . . . . 0.0 110.82 175.53 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.39 -62.04 1.85 Allowed 'General case' 0 CA--C 1.596 2.723 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.53 -43.47 20.67 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 117.032 2.234 . . . . 0.0 117.032 -176.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 38.1 mt-10 -71.54 -33.62 69.31 Favored 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.489 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 7.4 m-85 -68.41 -38.92 81.73 Favored 'General case' 0 C--N 1.39 2.345 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.783 177.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -64.32 -38.48 91.2 Favored 'General case' 0 C--N 1.395 2.561 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -67.13 -42.32 84.62 Favored 'General case' 0 N--CA 1.516 2.866 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -70.61 -35.11 72.8 Favored 'General case' 0 N--CA 1.506 2.334 0 C-N-CA 124.243 1.017 . . . . 0.0 112.116 178.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 31.9 mt-10 -67.95 -35.71 78.86 Favored 'General case' 0 C--N 1.382 2.02 0 C-N-CA 125.168 1.387 . . . . 0.0 111.784 176.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -59.69 -50.22 74.68 Favored 'General case' 0 C--N 1.39 2.361 0 C-N-CA 125.918 1.687 . . . . 0.0 114.571 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -72.36 -39.96 67.68 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 20.1 mt -61.28 -33.46 73.58 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 123.671 0.607 . . . . 0.0 110.555 175.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -70.58 -35.24 72.93 Favored 'General case' 0 C--N 1.377 1.794 0 C-N-CA 125.225 1.41 . . . . 0.0 111.955 176.183 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.1 -39.61 90.1 Favored 'General case' 0 C--N 1.408 3.148 0 C-N-CA 125.582 1.553 . . . . 0.0 112.547 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 59.7 mtt -64.47 -39.58 94.08 Favored 'General case' 0 C--N 1.386 2.183 0 O-C-N 124.817 1.323 . . . . 0.0 110.67 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -68.87 -38.93 80.03 Favored 'General case' 0 C--N 1.383 2.055 0 C-N-CA 125.017 1.327 . . . . 0.0 110.534 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -66.49 -35.71 80.94 Favored 'General case' 0 C--N 1.399 2.746 0 C-N-CA 124.962 1.305 . . . . 0.0 114.505 -178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.45 -39.76 85.36 Favored 'General case' 0 N--CA 1.507 2.411 0 C-N-CA 124.373 1.069 . . . . 0.0 110.923 176.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -75.74 -23.78 56.04 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 124.606 1.162 . . . . 0.0 112.647 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -69.15 -36.86 77.87 Favored 'General case' 0 N--CA 1.516 2.826 0 C-N-CA 125.195 1.398 . . . . 0.0 111.21 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -67.2 -38.67 85.72 Favored 'General case' 0 C--N 1.384 2.097 0 C-N-CA 124.9 1.28 . . . . 0.0 110.712 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.93 -36.41 75.3 Favored 'General case' 0 C--N 1.391 2.379 0 C-N-CA 124.864 1.266 . . . . 0.0 111.858 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -70.14 -34.52 73.16 Favored 'General case' 0 C--N 1.389 2.321 0 C-N-CA 125.066 1.347 . . . . 0.0 111.757 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.42 -38.34 89.63 Favored 'General case' 0 CA--C 1.572 1.811 0 C-N-CA 125.22 1.408 . . . . 0.0 113.273 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -90.82 -38.9 12.67 Favored 'General case' 0 C--N 1.387 2.199 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -106.83 -29.98 9.18 Favored 'General case' 0 C--N 1.394 2.532 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 55.99 26.17 9.64 Favored 'General case' 0 N--CA 1.531 3.621 0 C-N-CA 127.519 2.328 . . . . 0.0 116.569 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.17 137.92 60.62 Favored Pre-proline 0 N--CA 1.503 2.182 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -56.74 -14.88 14.67 Favored 'Trans proline' 1 C--N 1.438 5.283 0 C-N-CA 124.808 3.672 . . . . 0.0 116.748 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -68.73 -37.76 79.68 Favored 'General case' 0 N--CA 1.527 3.413 0 C-N-CA 124.396 1.078 . . . . 0.0 113.273 -177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -77.83 -29.68 50.68 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 126.692 1.997 . . . . 0.0 109.988 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.42 -37.02 77.24 Favored 'General case' 0 C--N 1.375 1.716 0 C-N-CA 126.779 2.032 . . . . 0.0 110.394 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.64 -33.18 70.71 Favored 'General case' 0 C--N 1.381 1.937 0 C-N-CA 124.112 0.965 . . . . 0.0 110.738 173.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.33 -42.58 65.22 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 125.085 1.354 . . . . 0.0 114.007 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 6.6 mt -66.35 -43.18 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.233 0 C-N-CA 125.274 1.429 . . . . 0.0 109.069 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.3 m -62.59 -42.49 99.59 Favored 'General case' 0 CA--C 1.588 2.417 0 C-N-CA 126.059 1.744 . . . . 0.0 111.558 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.01 95.98 Favored 'General case' 0 N--CA 1.512 2.65 0 C-N-CA 124.576 1.15 . . . . 0.0 112.492 175.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 21.8 mt -73.53 -27.6 61.44 Favored 'General case' 0 C--N 1.38 1.912 0 C-N-CA 125.061 1.345 . . . . 0.0 111.974 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -37.91 88.36 Favored 'General case' 0 C--N 1.39 2.344 0 C-N-CA 126.22 1.808 . . . . 0.0 112.439 177.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -75.18 -34.87 61.59 Favored 'General case' 0 C--N 1.39 2.363 0 C-N-CA 125.139 1.376 . . . . 0.0 109.954 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -70.46 -34.98 73.04 Favored 'General case' 0 C--N 1.386 2.179 0 C-N-CA 125.626 1.57 . . . . 0.0 112.613 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.46 -38.7 91.93 Favored 'General case' 0 C--N 1.381 1.961 0 C-N-CA 124.332 1.053 . . . . 0.0 109.999 174.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.7 p -77.36 -39.04 48.85 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 123.94 0.775 . . . . 0.0 112.814 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -70.69 -37.56 73.61 Favored 'General case' 0 N--CA 1.514 2.74 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 88.8 m -71.52 -38.38 71.1 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 123.767 0.827 . . . . 0.0 111.65 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -64.0 -38.13 89.96 Favored 'General case' 0 C--N 1.391 2.388 0 C-N-CA 125.294 1.437 . . . . 0.0 113.369 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 27.5 m -67.68 -40.63 84.42 Favored 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 125.263 1.425 . . . . 0.0 110.235 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.89 -37.88 79.3 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 125.963 1.705 . . . . 0.0 112.589 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 13.0 mt -70.24 -40.01 77.49 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.863 0 C-N-CA 126.291 1.837 . . . . 0.0 110.62 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.0 98.87 Favored 'General case' 0 C--N 1.389 2.308 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.39 -41.28 66.47 Favored 'General case' 0 N--CA 1.507 2.424 0 C-N-CA 124.553 1.141 . . . . 0.0 114.078 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.7 p -72.15 -38.57 69.17 Favored 'General case' 0 N--CA 1.509 2.499 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -74.34 -36.18 63.64 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 123.824 0.85 . . . . 0.0 113.189 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -68.17 -38.53 82.18 Favored 'General case' 0 N--CA 1.51 2.53 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -71.1 -37.19 72.39 Favored 'General case' 0 C--N 1.374 1.638 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.811 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.12 -33.84 68.13 Favored 'General case' 0 C--N 1.389 2.302 0 C-N-CA 125.567 1.547 . . . . 0.0 112.735 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.15 -23.61 59.29 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 124.651 1.18 . . . . 0.0 112.887 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.381 1.964 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 N--CA 1.521 3.122 0 N-CA-C 114.462 0.909 . . . . 0.0 114.462 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.63 -44.55 6.4 Favored 'General case' 0 N--CA 1.503 2.184 0 C-N-CA 123.586 0.754 . . . . 0.0 112.092 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -36.8 57.61 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 125.057 1.343 . . . . 0.0 112.203 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.32 -31.46 68.78 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 124.441 1.096 . . . . 0.0 110.524 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -69.43 -35.69 75.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 124.361 1.038 . . . . 0.0 111.394 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -72.36 -40.97 66.94 Favored 'General case' 0 C--N 1.387 2.235 0 C-N-CA 124.108 0.963 . . . . 0.0 111.015 176.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.8 -44.41 86.28 Favored 'General case' 0 C--N 1.392 2.419 0 O-C-N 124.344 1.028 . . . . 0.0 111.965 173.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -65.57 -39.07 91.25 Favored 'General case' 0 C--N 1.396 2.612 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.418 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 5.5 m -68.89 -38.79 79.86 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.744 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.7 -30.6 71.53 Favored 'General case' 0 N--CA 1.509 2.487 0 C-N-CA 124.704 1.202 . . . . 0.0 111.986 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.8 t -75.26 -46.16 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 C-N-CA 125.251 1.42 . . . . 0.0 110.415 177.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.68 68.98 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 123.755 0.822 . . . . 0.0 111.453 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' HD21 ' A' ' 20' ' ' LEU . . . -64.63 -42.75 95.27 Favored 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 125.49 1.516 . . . . 0.0 110.427 172.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.11 -35.42 74.12 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 124.208 1.003 . . . . 0.0 110.637 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -61.04 -39.6 90.42 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 127.543 2.337 . . . . 0.0 111.977 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.84 -15.96 59.57 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 176.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 16' ' ' ALA . 3.0 mm? -97.52 -19.04 18.63 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.956 1.302 . . . . 0.0 110.168 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.17 10.41 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 C-N-CA 126.976 2.11 . . . . 0.0 113.456 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.32 -75.55 1.2 Allowed Glycine 0 N--CA 1.488 2.112 0 CA-C-O 117.098 -1.946 . . . . 0.0 113.99 -171.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -60.2 -19.02 55.13 Favored 'Trans proline' 1 C--N 1.42 4.313 0 CA-C-N 121.068 2.434 . . . . 0.0 114.471 176.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mp -72.35 -38.82 68.48 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 124.775 1.23 . . . . 0.0 112.993 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.393 2.491 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 179.152 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 122.361 1.076 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -82.24 -14.52 55.38 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 112.933 -1.94 . . . . 0.0 113.915 -176.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -81.31 -28.33 34.65 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 123.455 0.702 . . . . 0.0 111.584 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mt -98.03 -1.04 43.47 Favored 'General case' 0 C--N 1.385 2.146 0 C-N-CA 124.071 0.948 . . . . 0.0 112.451 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -120.56 153.94 36.06 Favored 'General case' 0 C--N 1.38 1.894 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.37 112.82 18.56 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.3 t -134.58 158.47 43.93 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.148 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -111.81 22.29 15.1 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 124.398 1.079 . . . . 0.0 112.924 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.28 85.89 0.63 Allowed Glycine 0 C--N 1.362 1.972 0 CA-C-O 117.528 -1.707 . . . . 0.0 117.222 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 27.59 59.76 0.1 Allowed 'General case' 0 N--CA 1.531 3.586 0 N-CA-C 117.282 2.327 . . . . 0.0 117.282 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -131.79 133.5 44.79 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.83 -27.62 63.03 Favored 'General case' 0 N--CA 1.512 2.674 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 170.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.63 -36.93 93.39 Favored Glycine 0 C--N 1.385 3.27 0 CA-C-N 113.924 -1.489 . . . . 0.0 114.418 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.98 -25.81 40.2 Favored 'General case' 0 C--N 1.395 2.57 0 C-N-CA 123.206 0.602 . . . . 0.0 112.043 -177.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -81.93 -29.64 32.19 Favored 'General case' 0 N--CA 1.505 2.315 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.385 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.14 -35.77 61.62 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 124.794 1.238 . . . . 0.0 111.876 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -30.37 67.65 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 125.362 1.465 . . . . 0.0 111.393 177.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.39 -31.25 37.81 Favored 'General case' 0 C--N 1.382 2.008 0 C-N-CA 123.659 0.784 . . . . 0.0 109.13 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.32 -40.48 64.44 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 114.208 -1.36 . . . . 0.0 112.256 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.54 -35.48 75.47 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 124.792 1.237 . . . . 0.0 110.911 175.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.26 -26.64 61.19 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 125.88 1.672 . . . . 0.0 112.493 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.2 m -78.39 -28.41 46.98 Favored 'General case' 0 C--N 1.386 2.187 0 C-N-CA 123.723 0.809 . . . . 0.0 110.553 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.4 -40.99 66.76 Favored 'General case' 0 C--N 1.385 2.109 0 C-N-CA 124.184 0.994 . . . . 0.0 110.888 176.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.5 p -70.93 -32.13 68.95 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 125.809 1.644 . . . . 0.0 113.943 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -76.94 -40.59 46.54 Favored 'General case' 0 N--CA 1.513 2.714 0 CA-C-N 118.961 0.8 . . . . 0.0 112.942 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.69 -31.76 71.1 Favored 'General case' 0 C--N 1.39 2.342 0 C-N-CA 124.739 1.215 . . . . 0.0 111.43 177.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.21 -33.53 75.96 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 126.188 1.795 . . . . 0.0 111.45 175.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.15 90.02 Favored 'General case' 0 C--N 1.391 2.393 0 O-C-N 124.111 0.882 . . . . 0.0 112.591 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.09 -29.85 66.93 Favored 'General case' 0 C--N 1.391 2.407 0 C-N-CA 123.62 0.768 . . . . 0.0 112.26 173.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.49 -40.26 83.76 Favored 'Isoleucine or valine' 0 C--N 1.389 2.283 0 C-N-CA 125.804 1.641 . . . . 0.0 109.376 175.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -52.36 -33.22 42.02 Favored 'General case' 0 C--N 1.394 2.538 0 O-C-N 125.195 1.56 . . . . 0.0 113.285 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -70.19 -37.9 75.22 Favored 'General case' 0 C--N 1.401 2.829 0 C-N-CA 125.379 1.472 . . . . 0.0 112.447 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.77 35.09 2.09 Favored Glycine 0 C--N 1.372 2.562 0 N-CA-C 115.793 1.077 . . . . 0.0 115.793 175.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.7 113.35 25.42 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-O 121.805 0.812 . . . . 0.0 109.153 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.51 -29.17 65.6 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 113.135 -1.848 . . . . 0.0 113.203 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.9 m -71.75 -38.01 70.46 Favored 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 124.851 1.26 . . . . 0.0 111.265 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -75.32 -22.66 57.48 Favored 'General case' 0 N--CA 1.507 2.424 0 C-N-CA 123.734 0.814 . . . . 0.0 112.306 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.0 t -76.6 -47.69 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 126.183 1.793 . . . . 0.0 109.861 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.73 -37.46 82.21 Favored 'General case' 0 C--N 1.386 2.169 0 C-N-CA 127.319 2.248 . . . . 0.0 112.636 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -41.47 97.27 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 126.15 1.78 . . . . 0.0 110.127 173.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.422 ' O ' HD22 ' A' ' 75' ' ' LEU . 2.1 tt -72.85 -37.85 67.25 Favored 'General case' 0 CA--C 1.573 1.83 0 C-N-CA 124.849 1.26 . . . . 0.0 109.729 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.27 99.24 Favored 'General case' 0 N--CA 1.515 2.778 0 C-N-CA 124.641 1.176 . . . . 0.0 112.257 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -72.17 -37.07 69.42 Favored 'General case' 0 N--CA 1.515 2.792 0 C-N-CA 126.204 1.802 . . . . 0.0 111.506 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -71.34 -30.33 66.06 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 125.078 1.351 . . . . 0.0 110.578 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.06 -43.22 65.26 Favored 'General case' 0 C--N 1.374 1.662 0 C-N-CA 124.496 1.118 . . . . 0.0 112.522 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.26 -40.57 81.87 Favored 'General case' 0 C--N 1.387 2.224 0 C-N-CA 124.891 1.276 . . . . 0.0 112.524 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.39 -37.78 83.65 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 126.404 1.882 . . . . 0.0 112.177 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -73.36 -27.81 61.69 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 123.889 0.876 . . . . 0.0 112.413 176.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.553 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 27.4 mt -62.22 -46.26 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.529 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.3 mt-10 -66.15 -45.04 82.38 Favored 'General case' 0 N--CA 1.506 2.337 0 C-N-CA 124.799 1.24 . . . . 0.0 112.377 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.34 -44.71 58.3 Favored 'General case' 0 C--N 1.377 1.78 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -177.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 72.7 mt -86.21 -43.21 13.17 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -175.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.553 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 18.6 mt-30 -67.77 -38.17 83.04 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 123.819 0.7 . . . . 0.0 111.964 178.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 7.3 mtt180 -79.17 -38.29 36.28 Favored 'General case' 0 C--N 1.388 2.282 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -72.4 -31.7 65.76 Favored 'General case' 0 N--CA 1.514 2.755 0 CA-C-N 119.316 0.962 . . . . 0.0 110.311 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 86' ' ' LEU . . . -75.3 -29.21 60.01 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 124.072 0.949 . . . . 0.0 110.306 174.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.474 ' HB1' ' O ' ' A' ' 87' ' ' GLN . . . -70.63 -36.43 73.44 Favored 'General case' 0 C--N 1.408 3.11 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.5 p -85.67 -22.4 27.9 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.322 1.049 . . . . 0.0 110.737 177.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.01 -28.47 57.79 Favored 'General case' 0 C--N 1.388 2.264 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.495 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -77.97 -9.03 58.9 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 125.671 1.589 . . . . 0.0 113.388 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 179.356 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 . . . . . 0 N--CA 1.511 2.606 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -27.04 60.38 Favored 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 126.182 1.793 . . . . 0.0 112.914 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -67.22 -35.67 80.08 Favored 'General case' 0 C--N 1.379 1.873 0 C-N-CA 125.536 1.535 . . . . 0.0 110.367 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.18 -35.79 81.38 Favored 'General case' 0 C--N 1.393 2.46 0 C-N-CA 126.082 1.753 . . . . 0.0 111.052 173.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.692 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -71.46 -44.11 65.39 Favored 'General case' 0 C--N 1.377 1.794 0 C-N-CA 123.63 0.772 . . . . 0.0 110.962 174.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -60.73 3.35 Favored 'General case' 0 CA--C 1.599 2.853 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 177.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.24 -48.02 9.51 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -175.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 40.7 mt-10 -71.32 -34.98 71.06 Favored 'General case' 0 N--CA 1.512 2.652 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -178.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.692 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 4.1 m-85 -68.57 -38.47 80.76 Favored 'General case' 0 C--N 1.396 2.589 0 CA-C-N 118.768 0.713 . . . . 0.0 111.806 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -66.17 -33.94 76.9 Favored 'General case' 0 C--N 1.397 2.649 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.82 -42.3 95.08 Favored 'General case' 0 N--CA 1.518 2.957 0 C-N-CA 124.727 1.211 . . . . 0.0 112.964 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -70.0 -36.25 74.99 Favored 'General case' 0 C--N 1.388 2.246 0 C-N-CA 124.935 1.294 . . . . 0.0 112.257 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -69.09 -35.01 76.0 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 125.09 1.356 . . . . 0.0 111.806 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -62.03 -45.77 92.1 Favored 'General case' 0 C--N 1.39 2.336 0 C-N-CA 125.771 1.628 . . . . 0.0 113.169 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -72.77 -41.29 65.2 Favored 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.76 -33.76 73.44 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 118.283 0.492 . . . . 0.0 110.407 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -32.94 68.58 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 124.984 1.314 . . . . 0.0 112.849 176.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.49 87.7 Favored 'General case' 0 C--N 1.399 2.754 0 C-N-CA 124.966 1.307 . . . . 0.0 111.913 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.6 mtt -65.53 -38.66 90.3 Favored 'General case' 0 C--N 1.393 2.472 0 O-C-N 125.307 1.63 . . . . 0.0 110.764 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -69.51 -39.39 77.58 Favored 'General case' 0 C--N 1.383 2.054 0 C-N-CA 124.678 1.191 . . . . 0.0 111.211 177.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -74.0 -46.61 42.54 Favored 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.45 -41.36 72.92 Favored 'General case' 0 N--CA 1.51 2.552 0 C-N-CA 124.105 0.962 . . . . 0.0 113.538 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.73 -36.7 76.08 Favored 'General case' 0 C--N 1.382 2.016 0 C-N-CA 124.224 1.01 . . . . 0.0 112.782 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.601 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 0.3 OUTLIER -78.23 -21.14 50.4 Favored 'General case' 0 C--N 1.384 2.068 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -74.37 -53.15 10.21 Favored 'General case' 0 C--O 1.273 2.304 0 CA-C-N 118.987 0.812 . . . . 0.0 112.97 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -72.3 -34.3 68.04 Favored 'General case' 0 C--N 1.391 2.376 0 CA-C-N 114.469 -1.242 . . . . 0.0 111.826 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -87.95 -9.96 51.97 Favored 'General case' 0 CA--C 1.577 1.988 0 C-N-CA 124.235 1.014 . . . . 0.0 112.934 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 130' ' ' GLU . . . -63.97 -31.08 72.14 Favored 'General case' 0 N--CA 1.523 3.213 0 C-N-CA 124.854 1.262 . . . . 0.0 110.057 174.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -67.74 -14.87 63.31 Favored 'General case' 0 CA--C 1.583 2.248 0 C-N-CA 125.706 1.602 . . . . 0.0 113.691 175.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -96.49 -28.43 14.41 Favored 'General case' 0 C--N 1.393 2.469 0 C-N-CA 124.876 1.271 . . . . 0.0 109.675 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.93 33.68 17.85 Favored 'General case' 0 N--CA 1.522 3.172 0 C-N-CA 128.307 2.643 . . . . 0.0 115.632 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.21 142.7 36.03 Favored Pre-proline 0 CA--C 1.577 2.005 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -65.91 -11.06 29.27 Favored 'Trans proline' 1 C--N 1.425 4.597 0 C-N-CA 123.638 2.892 . . . . 0.0 116.41 177.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -69.85 -33.37 72.18 Favored 'General case' 0 N--CA 1.529 3.487 0 C-N-CA 124.461 1.104 . . . . 0.0 113.903 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -78.48 -30.35 47.28 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.317 1.847 . . . . 0.0 109.998 -178.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.45 70.55 Favored 'General case' 0 C--N 1.381 1.95 0 C-N-CA 124.826 1.25 . . . . 0.0 109.307 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -72.63 -30.87 64.69 Favored 'General case' 0 CA--C 1.58 2.12 0 C-N-CA 124.31 1.044 . . . . 0.0 111.344 173.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -77.24 -44.65 29.13 Favored 'General case' 0 C--N 1.399 2.725 0 C-N-CA 124.908 1.283 . . . . 0.0 113.622 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.2 mp -67.9 -42.25 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 C-N-CA 126.659 1.983 . . . . 0.0 111.827 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 36.7 m -62.95 -39.69 95.38 Favored 'General case' 0 CA--C 1.584 2.254 0 C-N-CA 125.712 1.605 . . . . 0.0 110.739 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.67 92.72 Favored 'General case' 0 N--CA 1.509 2.489 0 C-N-CA 124.833 1.253 . . . . 0.0 112.127 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.74 -28.53 62.7 Favored 'General case' 0 C--N 1.384 2.076 0 C-N-CA 125.126 1.371 . . . . 0.0 111.496 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.49 -31.98 69.32 Favored 'General case' 0 C--N 1.393 2.469 0 C-N-CA 126.074 1.75 . . . . 0.0 111.54 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -76.06 -34.69 59.6 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 125.661 1.584 . . . . 0.0 109.659 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -71.81 -33.55 68.62 Favored 'General case' 0 C--N 1.386 2.17 0 C-N-CA 125.446 1.499 . . . . 0.0 112.741 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.3 -40.75 94.19 Favored 'General case' 0 C--N 1.38 1.9 0 C-N-CA 124.73 1.212 . . . . 0.0 109.781 174.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.4 p -76.12 -38.47 56.81 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 124.079 0.862 . . . . 0.0 112.74 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -74.22 -27.86 60.98 Favored 'General case' 0 N--CA 1.514 2.775 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t -74.15 -40.01 62.88 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 124.136 0.974 . . . . 0.0 110.783 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -30.85 65.61 Favored 'General case' 0 N--CA 1.504 2.242 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.99 -50.33 13.41 Favored 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.03 83.98 Favored 'General case' 0 C--N 1.375 1.717 0 C-N-CA 125.422 1.489 . . . . 0.0 112.877 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 20.2 mt -71.49 -37.28 63.71 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.986 0 C-N-CA 124.724 1.21 . . . . 0.0 111.02 176.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.0 99.63 Favored 'General case' 0 C--N 1.396 2.625 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -72.8 -45.91 56.01 Favored 'General case' 0 N--CA 1.51 2.54 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 21.3 p -74.63 -42.67 58.16 Favored 'General case' 0 N--CA 1.509 2.496 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -74.61 -35.73 62.94 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.88 -32.89 70.01 Favored 'General case' 0 N--CA 1.512 2.641 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.95 -36.05 72.44 Favored 'General case' 0 C--N 1.38 1.904 0 O-C-N 124.517 1.135 . . . . 0.0 110.56 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.8 mt -71.96 -36.26 69.79 Favored 'General case' 0 C--N 1.391 2.398 0 C-N-CA 125.515 1.526 . . . . 0.0 111.793 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -73.12 -21.55 60.71 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 125.407 1.483 . . . . 0.0 113.363 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.378 1.82 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 N--CA 1.527 3.474 0 N-CA-C 114.319 0.853 . . . . 0.0 114.319 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt -98.52 -43.44 6.87 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 123.355 0.662 . . . . 0.0 112.426 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.56 -35.57 58.13 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 125.232 1.413 . . . . 0.0 112.257 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -31.97 68.57 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 124.663 1.185 . . . . 0.0 111.027 178.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -69.04 -37.38 78.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 124.802 1.314 . . . . 0.0 111.683 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.0 m -71.4 -41.21 69.87 Favored 'General case' 0 C--N 1.387 2.212 0 C-N-CA 123.598 0.759 . . . . 0.0 111.023 176.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -57.49 -44.7 85.15 Favored 'General case' 0 C--N 1.39 2.368 0 O-C-N 124.445 1.091 . . . . 0.0 112.277 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -65.37 -40.06 93.08 Favored 'General case' 0 C--N 1.396 2.614 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.506 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 3.7 m -69.67 -37.32 76.64 Favored 'General case' 0 C--N 1.377 1.767 0 CA-C-O 117.398 -1.287 . . . . 0.0 110.839 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.71 -30.54 71.49 Favored 'General case' 0 N--CA 1.509 2.504 0 C-N-CA 123.934 0.894 . . . . 0.0 111.889 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.58 -46.73 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.421 0 C-N-CA 125.251 1.421 . . . . 0.0 110.912 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.23 -28.07 64.97 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 123.632 0.773 . . . . 0.0 111.581 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 12' ' ' THR . . . -64.76 -39.97 94.51 Favored 'General case' 0 N--CA 1.513 2.683 0 C-N-CA 125.974 1.71 . . . . 0.0 110.546 170.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -71.65 -34.73 70.0 Favored 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 124.889 1.275 . . . . 0.0 111.299 176.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -61.47 -42.95 99.57 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 126.92 2.088 . . . . 0.0 112.22 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.78 -17.49 47.47 Favored 'General case' 0 N--CA 1.513 2.69 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mp -94.39 -13.63 26.11 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 126.137 1.775 . . . . 0.0 111.507 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.0 mt -110.01 -22.43 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.344 0 C-N-CA 124.923 1.289 . . . . 0.0 108.568 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -22.51 -86.05 0.01 OUTLIER Glycine 0 C--N 1.39 3.563 0 C-N-CA 128.48 2.943 . . . . 0.0 118.82 -175.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.47 -15.9 38.45 Favored 'Trans proline' 0 C--N 1.41 3.775 0 CA-C-N 121.448 2.624 . . . . 0.0 117.337 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.76 -41.86 64.62 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 -177.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.597 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 178.296 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 122.271 1.034 . . . . 0.0 112.766 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -85.19 -3.11 58.7 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-N 112.885 -1.961 . . . . 0.0 113.868 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -80.27 -30.55 38.39 Favored 'General case' 0 C--N 1.377 1.792 0 C-N-CA 122.991 0.517 . . . . 0.0 111.672 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.53 -1.29 44.32 Favored 'General case' 0 C--N 1.387 2.228 0 O-C-N 123.793 0.683 . . . . 0.0 112.515 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.51 153.97 35.96 Favored 'General case' 0 C--N 1.38 1.927 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.51 105.65 9.56 Favored 'General case' 0 C--N 1.382 2.012 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 173.13 176.38 0.11 Allowed 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 112.968 -1.924 . . . . 0.0 108.908 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -83.77 -38.77 20.89 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.28 83.4 0.06 OUTLIER Glycine 0 N--CA 1.509 3.565 0 N-CA-C 119.909 2.724 . . . . 0.0 119.909 170.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.23 -23.59 2.4 Favored 'General case' 0 CA--C 1.565 1.546 0 CA-C-N 119.518 1.659 . . . . 0.0 108.398 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.464 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 74.5 ttt180 -120.03 151.96 38.22 Favored 'General case' 0 C--N 1.394 2.537 0 C-N-CA 125.959 1.703 . . . . 0.0 110.573 -178.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.21 -17.48 62.51 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 124.089 0.956 . . . . 0.0 111.428 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.464 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.23 -42.93 95.63 Favored Glycine 0 C--N 1.389 3.481 0 C-N-CA 124.37 0.986 . . . . 0.0 114.397 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -75.34 -24.43 57.35 Favored 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 124.495 1.118 . . . . 0.0 112.387 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -81.95 -30.28 31.8 Favored 'General case' 0 N--CA 1.5 2.054 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.989 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.42 -38.0 56.22 Favored 'General case' 0 C--N 1.372 1.549 0 C-N-CA 125.311 1.445 . . . . 0.0 112.507 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -31.16 70.59 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 125.36 1.464 . . . . 0.0 111.326 177.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -78.97 -29.56 43.97 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 123.555 0.742 . . . . 0.0 109.854 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.13 -38.73 69.18 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 113.822 -1.535 . . . . 0.0 111.539 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.26 -40.53 94.07 Favored 'General case' 0 N--CA 1.507 2.387 0 C-N-CA 125.083 1.353 . . . . 0.0 110.635 174.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.68 -25.85 61.4 Favored 'General case' 0 C--N 1.38 1.897 0 C-N-CA 126.677 1.991 . . . . 0.0 113.684 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.9 m -78.74 -32.24 46.63 Favored 'General case' 0 N--CA 1.501 2.116 0 C-N-CA 123.499 0.719 . . . . 0.0 110.378 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.6 tp -73.2 -41.08 64.22 Favored 'General case' 0 C--N 1.383 2.054 0 C-N-CA 125.083 1.353 . . . . 0.0 110.574 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.6 p -71.02 -31.28 67.73 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 125.348 1.459 . . . . 0.0 113.393 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -76.33 -38.36 56.05 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 123.821 0.848 . . . . 0.0 113.019 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.39 -33.79 73.57 Favored 'General case' 0 C--N 1.389 2.318 0 C-N-CA 124.394 1.078 . . . . 0.0 111.44 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -34.14 77.28 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 126.38 1.872 . . . . 0.0 111.717 176.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.38 94.64 Favored 'General case' 0 C--N 1.39 2.363 0 C-N-CA 124.251 1.02 . . . . 0.0 111.93 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.33 -27.47 67.16 Favored 'General case' 0 C--N 1.395 2.571 0 C-N-CA 124.788 1.235 . . . . 0.0 112.951 174.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 76.9 t -64.34 -40.19 88.18 Favored 'Isoleucine or valine' 0 C--N 1.382 1.986 0 C-N-CA 125.671 1.588 . . . . 0.0 108.597 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -67.63 -15.82 63.85 Favored 'General case' 0 N--CA 1.508 2.448 0 C-N-CA 126.13 1.772 . . . . 0.0 112.386 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -80.28 -38.72 30.26 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 171.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.98 30.02 3.11 Favored Glycine 0 C--N 1.38 2.976 0 N-CA-C 116.295 1.278 . . . . 0.0 116.295 171.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.13 112.54 24.06 Favored 'General case' 0 C--N 1.376 1.742 0 CA-C-O 121.906 0.86 . . . . 0.0 109.851 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.88 -27.74 64.03 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 113.16 -1.836 . . . . 0.0 112.965 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.45 -30.79 63.42 Favored 'General case' 0 CA--C 1.578 2.023 0 C-N-CA 123.415 0.686 . . . . 0.0 112.137 176.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -77.91 -22.7 49.27 Favored 'General case' 0 C--N 1.394 2.517 0 C-N-CA 124.263 1.025 . . . . 0.0 112.057 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.5 t -76.84 -48.36 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 126.168 1.787 . . . . 0.0 109.508 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.53 84.64 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 127.479 2.312 . . . . 0.0 112.512 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.92 -44.75 95.22 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 125.358 1.463 . . . . 0.0 109.086 172.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.12 -39.56 94.29 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 124.671 1.232 . . . . 0.0 111.188 174.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.36 95.05 Favored 'General case' 0 N--CA 1.513 2.721 0 C-N-CA 125.198 1.399 . . . . 0.0 112.585 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -70.19 -36.74 74.82 Favored 'General case' 0 N--CA 1.519 3.009 0 C-N-CA 126.069 1.748 . . . . 0.0 110.704 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.4 -29.48 64.97 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 125.667 1.587 . . . . 0.0 110.653 173.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.43 -45.7 65.35 Favored 'General case' 0 CA--C 1.573 1.843 0 C-N-CA 124.806 1.242 . . . . 0.0 111.781 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.29 -39.76 81.99 Favored 'General case' 0 C--N 1.387 2.235 0 C-N-CA 125.097 1.359 . . . . 0.0 112.823 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.02 -36.69 82.69 Favored 'General case' 0 C--N 1.387 2.211 0 C-N-CA 126.003 1.721 . . . . 0.0 112.082 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -74.1 -27.58 60.95 Favored 'General case' 0 C--N 1.376 1.728 0 C-N-CA 123.719 0.807 . . . . 0.0 112.627 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 32.8 mt -62.95 -46.03 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.463 0 O-C-N 123.504 0.502 . . . . 0.0 109.734 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.71 -44.73 80.89 Favored 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 124.507 1.123 . . . . 0.0 112.182 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.77 -44.23 56.66 Favored 'General case' 0 C--N 1.378 1.832 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -177.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -85.58 -44.38 12.69 Favored 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -175.257 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.474 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 35.0 mt-30 -67.62 -38.67 84.24 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 123.927 0.767 . . . . 0.0 112.661 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -79.07 -39.02 34.9 Favored 'General case' 0 C--N 1.388 2.268 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -73.3 -31.19 63.89 Favored 'General case' 0 N--CA 1.514 2.768 0 CA-C-N 118.791 0.723 . . . . 0.0 110.627 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 86' ' ' LEU . . . -74.74 -29.15 61.07 Favored 'General case' 0 C--N 1.386 2.171 0 C-N-CA 123.775 0.83 . . . . 0.0 109.372 174.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.474 ' HB1' ' O ' ' A' ' 87' ' ' GLN . . . -70.26 -30.67 67.78 Favored 'General case' 0 C--N 1.412 3.299 0 C-N-CA 125.051 1.34 . . . . 0.0 114.411 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.1 p -88.66 -21.32 24.0 Favored 'General case' 0 N--CA 1.503 2.175 0 CA-C-N 119.648 1.113 . . . . 0.0 110.114 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.7 -16.84 59.4 Favored 'General case' 0 C--N 1.386 2.154 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.231 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 38.9 p -61.84 -29.28 70.07 Favored 'General case' 0 C--N 1.405 2.992 0 C-N-CA 125.717 1.607 . . . . 0.0 113.679 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 N--CA 1.506 2.329 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 179.367 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 111.371 0.137 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.8 mt -72.92 -38.48 66.83 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 124.37 1.068 . . . . 0.0 111.554 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -71.93 -28.17 63.29 Favored 'General case' 0 C--N 1.384 2.068 0 C-N-CA 124.687 1.195 . . . . 0.0 109.287 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.29 78.75 Favored 'General case' 0 C--N 1.388 2.282 0 C-N-CA 125.586 1.554 . . . . 0.0 110.895 174.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.596 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 4.3 mpt_? -77.56 -50.47 12.51 Favored 'General case' 0 C--N 1.393 2.494 0 C-N-CA 123.607 0.763 . . . . 0.0 110.268 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mp -58.59 -61.0 2.93 Favored 'General case' 0 CA--C 1.593 2.613 0 O-C-N 124.092 0.87 . . . . 0.0 113.315 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.36 -47.63 8.64 Favored 'General case' 0 C--N 1.384 2.085 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -72.32 -36.52 68.89 Favored 'General case' 0 N--CA 1.513 2.694 0 N-CA-C 114.49 1.292 . . . . 0.0 114.49 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.596 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 7.0 m-85 -70.57 -39.22 74.03 Favored 'General case' 0 C--N 1.391 2.402 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.144 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -69.75 -35.49 75.01 Favored 'General case' 0 C--N 1.397 2.649 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -64.13 -40.92 97.21 Favored 'General case' 0 N--CA 1.523 3.218 0 C-N-CA 124.765 1.226 . . . . 0.0 113.791 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -68.63 -35.94 77.97 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 124.418 1.087 . . . . 0.0 112.281 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.51 -36.3 80.78 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 125.068 1.347 . . . . 0.0 112.148 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -64.47 -41.27 96.6 Favored 'General case' 0 N--CA 1.509 2.48 0 C-N-CA 125.435 1.494 . . . . 0.0 114.563 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -73.52 -40.16 64.25 Favored 'General case' 0 N--CA 1.507 2.394 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.29 -32.65 71.41 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 123.344 0.403 . . . . 0.0 110.252 173.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.83 -32.96 70.18 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 125.081 1.352 . . . . 0.0 112.726 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.44 -38.05 83.92 Favored 'General case' 0 C--N 1.404 2.963 0 C-N-CA 125.314 1.446 . . . . 0.0 111.557 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.75 -38.55 91.38 Favored 'General case' 0 C--N 1.392 2.438 0 O-C-N 125.064 1.478 . . . . 0.0 110.726 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -69.55 -38.38 77.43 Favored 'General case' 0 C--N 1.383 2.036 0 C-N-CA 125.158 1.383 . . . . 0.0 110.854 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -73.64 -46.3 47.59 Favored 'General case' 0 N--CA 1.511 2.611 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.03 -40.73 78.43 Favored 'General case' 0 N--CA 1.514 2.771 0 C-N-CA 124.463 1.105 . . . . 0.0 113.209 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.51 -35.33 77.33 Favored 'General case' 0 C--N 1.383 2.024 0 C-N-CA 124.369 1.068 . . . . 0.0 111.829 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.649 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 24.9 tt0 -72.74 -26.2 61.48 Favored 'General case' 0 C--N 1.384 2.099 0 CA-C-O 118.075 -0.964 . . . . 0.0 113.164 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -71.28 -53.36 14.57 Favored 'General case' 0 C--O 1.276 2.473 0 CA-C-N 119.133 0.879 . . . . 0.0 113.21 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.22 -34.41 65.89 Favored 'General case' 0 C--N 1.388 2.246 0 CA-C-N 113.661 -1.609 . . . . 0.0 112.353 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -88.1 -12.02 45.36 Favored 'General case' 0 CA--C 1.575 1.933 0 C-N-CA 124.263 1.025 . . . . 0.0 113.065 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 130' ' ' GLU . . . -63.06 -33.6 75.78 Favored 'General case' 0 N--CA 1.525 3.29 0 C-N-CA 125.011 1.325 . . . . 0.0 110.734 175.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.48 -15.85 63.89 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 125.628 1.571 . . . . 0.0 114.041 176.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -95.16 -29.06 14.74 Favored 'General case' 0 C--N 1.39 2.34 0 C-N-CA 124.336 1.055 . . . . 0.0 109.766 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 51.28 25.44 2.5 Favored 'General case' 0 N--CA 1.523 3.21 0 C-N-CA 128.305 2.642 . . . . 0.0 117.087 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.408 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 3.0 m-20 -86.58 146.58 41.98 Favored Pre-proline 0 CA--C 1.586 2.338 0 CA-C-O 118.565 -0.731 . . . . 0.0 112.301 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.27 -12.03 12.18 Favored 'Trans proline' 1 C--N 1.43 4.851 0 C-N-CA 124.47 3.447 . . . . 0.0 118.077 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -71.24 -31.22 67.28 Favored 'General case' 0 N--CA 1.531 3.599 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -175.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.507 ' O ' HD12 ' A' ' 145' ' ' ILE . 0.0 OUTLIER -78.17 -30.28 49.03 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 125.824 1.65 . . . . 0.0 110.288 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.32 -32.96 70.94 Favored 'General case' 0 C--N 1.391 2.399 0 C-N-CA 124.908 1.283 . . . . 0.0 110.041 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -71.35 -33.83 69.95 Favored 'General case' 0 CA--C 1.578 2.044 0 C-N-CA 123.806 0.842 . . . . 0.0 110.768 174.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.98 -44.03 66.82 Favored 'General case' 0 N--CA 1.515 2.78 0 C-N-CA 125.273 1.429 . . . . 0.0 114.591 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 141' ' ' LEU . 3.0 mt -68.76 -42.0 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.318 0 C-N-CA 125.248 1.419 . . . . 0.0 109.852 177.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.4 m -60.86 -40.32 92.48 Favored 'General case' 0 CA--C 1.587 2.383 0 C-N-CA 125.915 1.686 . . . . 0.0 111.324 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.93 94.51 Favored 'General case' 0 N--CA 1.51 2.572 0 C-N-CA 124.933 1.293 . . . . 0.0 112.341 176.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.5 -29.37 63.56 Favored 'General case' 0 C--N 1.384 2.07 0 C-N-CA 125.194 1.398 . . . . 0.0 111.558 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -34.92 78.17 Favored 'General case' 0 C--N 1.39 2.329 0 C-N-CA 126.009 1.724 . . . . 0.0 112.641 177.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -74.6 -34.94 62.94 Favored 'General case' 0 C--N 1.389 2.296 0 C-N-CA 125.166 1.386 . . . . 0.0 109.928 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -70.44 -33.96 71.91 Favored 'General case' 0 C--N 1.387 2.209 0 C-N-CA 125.713 1.605 . . . . 0.0 112.537 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.76 -40.4 97.15 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 124.58 1.152 . . . . 0.0 109.873 174.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.0 p -77.93 -39.94 41.22 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -71.86 -35.35 69.78 Favored 'General case' 0 N--CA 1.513 2.72 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 90.7 m -72.17 -38.11 69.2 Favored 'General case' 0 C--N 1.38 1.908 0 C-N-CA 123.793 0.837 . . . . 0.0 111.295 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -37.84 88.9 Favored 'General case' 0 CA--C 1.588 2.423 0 C-N-CA 125.175 1.39 . . . . 0.0 112.768 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.8 m -71.38 -42.67 68.11 Favored 'General case' 0 CA--C 1.579 2.085 0 C-N-CA 125.258 1.423 . . . . 0.0 112.027 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.94 88.44 Favored 'General case' 0 C--N 1.38 1.93 0 C-N-CA 125.966 1.707 . . . . 0.0 113.534 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 39.3 mt -69.54 -39.6 78.64 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.264 0 C-N-CA 125.586 1.555 . . . . 0.0 110.429 176.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.51 95.02 Favored 'General case' 0 C--N 1.387 2.219 0 C-N-CA 124.728 1.211 . . . . 0.0 113.912 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.1 -39.57 86.74 Favored 'General case' 0 N--CA 1.515 2.811 0 C-N-CA 125.064 1.346 . . . . 0.0 113.453 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 13.0 p -70.3 -30.45 67.45 Favored 'General case' 0 N--CA 1.507 2.423 0 C-N-CA 124.289 1.035 . . . . 0.0 112.253 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -74.25 -26.92 60.5 Favored 'General case' 0 C--N 1.381 1.963 0 C-N-CA 124.637 1.175 . . . . 0.0 112.224 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.83 -38.16 79.66 Favored 'General case' 0 N--CA 1.515 2.805 0 C-N-CA 124.974 1.31 . . . . 0.0 112.591 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.26 -32.94 70.99 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.511 1.124 . . . . 0.0 110.18 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.8 -28.75 63.81 Favored 'General case' 0 C--N 1.388 2.256 0 C-N-CA 125.33 1.452 . . . . 0.0 111.759 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -71.79 -26.3 62.36 Favored 'General case' 0 C--N 1.384 2.074 0 C-N-CA 125.33 1.452 . . . . 0.0 113.132 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.575 1.937 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo . . . . . 0 N--CA 1.522 3.177 0 N-CA-C 114.998 1.115 . . . . 0.0 114.998 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mt -99.42 -47.58 5.09 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 123.51 0.724 . . . . 0.0 111.74 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.44 -37.23 52.06 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 125.249 1.419 . . . . 0.0 112.597 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -33.33 72.22 Favored 'General case' 0 C--N 1.379 1.873 0 C-N-CA 124.126 0.971 . . . . 0.0 110.39 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -68.49 -36.01 78.34 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 124.49 1.119 . . . . 0.0 111.675 177.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.7 m -72.96 -40.7 65.13 Favored 'General case' 0 C--N 1.38 1.925 0 C-N-CA 123.728 0.811 . . . . 0.0 110.902 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.36 -43.51 92.84 Favored 'General case' 0 C--N 1.389 2.321 0 O-C-N 124.362 1.039 . . . . 0.0 112.337 174.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -64.5 -40.43 95.63 Favored 'General case' 0 C--N 1.401 2.834 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 2.1 m -69.94 -36.08 75.01 Favored 'General case' 0 C--N 1.377 1.788 0 CA-C-O 117.828 -1.082 . . . . 0.0 110.755 178.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -63.18 -29.56 70.88 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 124.003 0.921 . . . . 0.0 111.836 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.4 t -76.08 -47.52 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.425 0 C-N-CA 125.837 1.655 . . . . 0.0 111.14 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.46 -29.18 66.8 Favored 'General case' 0 N--CA 1.506 2.327 0 CA-C-N 119.008 0.822 . . . . 0.0 111.66 175.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 12' ' ' THR . . . -66.13 -40.5 90.68 Favored 'General case' 0 N--CA 1.514 2.768 0 C-N-CA 125.379 1.471 . . . . 0.0 110.586 172.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.91 -34.42 66.62 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 124.336 1.055 . . . . 0.0 110.884 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -59.7 -42.04 92.1 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 127.064 2.145 . . . . 0.0 111.548 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.39 -15.49 59.93 Favored 'General case' 0 N--CA 1.501 2.125 0 C-N-CA 124.999 1.319 . . . . 0.0 114.019 177.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.4 -20.16 17.3 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 124.209 1.004 . . . . 0.0 109.433 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.6 14.54 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 C-N-CA 126.911 2.084 . . . . 0.0 112.45 178.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.78 -74.23 0.47 Allowed Glycine 0 N--CA 1.493 2.441 0 CA-C-O 116.831 -2.094 . . . . 0.0 113.995 -172.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -67.11 -0.72 5.15 Favored 'Trans proline' 1 C--N 1.416 4.113 0 CA-C-N 121.734 2.767 . . . . 0.0 115.41 177.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 mt -88.49 -14.57 37.48 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 125.664 1.586 . . . . 0.0 112.6 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.51 2.565 0 C-N-CA 126.905 2.082 . . . . 0.0 116.028 178.48 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.975 0 CA-C-O 123.286 1.517 . . . . 0.0 108.683 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -87.22 -2.13 58.4 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 112.194 -2.275 . . . . 0.0 113.148 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -79.49 -15.22 58.14 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.32 1.048 . . . . 0.0 111.253 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.35 -5.46 59.15 Favored 'General case' 0 C--N 1.39 2.354 0 C-N-CA 123.928 0.891 . . . . 0.0 112.239 176.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.62 158.02 28.29 Favored 'General case' 0 C--N 1.377 1.802 0 C-N-CA 126.136 1.775 . . . . 0.0 108.046 177.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.44 108.9 14.67 Favored 'General case' 0 C--N 1.381 1.953 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.2 t -160.5 163.57 32.77 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 112.101 -2.318 . . . . 0.0 107.674 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -106.12 -26.03 11.78 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.946 0.898 . . . . 0.0 111.441 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.25 83.81 1.66 Allowed Glycine 0 N--CA 1.499 2.835 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.64 -48.18 1.16 Allowed 'General case' 0 C--N 1.377 1.797 0 CA-C-N 117.585 0.693 . . . . 0.0 109.993 -175.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.469 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 66.0 ttt180 -175.3 171.22 2.94 Favored 'General case' 0 C--N 1.407 3.099 0 C-N-CA 127.867 2.467 . . . . 0.0 111.07 -173.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mt -67.36 -23.74 65.63 Favored 'General case' 0 N--CA 1.538 3.951 0 C-N-CA 125.099 1.36 . . . . 0.0 109.976 170.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.469 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.99 -38.16 92.48 Favored Glycine 0 N--CA 1.502 3.051 0 C-N-CA 125.839 1.685 . . . . 0.0 115.076 177.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -41.15 73.35 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 123.28 0.632 . . . . 0.0 111.807 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -62.74 -34.8 77.93 Favored 'General case' 0 N--CA 1.508 2.448 0 O-C-N 124.674 1.234 . . . . 0.0 111.647 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.72 -40.24 49.31 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.473 1.509 . . . . 0.0 114.074 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -31.16 68.43 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 125.118 1.367 . . . . 0.0 111.594 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -80.99 -29.15 35.28 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 123.871 0.868 . . . . 0.0 109.6 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.96 -38.42 66.73 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.299 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.49 -39.45 85.21 Favored 'General case' 0 CA--C 1.577 2.017 0 C-N-CA 124.95 1.3 . . . . 0.0 110.388 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -71.85 -24.63 61.72 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 126.808 2.043 . . . . 0.0 112.753 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.28 -32.04 43.53 Favored 'General case' 0 C--N 1.38 1.926 0 C-N-CA 123.5 0.72 . . . . 0.0 109.214 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.8 tp -72.0 -40.48 68.49 Favored 'General case' 0 C--N 1.382 2.017 0 C-N-CA 125.802 1.641 . . . . 0.0 110.774 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.4 p -70.42 -32.08 69.55 Favored 'General case' 0 N--CA 1.508 2.452 0 C-N-CA 125.255 1.422 . . . . 0.0 113.144 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -75.3 -33.9 61.24 Favored 'General case' 0 N--CA 1.509 2.488 0 C-N-CA 123.719 0.808 . . . . 0.0 112.899 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -71.33 -30.38 66.12 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 124.689 1.196 . . . . 0.0 111.454 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.564 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -69.46 -32.94 72.17 Favored 'General case' 0 C--N 1.385 2.135 0 C-N-CA 125.777 1.631 . . . . 0.0 111.497 176.584 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.42 -41.55 96.53 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 124.237 1.015 . . . . 0.0 110.502 177.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.71 -29.67 68.98 Favored 'General case' 0 C--N 1.394 2.514 0 C-N-CA 125.716 1.607 . . . . 0.0 115.124 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 61' ' ' GLU . 21.0 m -69.57 -30.2 44.3 Favored 'Isoleucine or valine' 0 C--N 1.394 2.529 0 CA-C-O 121.952 0.882 . . . . 0.0 111.646 178.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -70.27 -12.4 61.56 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 112.415 -2.175 . . . . 0.0 111.612 172.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -88.42 -38.19 15.26 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 107.84 -1.171 . . . . 0.0 107.84 172.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.01 35.3 1.52 Allowed Glycine 0 C--N 1.386 3.311 0 N-CA-C 116.909 1.523 . . . . 0.0 116.909 171.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.25 107.18 19.59 Favored 'General case' 0 C--N 1.374 1.643 0 CA-C-O 121.738 0.78 . . . . 0.0 109.12 177.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.32 -21.63 61.3 Favored 'General case' 0 N--CA 1.504 2.225 0 CA-C-N 113.738 -1.574 . . . . 0.0 112.599 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.5 m -71.29 -37.47 71.85 Favored 'General case' 0 CA--C 1.571 1.778 0 C-N-CA 125.169 1.388 . . . . 0.0 110.102 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.74 -22.34 58.85 Favored 'General case' 0 C--N 1.394 2.518 0 C-N-CA 124.678 1.191 . . . . 0.0 111.898 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.0 t -74.96 -50.27 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 126.473 1.909 . . . . 0.0 109.313 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.98 85.45 Favored 'General case' 0 C--N 1.379 1.855 0 C-N-CA 126.838 2.055 . . . . 0.0 113.052 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -64.39 -43.66 93.76 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 126.472 1.909 . . . . 0.0 110.442 174.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.48 -35.55 68.21 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.214 1.005 . . . . 0.0 110.81 176.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.07 92.6 Favored 'General case' 0 N--CA 1.511 2.589 0 C-N-CA 124.312 1.045 . . . . 0.0 112.594 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.79 -38.26 73.36 Favored 'General case' 0 N--CA 1.516 2.831 0 C-N-CA 125.697 1.599 . . . . 0.0 111.781 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -71.11 -29.37 65.17 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 125.512 1.525 . . . . 0.0 110.439 174.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.5 -45.54 68.66 Favored 'General case' 0 C--N 1.378 1.811 0 C-N-CA 124.226 1.01 . . . . 0.0 112.009 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.01 82.62 Favored 'General case' 0 C--N 1.385 2.14 0 C-N-CA 124.88 1.272 . . . . 0.0 113.2 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.66 -38.07 83.27 Favored 'General case' 0 C--N 1.389 2.286 0 C-N-CA 125.864 1.665 . . . . 0.0 112.538 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -73.35 -27.49 61.52 Favored 'General case' 0 C--N 1.376 1.719 0 C-N-CA 123.882 0.873 . . . . 0.0 112.861 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.49 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 33.4 mt -63.6 -45.63 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.445 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 175.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.68 -45.14 83.98 Favored 'General case' 0 N--CA 1.505 2.287 0 C-N-CA 124.446 1.098 . . . . 0.0 112.303 -178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.56 -45.5 52.99 Favored 'General case' 0 C--N 1.379 1.858 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 6.9 mp -85.56 -42.12 14.67 Favored 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 115.705 1.742 . . . . 0.0 115.705 -175.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.541 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 2.1 mt-30 -67.48 -38.31 84.2 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-O 118.871 -0.585 . . . . 0.0 111.982 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -79.07 -41.51 28.55 Favored 'General case' 0 CA--C 1.586 2.343 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -71.95 -35.77 69.69 Favored 'General case' 0 N--CA 1.516 2.868 0 C-N-CA 123.489 0.716 . . . . 0.0 110.761 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -73.43 -29.09 62.34 Favored 'General case' 0 C--N 1.384 2.105 0 C-N-CA 124.007 0.923 . . . . 0.0 110.175 175.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -68.89 -35.88 77.41 Favored 'General case' 0 C--N 1.411 3.255 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -84.31 -21.16 31.1 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 119.897 1.226 . . . . 0.0 110.396 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.47 -33.28 66.9 Favored 'General case' 0 C--N 1.388 2.256 0 CA-C-N 113.948 -1.478 . . . . 0.0 112.49 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.15 -9.12 59.03 Favored 'General case' 0 C--N 1.392 2.452 0 C-N-CA 124.168 0.987 . . . . 0.0 112.779 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.495 1.783 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 . . . . . 0 N--CA 1.507 2.403 0 CA-C-O 120.704 0.287 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 72.8 mt -71.04 -28.68 64.56 Favored 'General case' 0 C--N 1.384 2.1 0 C-N-CA 126.366 1.866 . . . . 0.0 111.684 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -69.31 -33.3 72.96 Favored 'General case' 0 C--N 1.379 1.891 0 C-N-CA 124.6 1.16 . . . . 0.0 110.957 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.17 -38.29 87.71 Favored 'General case' 0 C--N 1.393 2.469 0 C-N-CA 126.083 1.753 . . . . 0.0 111.164 174.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 7.5 mpt_? -71.88 -48.78 43.38 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 124.438 1.095 . . . . 0.0 111.029 175.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.95 -60.84 2.91 Favored 'General case' 0 CA--C 1.604 3.031 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.67 -43.3 18.72 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 41.8 mt-10 -72.15 -32.65 67.08 Favored 'General case' 0 N--CA 1.51 2.525 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.0 m-85 -67.2 -40.0 86.42 Favored 'General case' 0 C--N 1.394 2.509 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.693 177.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -66.5 -39.33 88.66 Favored 'General case' 0 C--N 1.393 2.472 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.63 -42.59 86.5 Favored 'General case' 0 N--CA 1.522 3.168 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -69.61 -36.51 76.25 Favored 'General case' 0 N--CA 1.507 2.379 0 C-N-CA 124.324 1.05 . . . . 0.0 112.387 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -70.96 -27.73 63.95 Favored 'General case' 0 C--N 1.38 1.928 0 C-N-CA 124.952 1.301 . . . . 0.0 112.078 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -66.6 -45.55 78.82 Favored 'General case' 0 N--CA 1.506 2.36 0 C-N-CA 125.643 1.577 . . . . 0.0 114.33 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -72.88 -39.24 66.6 Favored 'General case' 0 N--CA 1.511 2.621 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 176.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.24 -33.16 71.9 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 123.779 0.674 . . . . 0.0 110.354 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.83 -33.9 71.14 Favored 'General case' 0 C--N 1.38 1.9 0 C-N-CA 125.111 1.364 . . . . 0.0 112.535 175.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.75 92.04 Favored 'General case' 0 C--N 1.41 3.196 0 C-N-CA 125.61 1.564 . . . . 0.0 111.639 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.38 -38.96 92.87 Favored 'General case' 0 C--N 1.388 2.26 0 O-C-N 125.081 1.488 . . . . 0.0 110.42 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -69.5 -36.51 76.56 Favored 'General case' 0 C--N 1.388 2.265 0 C-N-CA 124.863 1.265 . . . . 0.0 110.361 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -65.54 -37.74 87.59 Favored 'General case' 0 C--N 1.398 2.691 0 C-N-CA 125.12 1.368 . . . . 0.0 114.341 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.12 -40.01 82.62 Favored 'General case' 0 N--CA 1.509 2.492 0 C-N-CA 124.297 1.039 . . . . 0.0 111.614 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -76.04 -23.01 55.09 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 124.579 1.152 . . . . 0.0 112.532 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -71.92 -34.62 69.23 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 125.534 1.533 . . . . 0.0 111.021 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -66.92 -39.19 87.3 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 124.94 1.296 . . . . 0.0 110.385 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -69.41 -36.55 76.83 Favored 'General case' 0 C--N 1.389 2.303 0 C-N-CA 125.125 1.37 . . . . 0.0 111.894 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -69.23 -35.69 76.42 Favored 'General case' 0 C--N 1.394 2.533 0 C-N-CA 124.765 1.226 . . . . 0.0 111.748 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.6 91.67 Favored 'General case' 0 CA--C 1.571 1.757 0 C-N-CA 125.174 1.39 . . . . 0.0 113.43 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -90.51 -39.31 12.66 Favored 'General case' 0 C--N 1.385 2.143 0 N-CA-C 116.312 1.967 . . . . 0.0 116.312 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -107.39 -30.33 8.74 Favored 'General case' 0 C--N 1.395 2.56 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -174.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 39.6 m80 56.35 28.4 13.42 Favored 'General case' 0 N--CA 1.531 3.601 0 C-N-CA 127.444 2.297 . . . . 0.0 116.349 -178.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.16 142.23 59.06 Favored Pre-proline 0 N--CA 1.503 2.189 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.49 -14.44 35.19 Favored 'Trans proline' 1 C--N 1.435 5.124 0 C-N-CA 124.199 3.266 . . . . 0.0 116.619 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -69.34 -37.53 77.71 Favored 'General case' 0 N--CA 1.529 3.48 0 C-N-CA 124.653 1.181 . . . . 0.0 113.218 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.445 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -78.36 -29.74 47.62 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 126.505 1.922 . . . . 0.0 109.858 -179.398 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.53 76.14 Favored 'General case' 0 C--N 1.377 1.803 0 C-N-CA 126.801 2.041 . . . . 0.0 110.108 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.02 -34.06 72.79 Favored 'General case' 0 C--N 1.379 1.881 0 C-N-CA 124.223 1.009 . . . . 0.0 110.644 173.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.27 -42.55 65.44 Favored 'General case' 0 N--CA 1.512 2.654 0 C-N-CA 125.311 1.444 . . . . 0.0 114.538 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.7 mt -67.56 -42.72 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.282 0 C-N-CA 125.082 1.353 . . . . 0.0 109.117 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.5 m -62.54 -42.09 99.31 Favored 'General case' 0 CA--C 1.589 2.454 0 C-N-CA 125.945 1.698 . . . . 0.0 111.467 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.46 94.79 Favored 'General case' 0 N--CA 1.514 2.741 0 C-N-CA 124.687 1.195 . . . . 0.0 112.131 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 22.9 mt -72.67 -27.62 62.21 Favored 'General case' 0 C--N 1.38 1.915 0 C-N-CA 125.156 1.383 . . . . 0.0 111.882 176.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -35.5 81.06 Favored 'General case' 0 C--N 1.392 2.425 0 C-N-CA 125.874 1.669 . . . . 0.0 112.182 177.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -75.28 -35.94 61.26 Favored 'General case' 0 C--N 1.389 2.32 0 C-N-CA 124.563 1.145 . . . . 0.0 109.994 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -71.12 -34.86 71.46 Favored 'General case' 0 C--N 1.387 2.196 0 C-N-CA 125.53 1.532 . . . . 0.0 112.744 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.37 -38.36 90.75 Favored 'General case' 0 C--N 1.379 1.864 0 C-N-CA 124.876 1.27 . . . . 0.0 109.985 174.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.3 p -76.9 -37.92 54.51 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 123.841 0.713 . . . . 0.0 112.377 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -71.28 -33.99 70.27 Favored 'General case' 0 N--CA 1.514 2.77 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 78.5 m -71.25 -38.78 71.91 Favored 'General case' 0 C--N 1.386 2.179 0 C-N-CA 123.935 0.894 . . . . 0.0 110.771 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -59.88 -37.15 78.52 Favored 'General case' 0 C--N 1.396 2.589 0 C-N-CA 125.772 1.629 . . . . 0.0 112.384 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 14.1 m -67.95 -40.52 83.22 Favored 'General case' 0 CA--C 1.58 2.134 0 C-N-CA 125.529 1.532 . . . . 0.0 110.515 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.25 -37.36 80.69 Favored 'General case' 0 C--N 1.381 1.947 0 C-N-CA 126.266 1.826 . . . . 0.0 112.677 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 34.3 mt -67.31 -41.75 86.84 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.01 0 C-N-CA 126.391 1.877 . . . . 0.0 110.091 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.64 97.45 Favored 'General case' 0 C--N 1.388 2.273 0 C-N-CA 124.771 1.228 . . . . 0.0 113.551 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.53 -39.66 85.04 Favored 'General case' 0 N--CA 1.515 2.782 0 C-N-CA 125.151 1.38 . . . . 0.0 113.585 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 14.8 p -71.38 -32.39 68.43 Favored 'General case' 0 N--CA 1.509 2.523 0 C-N-CA 124.436 1.095 . . . . 0.0 112.085 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -71.96 -29.09 63.9 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 124.673 1.189 . . . . 0.0 111.583 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.82 -32.13 70.4 Favored 'General case' 0 N--CA 1.512 2.632 0 C-N-CA 125.208 1.403 . . . . 0.0 112.088 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.17 72.39 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 124.936 1.294 . . . . 0.0 111.448 175.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 2.1 mp -78.22 -32.31 49.76 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 125.743 1.617 . . . . 0.0 112.044 177.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -71.57 -30.86 66.33 Favored 'General case' 0 N--CA 1.515 2.796 0 C-N-CA 126.158 1.783 . . . . 0.0 113.664 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? . . . . . 0 C--N 1.389 2.283 0 C-N-CA 127.955 2.502 . . . . 0.0 113.853 -178.629 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo . . . . . 0 N--CA 1.525 3.35 0 N-CA-C 116.85 1.827 . . . . 0.0 116.85 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.96 -35.24 24.13 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 123.957 0.903 . . . . 0.0 111.548 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -36.21 53.57 Favored 'General case' 0 C--N 1.375 1.695 0 C-N-CA 125.338 1.455 . . . . 0.0 112.154 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -29.9 65.6 Favored 'General case' 0 C--N 1.378 1.847 0 C-N-CA 124.387 1.075 . . . . 0.0 110.295 177.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.52 -40.79 93.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 124.736 1.272 . . . . 0.0 111.75 176.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -70.08 -40.66 74.85 Favored 'General case' 0 C--N 1.387 2.209 0 C-N-CA 123.806 0.842 . . . . 0.0 110.984 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.33 -44.63 88.75 Favored 'General case' 0 C--N 1.386 2.164 0 O-C-N 124.409 1.068 . . . . 0.0 112.073 173.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -66.17 -39.28 89.64 Favored 'General case' 0 C--N 1.399 2.733 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 2.1 m -70.12 -38.73 75.64 Favored 'General case' 0 C--N 1.378 1.814 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.701 178.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -61.45 -32.87 72.86 Favored 'General case' 0 N--CA 1.503 2.189 0 C-N-CA 124.101 0.96 . . . . 0.0 111.756 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.2 t -75.12 -46.31 39.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 C-N-CA 125.526 1.53 . . . . 0.0 111.486 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -29.02 66.97 Favored 'General case' 0 N--CA 1.507 2.407 0 C-N-CA 124.058 0.943 . . . . 0.0 111.541 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 12' ' ' THR . . . -68.49 -39.54 81.27 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 125.609 1.564 . . . . 0.0 110.928 171.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.92 -39.19 69.65 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 124.612 1.165 . . . . 0.0 111.18 178.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -61.07 -38.59 86.77 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 126.973 2.109 . . . . 0.0 112.185 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.94 -30.76 67.15 Favored 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 123.421 0.688 . . . . 0.0 112.277 176.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.4 mp -79.33 -22.46 44.5 Favored 'General case' 0 N--CA 1.505 2.322 0 C-N-CA 125.636 1.574 . . . . 0.0 112.588 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 21' ' ' ILE . 38.7 mt -109.33 16.8 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.271 0 C-N-CA 128.089 2.556 . . . . 0.0 108.011 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.67 -76.03 0.33 Allowed Glycine 0 C--N 1.368 2.313 0 CA-C-O 116.835 -2.092 . . . . 0.0 113.786 -175.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -67.99 -2.1 8.15 Favored 'Trans proline' 0 C--N 1.412 3.914 0 CA-C-N 122.2 3.0 . . . . 0.0 116.842 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.64 -20.41 27.87 Favored 'General case' 0 N--CA 1.51 2.551 0 C-N-CA 125.201 1.4 . . . . 0.0 112.501 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.462 0 C-N-CA 128.257 2.623 . . . . 0.0 116.602 178.22 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 122.161 0.982 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -82.71 6.3 18.47 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 113.583 -1.644 . . . . 0.0 113.827 -176.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -79.62 -26.71 41.11 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 123.862 0.865 . . . . 0.0 110.454 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mt -100.03 -6.52 26.34 Favored 'General case' 0 C--N 1.391 2.412 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -119.43 155.26 32.35 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.57 109.16 13.43 Favored 'General case' 0 C--N 1.386 2.157 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.8 t -152.71 138.37 17.83 Favored 'General case' 0 C--O 1.252 1.218 0 CA-C-N 113.758 -1.564 . . . . 0.0 108.901 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -82.6 -31.52 28.87 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 113.927 -1.488 . . . . 0.0 112.889 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.84 79.3 1.33 Allowed Glycine 0 C--N 1.378 2.887 0 N-CA-C 107.557 -2.217 . . . . 0.0 107.557 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.9 -52.8 1.33 Allowed 'General case' 0 C--N 1.38 1.907 0 CA-C-O 121.083 0.468 . . . . 0.0 110.197 -173.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 45.4 ttt180 -175.88 173.18 2.34 Favored 'General case' 0 C--N 1.412 3.313 0 C-N-CA 126.891 2.076 . . . . 0.0 112.448 -174.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.02 -22.03 64.09 Favored 'General case' 0 N--CA 1.535 3.795 0 C-N-CA 125.779 1.632 . . . . 0.0 107.758 169.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.411 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.92 -34.39 78.24 Favored Glycine 0 C--N 1.38 2.99 0 C-N-CA 126.815 2.15 . . . . 0.0 114.443 176.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -21.07 57.79 Favored 'General case' 0 C--N 1.393 2.479 0 CA-C-N 117.65 0.725 . . . . 0.0 111.462 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -82.36 -31.88 29.57 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 114.495 -1.229 . . . . 0.0 110.764 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.44 -35.02 58.73 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 124.8 1.24 . . . . 0.0 111.707 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.45 -38.38 74.48 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 125.289 1.436 . . . . 0.0 111.176 176.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.32 -32.16 68.26 Favored 'General case' 0 C--N 1.388 2.281 0 C-N-CA 123.45 0.7 . . . . 0.0 111.604 177.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.04 71.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 125.229 1.581 . . . . 0.0 111.759 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.09 -36.41 72.19 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 123.389 0.676 . . . . 0.0 111.579 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -72.36 -26.28 61.85 Favored 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 125.59 1.556 . . . . 0.0 112.473 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.9 m -80.32 -29.32 38.09 Favored 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 123.799 0.84 . . . . 0.0 109.751 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mp -73.23 -41.99 63.09 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 125.268 1.427 . . . . 0.0 111.023 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.7 p -72.57 -34.98 67.84 Favored 'General case' 0 N--CA 1.506 2.354 0 C-N-CA 125.687 1.595 . . . . 0.0 113.608 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -77.25 -36.66 54.27 Favored 'General case' 0 N--CA 1.51 2.527 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.03 -30.77 65.52 Favored 'General case' 0 C--N 1.389 2.293 0 C-N-CA 124.811 1.244 . . . . 0.0 111.918 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.565 ' O ' HG23 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -68.79 -32.94 73.03 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 125.684 1.593 . . . . 0.0 111.965 176.447 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.75 -41.07 92.59 Favored 'General case' 0 C--N 1.382 2.01 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.748 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.72 -29.82 70.4 Favored 'General case' 0 C--N 1.395 2.553 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 175.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 61' ' ' GLU . 17.2 m -69.28 -30.71 46.94 Favored 'Isoleucine or valine' 0 C--N 1.391 2.405 0 CA-C-O 121.927 0.87 . . . . 0.0 111.331 178.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -74.62 -9.99 59.1 Favored 'General case' 0 CA--C 1.579 2.06 0 CA-C-N 112.462 -2.154 . . . . 0.0 111.52 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -94.48 -10.17 33.16 Favored 'General case' 0 N--CA 1.5 2.066 0 C-N-CA 125.233 1.413 . . . . 0.0 110.779 175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.65 39.3 8.28 Favored Glycine 0 C--N 1.38 3.007 0 N-CA-C 117.487 1.755 . . . . 0.0 117.487 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.28 93.9 5.06 Favored 'General case' 0 C--N 1.372 1.583 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 176.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.98 -22.42 61.43 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 113.535 -1.666 . . . . 0.0 112.3 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.5 m -70.52 -35.5 73.22 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 125.459 1.504 . . . . 0.0 109.811 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -76.23 -20.97 56.94 Favored 'General case' 0 C--N 1.391 2.407 0 C-N-CA 123.681 0.792 . . . . 0.0 111.603 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.9 t -74.48 -51.13 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 C-N-CA 126.54 1.936 . . . . 0.0 109.407 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.01 80.13 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 126.947 2.099 . . . . 0.0 112.71 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -46.24 87.35 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.151 1.38 . . . . 0.0 109.292 173.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.25 -39.01 92.11 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 124.589 1.18 . . . . 0.0 111.831 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.45 95.54 Favored 'General case' 0 N--CA 1.513 2.711 0 C-N-CA 124.487 1.115 . . . . 0.0 112.105 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.16 -37.92 75.32 Favored 'General case' 0 N--CA 1.516 2.829 0 C-N-CA 126.324 1.849 . . . . 0.0 111.366 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -72.0 -28.81 63.65 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 125.461 1.504 . . . . 0.0 110.714 174.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.91 -46.38 65.52 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 124.452 1.101 . . . . 0.0 111.693 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.05 -39.12 83.11 Favored 'General case' 0 C--N 1.386 2.186 0 C-N-CA 124.847 1.259 . . . . 0.0 112.669 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.41 85.89 Favored 'General case' 0 C--N 1.385 2.112 0 C-N-CA 125.999 1.72 . . . . 0.0 112.368 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -73.81 -27.35 61.08 Favored 'General case' 0 C--N 1.378 1.827 0 C-N-CA 123.779 0.832 . . . . 0.0 112.743 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 29.7 mt -62.94 -45.67 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.75 -43.09 94.42 Favored 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 124.893 1.277 . . . . 0.0 111.872 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.29 -42.77 62.03 Favored 'General case' 0 C--N 1.378 1.832 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.585 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 2.1 mm? -86.06 -44.52 12.22 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -175.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 10.4 mt-30 -66.69 -39.58 88.15 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 123.63 0.581 . . . . 0.0 112.115 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.33 -39.86 31.72 Favored 'General case' 0 C--N 1.386 2.167 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -76.35 -29.39 57.21 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 119.084 0.856 . . . . 0.0 110.841 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.585 ' HB1' ' O ' ' A' ' 86' ' ' LEU . . . -76.36 -26.67 55.91 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 124.192 0.997 . . . . 0.0 109.129 174.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -71.39 -31.93 67.85 Favored 'General case' 0 C--N 1.41 3.221 0 C-N-CA 124.393 1.077 . . . . 0.0 113.117 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.7 p -85.58 -21.65 28.41 Favored 'General case' 0 C--N 1.382 1.989 0 CA-C-N 119.131 0.878 . . . . 0.0 110.07 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.96 -29.18 55.46 Favored 'General case' 0 C--N 1.386 2.184 0 CA-C-N 113.939 -1.482 . . . . 0.0 112.113 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 p -77.32 -10.86 59.7 Favored 'General case' 0 N--CA 1.515 2.825 0 C-N-CA 125.942 1.697 . . . . 0.0 112.281 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 N--CA 1.496 1.833 0 C-N-CA 127.532 2.333 . . . . 0.0 109.657 176.489 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 . . . . . 0 CA--C 1.565 1.525 0 CA-C-O 119.206 -0.426 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.94 -38.65 86.54 Favored 'General case' 0 C--N 1.403 2.905 0 C-N-CA 123.992 0.917 . . . . 0.0 112.522 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -67.62 -35.38 78.82 Favored 'General case' 0 N--CA 1.501 2.104 0 C-N-CA 125.4 1.48 . . . . 0.0 109.794 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -67.92 -36.57 80.38 Favored 'General case' 0 C--N 1.388 2.276 0 C-N-CA 125.873 1.669 . . . . 0.0 111.651 174.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 5.2 mpt_? -74.28 -49.34 23.53 Favored 'General case' 0 C--N 1.375 1.702 0 C-N-CA 123.537 0.735 . . . . 0.0 111.253 176.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.45 -60.04 4.12 Favored 'General case' 0 CA--C 1.599 2.836 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.08 -42.63 18.94 Favored 'General case' 0 C--N 1.384 2.093 0 N-CA-C 116.704 2.113 . . . . 0.0 116.704 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 42.4 mt-10 -72.23 -33.82 67.86 Favored 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.531 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 5.3 m-85 -66.28 -41.93 89.13 Favored 'General case' 0 C--N 1.393 2.463 0 CA-C-O 118.549 -0.739 . . . . 0.0 112.07 177.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -71.1 -30.97 67.21 Favored 'General case' 0 C--N 1.394 2.525 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.93 -42.04 73.8 Favored 'General case' 0 N--CA 1.521 3.085 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -71.64 -35.22 70.33 Favored 'General case' 0 N--CA 1.507 2.412 0 C-N-CA 124.366 1.066 . . . . 0.0 112.039 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.2 -22.21 60.51 Favored 'General case' 0 C--N 1.383 2.058 0 C-N-CA 125.106 1.362 . . . . 0.0 111.961 177.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -69.12 -50.72 45.47 Favored 'General case' 0 N--CA 1.506 2.375 0 C-N-CA 125.905 1.682 . . . . 0.0 113.56 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.23 -37.92 69.05 Favored 'General case' 0 N--CA 1.509 2.484 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.13 -33.52 73.52 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 123.646 0.591 . . . . 0.0 110.543 174.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -34.28 72.45 Favored 'General case' 0 C--N 1.379 1.877 0 C-N-CA 125.03 1.332 . . . . 0.0 111.917 175.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.74 90.19 Favored 'General case' 0 C--N 1.408 3.11 0 C-N-CA 125.688 1.595 . . . . 0.0 112.611 -177.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.4 mtt -64.16 -39.73 94.62 Favored 'General case' 0 C--N 1.389 2.302 0 O-C-N 124.878 1.361 . . . . 0.0 110.482 176.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -69.04 -37.3 78.51 Favored 'General case' 0 C--N 1.385 2.119 0 C-N-CA 125.014 1.326 . . . . 0.0 110.974 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -65.03 -38.68 91.68 Favored 'General case' 0 C--N 1.4 2.762 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.81 -39.48 80.04 Favored 'General case' 0 N--CA 1.509 2.501 0 C-N-CA 124.415 1.086 . . . . 0.0 111.546 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -74.16 -24.83 59.46 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 124.764 1.225 . . . . 0.0 112.315 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -71.94 -34.46 69.03 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 125.59 1.556 . . . . 0.0 111.176 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -67.0 -38.64 86.36 Favored 'General case' 0 C--N 1.388 2.252 0 C-N-CA 125.129 1.372 . . . . 0.0 110.444 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -72.22 -32.86 67.14 Favored 'General case' 0 C--N 1.387 2.238 0 C-N-CA 124.673 1.189 . . . . 0.0 111.993 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -69.41 -37.06 77.31 Favored 'General case' 0 C--N 1.391 2.41 0 C-N-CA 124.794 1.238 . . . . 0.0 111.395 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.46 86.54 Favored 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 125.323 1.449 . . . . 0.0 113.418 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -90.71 -39.63 12.32 Favored 'General case' 0 C--N 1.387 2.231 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -106.97 -29.88 9.18 Favored 'General case' 0 C--N 1.398 2.677 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -174.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 56.48 26.94 11.47 Favored 'General case' 0 N--CA 1.532 3.671 0 C-N-CA 127.594 2.358 . . . . 0.0 116.468 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.74 137.72 58.3 Favored Pre-proline 0 N--CA 1.503 2.208 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.4 -14.33 15.79 Favored 'Trans proline' 1 C--N 1.436 5.14 0 C-N-CA 124.709 3.606 . . . . 0.0 116.776 177.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -68.45 -37.92 80.65 Favored 'General case' 0 N--CA 1.527 3.402 0 C-N-CA 124.341 1.056 . . . . 0.0 113.294 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -78.09 -29.19 48.92 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 126.887 2.075 . . . . 0.0 110.002 -179.194 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.8 77.97 Favored 'General case' 0 C--N 1.378 1.807 0 C-N-CA 126.671 1.988 . . . . 0.0 110.045 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.7 -33.52 70.97 Favored 'General case' 0 C--N 1.381 1.969 0 C-N-CA 124.138 0.975 . . . . 0.0 110.82 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -72.12 -42.65 65.81 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 125.107 1.363 . . . . 0.0 114.264 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.1 mt -66.32 -43.32 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.22 0 C-N-CA 125.629 1.571 . . . . 0.0 109.06 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 23.0 m -63.12 -41.0 99.24 Favored 'General case' 0 CA--C 1.59 2.505 0 C-N-CA 126.026 1.73 . . . . 0.0 111.43 177.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.18 93.43 Favored 'General case' 0 N--CA 1.513 2.69 0 C-N-CA 124.655 1.182 . . . . 0.0 112.165 175.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.28 -26.39 60.17 Favored 'General case' 0 C--N 1.381 1.976 0 C-N-CA 124.774 1.23 . . . . 0.0 111.845 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.06 -37.36 87.17 Favored 'General case' 0 C--N 1.394 2.517 0 C-N-CA 125.999 1.719 . . . . 0.0 112.425 176.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -75.09 -35.13 61.8 Favored 'General case' 0 C--N 1.389 2.291 0 C-N-CA 124.874 1.27 . . . . 0.0 110.091 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -71.51 -33.66 69.43 Favored 'General case' 0 C--N 1.385 2.123 0 C-N-CA 125.093 1.357 . . . . 0.0 113.121 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.94 -38.13 85.58 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 124.923 1.289 . . . . 0.0 109.934 174.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.5 p -76.6 -37.07 57.03 Favored 'General case' 0 N--CA 1.5 2.065 0 C-N-CA 123.38 0.672 . . . . 0.0 112.303 176.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -73.0 -28.33 62.3 Favored 'General case' 0 N--CA 1.512 2.673 0 C-N-CA 124.139 0.976 . . . . 0.0 113.177 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 8.7 t -73.24 -41.03 64.18 Favored 'General case' 0 C--N 1.384 2.107 0 C-N-CA 123.994 0.918 . . . . 0.0 109.35 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -59.53 -38.0 79.85 Favored 'General case' 0 C--N 1.394 2.514 0 C-N-CA 125.487 1.515 . . . . 0.0 112.257 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.4 m -68.93 -41.37 78.21 Favored 'General case' 0 CA--C 1.58 2.13 0 C-N-CA 125.422 1.489 . . . . 0.0 110.565 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.52 -38.37 84.17 Favored 'General case' 0 C--N 1.38 1.92 0 C-N-CA 126.326 1.851 . . . . 0.0 112.859 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 37.1 mt -66.51 -42.14 89.66 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.898 0 C-N-CA 126.268 1.827 . . . . 0.0 110.12 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.11 93.66 Favored 'General case' 0 C--N 1.391 2.384 0 C-N-CA 124.627 1.171 . . . . 0.0 112.924 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.85 -39.32 87.56 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 125.435 1.494 . . . . 0.0 112.981 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 18.0 p -70.99 -29.76 65.82 Favored 'General case' 0 N--CA 1.511 2.581 0 C-N-CA 124.304 1.042 . . . . 0.0 112.033 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.41 -28.59 63.07 Favored 'General case' 0 C--N 1.381 1.978 0 C-N-CA 124.861 1.264 . . . . 0.0 111.538 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.82 -35.35 76.87 Favored 'General case' 0 N--CA 1.512 2.667 0 C-N-CA 125.227 1.411 . . . . 0.0 111.92 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.31 72.19 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 124.713 1.205 . . . . 0.0 110.211 175.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.03 -30.17 63.54 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 125.501 1.52 . . . . 0.0 111.934 176.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -66.79 -35.13 79.37 Favored 'General case' 0 N--CA 1.508 2.443 0 C-N-CA 126.245 1.818 . . . . 0.0 112.897 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 . . . . . 0 C--N 1.383 2.029 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -177.76 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo . . . . . 0 N--CA 1.525 3.342 0 N-CA-C 114.632 0.974 . . . . 0.0 114.632 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.74 -48.25 4.78 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 123.623 0.769 . . . . 0.0 112.063 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -36.91 59.51 Favored 'General case' 0 C--N 1.377 1.773 0 C-N-CA 125.112 1.365 . . . . 0.0 112.585 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.83 -32.46 70.88 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 124.448 1.099 . . . . 0.0 110.14 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -68.22 -35.83 78.57 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 124.341 1.025 . . . . 0.0 111.467 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.6 m -72.44 -41.23 66.37 Favored 'General case' 0 C--N 1.383 2.037 0 C-N-CA 123.811 0.844 . . . . 0.0 110.972 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.29 -44.55 88.54 Favored 'General case' 0 C--N 1.389 2.306 0 O-C-N 124.333 1.021 . . . . 0.0 112.244 173.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -65.21 -39.79 93.26 Favored 'General case' 0 C--N 1.399 2.721 0 C-N-CA 125.159 1.384 . . . . 0.0 114.648 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.489 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 6.7 m -69.66 -38.22 77.01 Favored 'General case' 0 C--N 1.376 1.743 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.588 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.07 -29.3 70.21 Favored 'General case' 0 N--CA 1.509 2.522 0 C-N-CA 124.37 1.068 . . . . 0.0 112.292 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.7 t -76.67 -46.66 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.407 0 C-N-CA 125.306 1.442 . . . . 0.0 110.999 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.82 -29.95 67.34 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 123.642 0.777 . . . . 0.0 111.512 176.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 12' ' ' THR . . . -66.77 -39.62 87.93 Favored 'General case' 0 N--CA 1.512 2.67 0 C-N-CA 125.9 1.68 . . . . 0.0 110.436 172.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -34.98 68.71 Favored 'General case' 0 C--N 1.38 1.928 0 C-N-CA 124.361 1.064 . . . . 0.0 110.84 177.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -60.66 -41.28 94.69 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 127.109 2.164 . . . . 0.0 111.568 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.51 -15.76 58.25 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 124.827 1.251 . . . . 0.0 114.097 178.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.7 -17.13 18.72 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 125.217 1.407 . . . . 0.0 109.547 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.33 16.56 7.96 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.63 0 C-N-CA 126.702 2.001 . . . . 0.0 111.011 177.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.69 -75.46 0.45 Allowed Glycine 0 C--N 1.367 2.298 0 CA-C-O 116.575 -2.236 . . . . 0.0 113.857 -172.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -68.84 -3.15 10.8 Favored 'Trans proline' 1 C--N 1.421 4.362 0 CA-C-N 122.447 3.124 . . . . 0.0 115.1 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -88.9 -11.08 45.58 Favored 'General case' 0 C--N 1.383 2.04 0 C-N-CA 126.059 1.744 . . . . 0.0 112.457 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.098 0 C-N-CA 126.544 1.937 . . . . 0.0 115.428 177.564 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 122.534 1.159 . . . . 0.0 112.02 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -74.54 -33.73 62.81 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 113.369 -1.742 . . . . 0.0 113.767 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -77.14 -24.39 51.63 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.834 1.253 . . . . 0.0 113.146 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.56 -6.29 40.69 Favored 'General case' 0 C--N 1.384 2.076 0 C-N-CA 122.854 0.462 . . . . 0.0 111.967 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -119.01 154.03 33.72 Favored 'General case' 0 C--N 1.381 1.943 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.43 113.74 19.19 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.7 t -136.3 156.32 48.82 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 114.867 -1.061 . . . . 0.0 109.854 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -105.83 47.39 0.88 Allowed 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -176.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.22 -69.55 0.47 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 118.174 2.03 . . . . 0.0 118.174 170.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -173.22 64.9 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 119.202 1.501 . . . . 0.0 110.051 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -139.93 137.35 34.71 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.92 -26.1 63.06 Favored 'General case' 0 N--CA 1.524 3.264 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 170.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.06 -36.62 92.59 Favored Glycine 0 C--N 1.384 3.236 0 C-N-CA 125.73 1.633 . . . . 0.0 114.088 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.43 -21.75 45.13 Favored 'General case' 0 C--N 1.394 2.536 0 C-N-CA 123.318 0.647 . . . . 0.0 111.734 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -81.75 -32.36 31.54 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.223 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.37 -36.0 54.02 Favored 'General case' 0 C--N 1.377 1.801 0 C-N-CA 124.776 1.23 . . . . 0.0 112.504 178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.33 -34.86 70.93 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.485 1.514 . . . . 0.0 112.187 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -81.0 -28.88 35.32 Favored 'General case' 0 C--N 1.378 1.835 0 C-N-CA 123.618 0.767 . . . . 0.0 110.686 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.97 -38.57 66.67 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 124.903 1.377 . . . . 0.0 111.582 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.08 -38.01 78.77 Favored 'General case' 0 CA--C 1.575 1.916 0 C-N-CA 124.504 1.122 . . . . 0.0 110.243 175.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -72.86 -25.96 61.29 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 126.087 1.755 . . . . 0.0 112.83 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.3 m -79.51 -28.74 41.37 Favored 'General case' 0 N--CA 1.503 2.202 0 C-N-CA 123.844 0.858 . . . . 0.0 109.812 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -41.83 65.16 Favored 'General case' 0 C--N 1.383 2.053 0 C-N-CA 124.655 1.182 . . . . 0.0 110.525 176.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.4 p -71.47 -32.39 68.24 Favored 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 125.675 1.59 . . . . 0.0 113.84 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -77.83 -41.9 35.5 Favored 'General case' 0 N--CA 1.516 2.869 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.63 -34.64 78.33 Favored 'General case' 0 C--N 1.389 2.306 0 C-N-CA 124.603 1.161 . . . . 0.0 110.991 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 4.8 mt-10 -65.17 -32.4 74.07 Favored 'General case' 0 C--N 1.388 2.247 0 C-N-CA 126.135 1.774 . . . . 0.0 112.298 176.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.3 94.27 Favored 'General case' 0 C--N 1.388 2.278 0 C-N-CA 124.095 0.958 . . . . 0.0 112.944 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.14 -29.97 65.9 Favored 'General case' 0 N--CA 1.51 2.556 0 C-N-CA 123.122 0.569 . . . . 0.0 112.117 174.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.439 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 52.4 t -60.6 -39.54 81.76 Favored 'Isoleucine or valine' 0 C--N 1.38 1.92 0 C-N-CA 126.581 1.952 . . . . 0.0 110.187 175.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -54.87 -31.95 60.31 Favored 'General case' 0 C--N 1.393 2.495 0 C-N-CA 125.015 1.326 . . . . 0.0 113.104 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -69.41 -37.73 77.59 Favored 'General case' 0 C--N 1.399 2.761 0 C-N-CA 125.569 1.548 . . . . 0.0 112.062 176.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.3 32.19 2.84 Favored Glycine 0 C--N 1.375 2.711 0 N-CA-C 116.136 1.214 . . . . 0.0 116.136 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.26 112.62 21.56 Favored 'General case' 0 C--N 1.378 1.83 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.34 68.13 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 112.959 -1.928 . . . . 0.0 113.03 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.5 m -71.92 -38.23 69.91 Favored 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 124.695 1.198 . . . . 0.0 110.969 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -75.42 -22.93 57.0 Favored 'General case' 0 N--CA 1.508 2.443 0 C-N-CA 123.966 0.906 . . . . 0.0 112.279 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.2 t -77.05 -47.16 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 125.549 1.54 . . . . 0.0 109.802 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.8 -37.11 81.57 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 127.285 2.234 . . . . 0.0 112.673 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.03 -40.16 94.42 Favored 'General case' 0 N--CA 1.5 2.032 0 C-N-CA 126.299 1.84 . . . . 0.0 109.99 173.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 tt -72.72 -38.55 67.42 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 124.908 1.283 . . . . 0.0 109.64 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.17 98.02 Favored 'General case' 0 N--CA 1.511 2.583 0 C-N-CA 124.873 1.269 . . . . 0.0 112.537 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.74 -37.8 70.52 Favored 'General case' 0 N--CA 1.514 2.773 0 C-N-CA 125.888 1.675 . . . . 0.0 111.292 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -69.21 -35.65 76.43 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 125.001 1.32 . . . . 0.0 109.6 173.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.66 -45.87 81.29 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 124.703 1.201 . . . . 0.0 112.429 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.22 -40.72 82.01 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 125.079 1.352 . . . . 0.0 112.666 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.15 81.93 Favored 'General case' 0 C--N 1.39 2.342 0 C-N-CA 125.956 1.702 . . . . 0.0 112.022 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -73.64 -27.1 61.09 Favored 'General case' 0 C--N 1.375 1.688 0 C-N-CA 123.651 0.78 . . . . 0.0 112.559 176.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.514 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 32.9 mt -63.34 -46.1 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.527 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.0 mt-10 -66.27 -44.92 82.26 Favored 'General case' 0 N--CA 1.505 2.305 0 C-N-CA 124.802 1.241 . . . . 0.0 112.097 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.64 -44.44 56.89 Favored 'General case' 0 C--N 1.378 1.847 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.5 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 6.2 mp -86.22 -42.98 13.35 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -175.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 32.4 mt-30 -68.19 -37.88 81.39 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 123.795 0.684 . . . . 0.0 112.059 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.9 mtt180 -79.14 -36.09 41.06 Favored 'General case' 0 C--N 1.391 2.379 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 178.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -76.71 -26.64 54.91 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 119.367 0.985 . . . . 0.0 110.0 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 86' ' ' LEU . . . -76.86 -28.13 55.33 Favored 'General case' 0 C--N 1.389 2.287 0 C-N-CA 124.406 1.082 . . . . 0.0 109.135 173.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 87' ' ' GLN . . . -72.36 -29.37 63.73 Favored 'General case' 0 C--N 1.406 3.045 0 C-N-CA 125.303 1.441 . . . . 0.0 112.683 178.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 p -85.66 -22.57 27.85 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 124.664 1.186 . . . . 0.0 109.712 175.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.58 -27.48 51.37 Favored 'General case' 0 C--N 1.389 2.291 0 C-N-CA 125.458 1.503 . . . . 0.0 111.897 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.6 p -78.02 -11.23 59.89 Favored 'General case' 0 N--CA 1.514 2.741 0 C-N-CA 125.894 1.678 . . . . 0.0 111.725 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 N--CA 1.492 1.643 0 C-N-CA 127.021 2.129 . . . . 0.0 109.242 177.225 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 N--CA 1.503 2.178 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 59.9 mt -74.63 -35.63 62.9 Favored 'General case' 0 C--N 1.377 1.804 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -68.17 -37.75 81.33 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 124.788 1.235 . . . . 0.0 111.331 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.85 82.13 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.52 1.528 . . . . 0.0 111.441 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 4.5 mpt_? -73.01 -51.07 19.63 Favored 'General case' 0 C--N 1.376 1.745 0 C-N-CA 123.658 0.783 . . . . 0.0 111.45 176.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.57 -59.77 4.2 Favored 'General case' 0 CA--C 1.591 2.521 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.45 -45.77 24.68 Favored 'General case' 0 C--N 1.384 2.066 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.82 -37.6 70.32 Favored 'General case' 0 N--CA 1.509 2.522 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.407 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 18.7 m-85 -70.57 -36.85 73.84 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 123.127 0.571 . . . . 0.0 112.427 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -67.14 -39.83 86.64 Favored 'General case' 0 C--N 1.389 2.302 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.66 -41.75 83.29 Favored 'General case' 0 N--CA 1.517 2.875 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -68.92 -36.84 78.48 Favored 'General case' 0 N--CA 1.506 2.37 0 C-N-CA 124.216 1.006 . . . . 0.0 113.048 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.72 -36.78 78.88 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 124.66 1.184 . . . . 0.0 113.019 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -63.85 -42.41 97.58 Favored 'General case' 0 N--CA 1.511 2.604 0 C-N-CA 125.343 1.457 . . . . 0.0 114.753 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -72.9 -39.95 65.94 Favored 'General case' 0 N--CA 1.509 2.51 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.55 -32.93 71.97 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 123.451 0.469 . . . . 0.0 110.571 173.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -32.17 69.39 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 125.061 1.344 . . . . 0.0 112.093 176.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.45 86.6 Favored 'General case' 0 C--N 1.408 3.131 0 C-N-CA 125.475 1.51 . . . . 0.0 112.045 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.1 mtt -64.29 -38.05 89.68 Favored 'General case' 0 C--N 1.393 2.461 0 C-N-CA 125.253 1.421 . . . . 0.0 110.925 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -69.31 -35.32 75.86 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 125.64 1.576 . . . . 0.0 110.803 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -69.21 -38.67 78.7 Favored 'General case' 0 N--CA 1.51 2.548 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.76 -40.02 79.96 Favored 'General case' 0 N--CA 1.513 2.698 0 C-N-CA 124.672 1.189 . . . . 0.0 112.389 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -74.39 -20.51 60.04 Favored 'General case' 0 C--N 1.382 2.001 0 C-N-CA 124.661 1.184 . . . . 0.0 111.85 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -79.92 -26.92 39.97 Favored 'General case' 0 C--N 1.384 2.081 0 C-N-CA 124.385 1.074 . . . . 0.0 112.184 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -67.13 -38.72 86.06 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 124.529 1.132 . . . . 0.0 109.795 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.18 -36.28 74.54 Favored 'General case' 0 C--N 1.392 2.455 0 C-N-CA 124.915 1.286 . . . . 0.0 111.362 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -69.06 -34.47 75.21 Favored 'General case' 0 C--N 1.398 2.677 0 C-N-CA 124.977 1.311 . . . . 0.0 111.695 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.19 -37.5 87.52 Favored 'General case' 0 CA--C 1.57 1.737 0 C-N-CA 125.111 1.364 . . . . 0.0 112.935 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -90.71 -38.99 12.7 Favored 'General case' 0 C--N 1.388 2.279 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -107.74 -29.69 8.97 Favored 'General case' 0 C--N 1.397 2.663 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.3 m80 57.7 30.83 19.51 Favored 'General case' 0 N--CA 1.532 3.631 0 C-N-CA 127.617 2.367 . . . . 0.0 116.131 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.02 135.96 47.69 Favored Pre-proline 0 N--CA 1.499 1.977 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.08 -14.02 13.62 Favored 'Trans proline' 1 C--N 1.436 5.183 0 C-N-CA 124.919 3.746 . . . . 0.0 116.929 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -68.19 -37.59 81.09 Favored 'General case' 0 N--CA 1.527 3.408 0 C-N-CA 124.402 1.081 . . . . 0.0 113.688 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -79.0 -29.27 43.63 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 126.596 1.959 . . . . 0.0 110.044 -178.788 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.18 -36.62 77.52 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 126.828 2.051 . . . . 0.0 110.228 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.21 -32.83 70.92 Favored 'General case' 0 C--N 1.38 1.923 0 O-C-N 124.209 0.943 . . . . 0.0 110.492 172.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.44 -42.45 65.02 Favored 'General case' 0 N--CA 1.513 2.712 0 C-N-CA 125.102 1.361 . . . . 0.0 114.144 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.5 mt -65.28 -44.97 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.576 0 C-N-CA 125.205 1.402 . . . . 0.0 109.184 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.9 m -61.41 -42.54 98.9 Favored 'General case' 0 CA--C 1.587 2.381 0 C-N-CA 126.32 1.848 . . . . 0.0 111.62 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.45 97.6 Favored 'General case' 0 N--CA 1.514 2.738 0 C-N-CA 124.474 1.109 . . . . 0.0 112.549 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 14.8 mt -73.46 -28.73 62.1 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 124.895 1.278 . . . . 0.0 112.113 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -37.58 87.85 Favored 'General case' 0 C--N 1.392 2.437 0 C-N-CA 126.135 1.774 . . . . 0.0 112.384 178.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -74.25 -33.79 63.43 Favored 'General case' 0 C--N 1.386 2.189 0 C-N-CA 125.921 1.688 . . . . 0.0 109.792 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -70.16 -34.44 73.02 Favored 'General case' 0 C--N 1.386 2.171 0 C-N-CA 125.457 1.503 . . . . 0.0 112.455 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -38.69 91.91 Favored 'General case' 0 C--N 1.381 1.96 0 C-N-CA 124.27 1.028 . . . . 0.0 110.304 174.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.4 p -76.89 -39.13 52.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 123.931 0.769 . . . . 0.0 112.463 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -71.55 -36.26 70.9 Favored 'General case' 0 N--CA 1.513 2.689 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 82.7 m -71.77 -38.51 70.34 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 123.839 0.855 . . . . 0.0 111.446 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -62.42 -38.34 89.33 Favored 'General case' 0 C--N 1.394 2.5 0 C-N-CA 125.25 1.42 . . . . 0.0 112.429 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 25.3 m -69.95 -41.84 74.01 Favored 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 125.17 1.388 . . . . 0.0 111.034 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.84 -38.38 83.09 Favored 'General case' 0 C--N 1.38 1.892 0 C-N-CA 126.141 1.777 . . . . 0.0 113.102 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 20.7 mt -69.91 -40.38 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.833 0 C-N-CA 126.033 1.733 . . . . 0.0 110.228 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.91 99.68 Favored 'General case' 0 C--N 1.389 2.315 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.53 -40.91 76.62 Favored 'General case' 0 N--CA 1.512 2.65 0 C-N-CA 124.639 1.176 . . . . 0.0 113.763 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.1 p -71.57 -35.53 70.62 Favored 'General case' 0 N--CA 1.507 2.423 0 C-N-CA 124.317 1.047 . . . . 0.0 112.757 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.31 -35.56 68.66 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 124.252 1.021 . . . . 0.0 112.548 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -65.56 -38.94 91.02 Favored 'General case' 0 N--CA 1.515 2.788 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -71.77 -33.65 68.79 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 124.312 1.045 . . . . 0.0 111.037 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -77.14 -32.26 56.21 Favored 'General case' 0 C--N 1.387 2.238 0 C-N-CA 125.893 1.677 . . . . 0.0 112.943 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.44 -26.41 60.93 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 125.257 1.423 . . . . 0.0 113.115 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.383 2.044 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 N--CA 1.523 3.253 0 N-CA-C 114.188 0.803 . . . . 0.0 114.188 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -96.91 -41.03 8.61 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 123.338 0.655 . . . . 0.0 112.272 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.23 -37.78 52.56 Favored 'General case' 0 C--N 1.373 1.593 0 C-N-CA 124.861 1.264 . . . . 0.0 111.873 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -31.75 70.64 Favored 'General case' 0 C--N 1.38 1.925 0 C-N-CA 124.967 1.307 . . . . 0.0 111.31 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -69.36 -38.04 77.91 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 124.716 1.26 . . . . 0.0 111.607 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.3 m -71.16 -41.27 70.62 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 123.729 0.812 . . . . 0.0 111.093 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.91 -44.58 91.31 Favored 'General case' 0 C--N 1.389 2.298 0 O-C-N 124.237 0.961 . . . . 0.0 111.838 173.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -65.71 -40.2 92.01 Favored 'General case' 0 C--N 1.4 2.763 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.525 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 7.9 m -69.55 -38.8 77.61 Favored 'General case' 0 C--N 1.376 1.728 0 CA-C-O 117.835 -1.079 . . . . 0.0 110.611 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.93 -30.2 71.37 Favored 'General case' 0 N--CA 1.503 2.181 0 C-N-CA 123.99 0.916 . . . . 0.0 111.788 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.5 t -75.83 -46.76 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 C-N-CA 125.505 1.522 . . . . 0.0 111.59 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.99 -29.84 68.12 Favored 'General case' 0 N--CA 1.506 2.364 0 C-N-CA 123.668 0.787 . . . . 0.0 111.712 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 12' ' ' THR . . . -66.31 -41.21 90.04 Favored 'General case' 0 N--CA 1.512 2.655 0 C-N-CA 126.251 1.82 . . . . 0.0 110.837 171.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 mt -70.0 -37.88 75.82 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 124.188 0.995 . . . . 0.0 110.765 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -59.54 -40.77 88.29 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 127.435 2.294 . . . . 0.0 112.222 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.26 -16.1 58.13 Favored 'General case' 0 N--CA 1.505 2.297 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 177.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -97.36 -19.78 18.27 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 125.477 1.511 . . . . 0.0 110.187 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.79 11.35 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 127.066 2.146 . . . . 0.0 112.129 178.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.1 -67.09 2.11 Favored Glycine 0 N--CA 1.497 2.756 0 N-CA-C 117.397 1.719 . . . . 0.0 117.397 -170.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.09 -8.96 25.04 Favored 'Trans proline' 0 C--N 1.412 3.871 0 CA-C-N 122.004 2.902 . . . . 0.0 117.164 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.25 -50.41 10.97 Favored 'General case' 0 C--N 1.375 1.704 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -176.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.611 0 N-CA-C 115.968 1.84 . . . . 0.0 115.968 -178.325 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 122.005 0.907 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.41 -2.0 51.77 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 113.67 -1.605 . . . . 0.0 113.868 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -80.11 -30.61 39.16 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 123.326 0.651 . . . . 0.0 111.091 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 mt -102.16 -3.82 26.84 Favored 'General case' 0 C--N 1.388 2.248 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -120.12 154.93 34.01 Favored 'General case' 0 C--N 1.382 2.017 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.0 108.96 13.51 Favored 'General case' 0 C--N 1.385 2.115 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 t -152.93 169.09 23.7 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 113.486 -1.688 . . . . 0.0 108.726 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -113.46 -31.9 6.39 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.511 0.724 . . . . 0.0 111.466 -178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.28 83.58 1.11 Allowed Glycine 0 C--N 1.381 3.036 0 N-CA-C 107.594 -2.202 . . . . 0.0 107.594 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.15 -55.94 1.18 Allowed 'General case' 0 C--N 1.385 2.151 0 CA-C-N 117.329 0.564 . . . . 0.0 111.147 -173.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -177.6 173.63 1.62 Allowed 'General case' 0 C--N 1.412 3.303 0 C-N-CA 126.973 2.109 . . . . 0.0 112.214 -174.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -21.66 62.43 Favored 'General case' 0 C--N 1.42 3.652 0 C-N-CA 125.042 1.337 . . . . 0.0 108.201 171.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.86 -35.29 74.63 Favored Glycine 0 C--N 1.383 3.172 0 C-N-CA 126.07 1.795 . . . . 0.0 113.757 176.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.97 -21.57 54.52 Favored 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 123.254 0.622 . . . . 0.0 111.804 178.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -82.19 -31.1 30.57 Favored 'General case' 0 N--CA 1.505 2.291 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.238 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mt -75.48 -36.38 60.65 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.482 1.513 . . . . 0.0 111.84 175.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -29.61 67.27 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 126.189 1.796 . . . . 0.0 111.119 175.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -79.82 -31.67 40.66 Favored 'General case' 0 C--N 1.382 2.004 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.21 -39.09 68.83 Favored 'General case' 0 C--N 1.375 1.688 0 CA-C-N 113.526 -1.67 . . . . 0.0 111.913 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -37.29 74.21 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 123.518 0.727 . . . . 0.0 111.163 174.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.75 -26.8 62.6 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 125.624 1.57 . . . . 0.0 113.003 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -80.22 -30.02 38.56 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 123.53 0.732 . . . . 0.0 110.03 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.73 -41.96 64.64 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 125.529 1.532 . . . . 0.0 110.382 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -72.35 -30.93 65.19 Favored 'General case' 0 N--CA 1.508 2.429 0 C-N-CA 125.898 1.679 . . . . 0.0 113.196 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -76.7 -36.51 57.18 Favored 'General case' 0 N--CA 1.509 2.498 0 C-N-CA 123.687 0.795 . . . . 0.0 112.875 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.51 -33.11 70.83 Favored 'General case' 0 C--N 1.388 2.256 0 C-N-CA 124.955 1.302 . . . . 0.0 111.403 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -34.59 78.51 Favored 'General case' 0 C--N 1.386 2.158 0 C-N-CA 126.447 1.899 . . . . 0.0 112.231 176.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.6 87.88 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 123.484 0.714 . . . . 0.0 111.145 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.97 -27.89 69.14 Favored 'General case' 0 C--N 1.395 2.55 0 C-N-CA 125.275 1.43 . . . . 0.0 113.32 173.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.36 -39.79 86.6 Favored 'Isoleucine or valine' 0 C--N 1.384 2.087 0 C-N-CA 125.42 1.488 . . . . 0.0 108.927 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -68.87 -11.29 60.37 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 126.227 1.811 . . . . 0.0 112.405 175.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -87.25 -39.21 15.63 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 172.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.35 37.44 1.21 Allowed Glycine 0 C--N 1.381 3.072 0 N-CA-C 116.657 1.423 . . . . 0.0 116.657 171.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.93 107.8 20.32 Favored 'General case' 0 C--N 1.375 1.709 0 CA-C-O 121.786 0.803 . . . . 0.0 109.633 177.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.43 -22.57 61.08 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 113.719 -1.582 . . . . 0.0 112.57 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.7 m -71.05 -36.38 72.3 Favored 'General case' 0 CA--C 1.574 1.866 0 C-N-CA 125.336 1.455 . . . . 0.0 110.368 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.68 -22.32 56.8 Favored 'General case' 0 C--N 1.392 2.421 0 C-N-CA 124.075 0.95 . . . . 0.0 111.802 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.0 t -75.38 -49.21 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 C-N-CA 126.722 2.009 . . . . 0.0 109.714 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.13 79.25 Favored 'General case' 0 C--N 1.38 1.899 0 C-N-CA 127.064 2.146 . . . . 0.0 112.512 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.88 -45.97 90.05 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 124.872 1.269 . . . . 0.0 108.836 172.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.83 -39.08 93.38 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 125.002 1.439 . . . . 0.0 111.354 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.15 95.22 Favored 'General case' 0 N--CA 1.511 2.614 0 C-N-CA 124.857 1.263 . . . . 0.0 111.819 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.84 -35.72 72.56 Favored 'General case' 0 N--CA 1.517 2.905 0 C-N-CA 126.202 1.801 . . . . 0.0 111.065 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -70.84 -30.12 66.45 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 126.127 1.771 . . . . 0.0 110.31 174.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -43.66 64.22 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 124.701 1.2 . . . . 0.0 111.652 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.96 82.92 Favored 'General case' 0 C--N 1.39 2.345 0 C-N-CA 125.298 1.439 . . . . 0.0 112.122 178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.76 -37.46 86.42 Favored 'General case' 0 C--N 1.387 2.2 0 C-N-CA 126.294 1.838 . . . . 0.0 111.672 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.44 -27.46 61.44 Favored 'General case' 0 C--N 1.378 1.824 0 C-N-CA 124.03 0.932 . . . . 0.0 112.613 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 37.8 mt -62.9 -46.27 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.566 0 C-N-CA 123.157 0.583 . . . . 0.0 109.83 175.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.58 -43.58 84.55 Favored 'General case' 0 N--CA 1.509 2.512 0 C-N-CA 125.296 1.439 . . . . 0.0 111.955 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.29 -42.91 64.99 Favored 'General case' 0 C--N 1.377 1.788 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.753 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 2.9 mm? -86.3 -45.51 11.18 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -176.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.574 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 17.0 mt-30 -64.2 -38.81 92.39 Favored 'General case' 0 N--CA 1.505 2.301 0 CA-C-N 119.141 0.882 . . . . 0.0 112.572 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -78.55 -43.68 26.05 Favored 'General case' 0 CA--C 1.593 2.619 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -76.54 -31.97 57.94 Favored 'General case' 0 N--CA 1.514 2.744 0 CA-C-N 118.843 0.747 . . . . 0.0 111.004 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.753 ' HB1' ' O ' ' A' ' 86' ' ' LEU . . . -77.51 -22.37 51.28 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 124.801 1.241 . . . . 0.0 109.459 174.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -63.23 -41.8 99.14 Favored 'General case' 0 C--N 1.427 3.946 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.8 p -77.23 -29.96 54.35 Favored 'General case' 0 C--N 1.396 2.594 0 C-N-CA 123.908 0.883 . . . . 0.0 111.008 175.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.72 -25.74 60.81 Favored 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 124.224 1.01 . . . . 0.0 113.146 173.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 m -59.42 -17.41 30.49 Favored 'General case' 0 C--N 1.413 3.343 0 C-N-CA 126.516 1.926 . . . . 0.0 112.86 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.526 3.361 0 C-N-CA 127.394 2.278 . . . . 0.0 114.412 173.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 CA--C 1.57 1.737 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.9 mt -73.51 -28.43 61.9 Favored 'General case' 0 N--CA 1.51 2.561 0 C-N-CA 125.363 1.465 . . . . 0.0 114.417 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -69.9 -30.58 68.04 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 124.553 1.141 . . . . 0.0 110.2 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -68.32 -34.0 75.33 Favored 'General case' 0 C--N 1.386 2.155 0 C-N-CA 125.961 1.705 . . . . 0.0 111.4 174.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 6.0 mpt_? -76.36 -48.92 18.25 Favored 'General case' 0 C--N 1.385 2.119 0 C-N-CA 123.209 0.603 . . . . 0.0 110.537 177.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 mp -61.12 -60.95 2.95 Favored 'General case' 0 CA--C 1.599 2.831 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.41 -43.15 23.91 Favored 'General case' 0 C--N 1.385 2.143 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 42.8 mt-10 -72.05 -35.4 69.31 Favored 'General case' 0 N--CA 1.513 2.68 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.417 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.9 m-85 -66.0 -44.28 85.26 Favored 'General case' 0 C--N 1.391 2.374 0 CA-C-N 118.61 0.641 . . . . 0.0 112.211 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.26 -38.56 75.16 Favored 'General case' 0 C--N 1.391 2.379 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.5 -41.03 80.63 Favored 'General case' 0 N--CA 1.522 3.161 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -67.54 -34.86 77.95 Favored 'General case' 0 N--CA 1.505 2.318 0 C-N-CA 124.461 1.104 . . . . 0.0 111.691 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.18 -29.4 66.27 Favored 'General case' 0 C--N 1.382 1.994 0 C-N-CA 125.071 1.348 . . . . 0.0 112.38 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.79 -44.09 91.09 Favored 'General case' 0 N--CA 1.516 2.838 0 C-N-CA 125.153 1.381 . . . . 0.0 113.908 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -73.5 -39.88 64.51 Favored 'General case' 0 N--CA 1.509 2.517 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.52 -33.15 72.23 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 123.694 0.622 . . . . 0.0 110.271 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.0 -34.06 71.01 Favored 'General case' 0 C--N 1.381 1.939 0 C-N-CA 124.93 1.292 . . . . 0.0 111.783 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.83 91.38 Favored 'General case' 0 C--N 1.41 3.222 0 C-N-CA 125.593 1.557 . . . . 0.0 112.427 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 63.8 mtt -63.68 -39.74 95.08 Favored 'General case' 0 C--N 1.393 2.488 0 O-C-N 125.005 1.44 . . . . 0.0 110.621 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 89.9 mttt -68.55 -39.06 81.25 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 124.755 1.222 . . . . 0.0 109.891 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.66 -38.15 90.03 Favored 'General case' 0 C--N 1.401 2.839 0 C-N-CA 125.541 1.536 . . . . 0.0 114.611 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.94 -39.42 83.45 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 124.389 1.076 . . . . 0.0 110.958 176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -77.54 -21.68 52.22 Favored 'General case' 0 C--N 1.383 2.055 0 C-N-CA 124.562 1.145 . . . . 0.0 112.507 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 38.3 mt-10 -70.43 -36.18 73.82 Favored 'General case' 0 N--CA 1.513 2.678 0 C-N-CA 125.47 1.508 . . . . 0.0 110.728 175.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -66.73 -39.44 87.98 Favored 'General case' 0 C--N 1.387 2.237 0 C-N-CA 124.67 1.188 . . . . 0.0 110.709 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.89 -36.43 75.44 Favored 'General case' 0 C--N 1.392 2.424 0 C-N-CA 125.002 1.321 . . . . 0.0 112.002 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -69.27 -37.5 77.93 Favored 'General case' 0 C--N 1.39 2.359 0 C-N-CA 125.385 1.474 . . . . 0.0 112.085 177.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.19 85.79 Favored 'General case' 0 CA--C 1.571 1.752 0 C-N-CA 124.99 1.316 . . . . 0.0 113.39 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -89.79 -39.67 12.97 Favored 'General case' 0 C--N 1.386 2.158 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -106.0 -29.8 9.71 Favored 'General case' 0 C--N 1.393 2.485 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -175.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 33.9 m80 55.02 29.48 12.44 Favored 'General case' 0 N--CA 1.532 3.659 0 C-N-CA 127.423 2.289 . . . . 0.0 116.676 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.93 139.16 49.7 Favored Pre-proline 0 N--CA 1.503 2.214 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -56.03 -14.9 12.43 Favored 'Trans proline' 1 C--N 1.437 5.222 0 C-N-CA 124.839 3.693 . . . . 0.0 116.97 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -68.06 -39.11 83.07 Favored 'General case' 0 N--CA 1.53 3.527 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -77.81 -29.7 50.85 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 126.953 2.101 . . . . 0.0 109.85 -179.231 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.33 81.36 Favored 'General case' 0 C--N 1.376 1.73 0 C-N-CA 126.793 2.037 . . . . 0.0 110.524 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.13 -33.82 72.3 Favored 'General case' 0 C--N 1.382 1.985 0 O-C-N 124.15 0.906 . . . . 0.0 110.987 173.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.2 -42.94 65.21 Favored 'General case' 0 N--CA 1.51 2.553 0 C-N-CA 125.243 1.417 . . . . 0.0 114.756 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.0 mt -67.33 -42.0 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.192 0 C-N-CA 125.359 1.463 . . . . 0.0 109.099 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.9 m -62.59 -42.06 99.34 Favored 'General case' 0 CA--C 1.587 2.389 0 C-N-CA 125.983 1.713 . . . . 0.0 111.074 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.81 95.46 Favored 'General case' 0 N--CA 1.512 2.657 0 C-N-CA 124.621 1.169 . . . . 0.0 112.118 175.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.17 -27.93 61.93 Favored 'General case' 0 C--N 1.38 1.912 0 C-N-CA 125.303 1.441 . . . . 0.0 112.017 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -37.9 89.07 Favored 'General case' 0 C--N 1.391 2.408 0 C-N-CA 126.286 1.835 . . . . 0.0 112.57 177.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.77 -34.05 60.23 Favored 'General case' 0 C--N 1.388 2.246 0 C-N-CA 125.29 1.436 . . . . 0.0 110.111 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -71.54 -33.87 69.52 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.086 1.355 . . . . 0.0 112.634 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -38.38 87.69 Favored 'General case' 0 C--N 1.38 1.898 0 C-N-CA 124.885 1.274 . . . . 0.0 110.32 174.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.4 p -76.05 -38.24 57.36 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 123.718 0.636 . . . . 0.0 112.071 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -72.34 -28.95 63.38 Favored 'General case' 0 N--CA 1.514 2.752 0 C-N-CA 124.072 0.949 . . . . 0.0 113.326 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 5.4 t -74.19 -39.47 63.15 Favored 'General case' 0 C--N 1.384 2.08 0 C-N-CA 123.9 0.88 . . . . 0.0 109.844 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -60.62 -37.38 81.27 Favored 'General case' 0 C--N 1.391 2.409 0 C-N-CA 125.516 1.526 . . . . 0.0 112.318 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 5.5 m -71.13 -40.87 71.16 Favored 'General case' 0 CA--C 1.58 2.109 0 C-N-CA 125.116 1.366 . . . . 0.0 110.471 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.62 86.18 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 126.348 1.859 . . . . 0.0 113.111 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 28.4 mt -66.98 -40.8 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.011 0 C-N-CA 126.378 1.871 . . . . 0.0 109.96 175.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.4 99.34 Favored 'General case' 0 C--N 1.391 2.389 0 C-N-CA 124.754 1.221 . . . . 0.0 113.445 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.98 -39.81 83.24 Favored 'General case' 0 N--CA 1.515 2.784 0 C-N-CA 125.185 1.394 . . . . 0.0 113.0 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.4 p -70.83 -32.41 69.44 Favored 'General case' 0 N--CA 1.509 2.48 0 C-N-CA 124.654 1.182 . . . . 0.0 112.396 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -72.67 -31.32 64.98 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 124.918 1.287 . . . . 0.0 112.271 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.51 -38.57 84.47 Favored 'General case' 0 N--CA 1.511 2.616 0 C-N-CA 125.0 1.32 . . . . 0.0 113.119 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.3 -37.06 77.63 Favored 'General case' 0 C--N 1.378 1.818 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.072 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.29 -29.23 65.93 Favored 'General case' 0 C--N 1.392 2.454 0 C-N-CA 125.684 1.593 . . . . 0.0 112.25 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -71.24 -29.11 64.71 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.413 1.485 . . . . 0.0 112.553 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.385 2.142 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 N--CA 1.527 3.475 0 N-CA-C 114.881 1.07 . . . . 0.0 114.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mt -100.22 -47.08 5.08 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 123.567 0.747 . . . . 0.0 111.85 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -37.42 54.03 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 125.199 1.399 . . . . 0.0 112.677 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -31.93 70.16 Favored 'General case' 0 C--N 1.38 1.924 0 C-N-CA 124.386 1.074 . . . . 0.0 110.685 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -69.08 -35.79 76.91 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.143 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -71.92 -41.29 68.05 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 124.117 0.967 . . . . 0.0 111.095 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 mt -58.33 -43.3 88.18 Favored 'General case' 0 C--N 1.391 2.41 0 C-N-CA 124.296 1.038 . . . . 0.0 112.126 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -65.83 -38.27 88.43 Favored 'General case' 0 C--N 1.4 2.771 0 C-N-CA 124.729 1.212 . . . . 0.0 114.088 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 11.9 m -67.97 -38.11 82.35 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.839 177.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.72 -30.06 70.52 Favored 'General case' 0 N--CA 1.512 2.632 0 C-N-CA 124.493 1.117 . . . . 0.0 112.274 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -76.28 -46.42 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.429 0 C-N-CA 124.859 1.264 . . . . 0.0 110.245 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.94 -27.4 64.73 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 123.928 0.891 . . . . 0.0 111.057 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.479 ' O ' HD23 ' A' ' 20' ' ' LEU . . . -64.55 -39.48 93.83 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 125.84 1.656 . . . . 0.0 109.505 170.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -25.43 61.03 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 125.075 1.35 . . . . 0.0 111.604 177.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -68.06 -39.01 83.09 Favored 'General case' 0 N--CA 1.513 2.718 0 C-N-CA 125.404 1.482 . . . . 0.0 111.556 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 p -88.13 -22.08 24.29 Favored 'General case' 0 CA--C 1.561 1.397 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 16' ' ' ALA . 3.7 mm? -94.13 -15.54 24.59 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 126.236 1.815 . . . . 0.0 112.908 -176.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.4 mt -108.0 -71.95 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.841 0 N-CA-C 100.496 -3.891 . . . . 0.0 100.496 172.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.451 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 50.39 -95.57 0.01 OUTLIER Glycine 0 N--CA 1.49 2.28 0 O-C-N 127.569 3.043 . . . . 0.0 112.371 175.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -64.64 -8.68 18.12 Favored 'Trans proline' 1 C--N 1.419 4.276 0 C-N-CA 123.613 2.875 . . . . 0.0 115.696 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 mp -89.62 -4.65 57.71 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 126.351 1.86 . . . . 0.0 112.262 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 22' ' ' GLY . . . . . . . . 0 N--CA 1.51 2.561 0 C-N-CA 126.951 2.1 . . . . 0.0 116.275 175.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 122.023 0.916 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -82.82 -11.0 58.59 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 113.598 -1.637 . . . . 0.0 113.788 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -80.24 -23.15 41.04 Favored 'General case' 0 N--CA 1.503 2.21 0 C-N-CA 123.961 0.905 . . . . 0.0 112.24 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.87 -3.42 42.01 Favored 'General case' 0 C--N 1.382 2.007 0 C-N-CA 124.357 1.063 . . . . 0.0 112.048 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -120.39 155.61 33.08 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 123.928 0.891 . . . . 0.0 113.244 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.58 112.16 17.67 Favored 'General case' 0 C--N 1.377 1.802 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.3 t -139.82 156.52 46.69 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.898 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -106.99 48.09 0.85 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -176.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.01 -69.44 0.49 Allowed Glycine 0 N--CA 1.489 2.188 0 N-CA-C 118.346 2.098 . . . . 0.0 118.346 171.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -176.63 59.27 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.425 0 CA-C-N 119.52 1.66 . . . . 0.0 109.985 -178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -137.73 140.21 40.57 Favored 'General case' 0 CA--C 1.562 1.407 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 -177.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.31 -23.65 62.88 Favored 'General case' 0 N--CA 1.525 3.285 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 170.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.75 -38.2 95.54 Favored Glycine 0 C--N 1.382 3.11 0 O-C-N 124.919 1.387 . . . . 0.0 114.113 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.28 -27.16 47.33 Favored 'General case' 0 C--N 1.392 2.436 0 C-N-CA 123.636 0.774 . . . . 0.0 112.657 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -80.76 -30.72 36.04 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -76.41 -37.96 56.3 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 124.834 1.254 . . . . 0.0 112.997 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -30.69 68.52 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 125.315 1.446 . . . . 0.0 111.411 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -81.31 -29.5 34.2 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 123.633 0.773 . . . . 0.0 109.575 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.38 -39.76 64.88 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 124.822 1.326 . . . . 0.0 111.994 177.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -67.21 -38.92 86.11 Favored 'General case' 0 N--CA 1.503 2.223 0 C-N-CA 125.178 1.391 . . . . 0.0 111.069 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -74.2 -27.25 60.71 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 126.331 1.852 . . . . 0.0 113.312 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 m -79.16 -30.56 43.59 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 123.543 0.737 . . . . 0.0 110.529 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tp -71.73 -40.13 69.61 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 125.017 1.327 . . . . 0.0 110.344 177.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 78.7 p -70.49 -34.89 72.87 Favored 'General case' 0 N--CA 1.506 2.357 0 C-N-CA 125.42 1.488 . . . . 0.0 113.951 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -76.24 -38.51 56.21 Favored 'General case' 0 N--CA 1.516 2.85 0 CA-C-N 119.378 0.99 . . . . 0.0 112.93 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.41 -35.98 80.38 Favored 'General case' 0 C--N 1.387 2.215 0 C-N-CA 124.714 1.206 . . . . 0.0 111.434 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.401 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -65.59 -31.6 72.73 Favored 'General case' 0 C--N 1.39 2.343 0 C-N-CA 125.661 1.584 . . . . 0.0 111.614 176.582 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.68 94.5 Favored 'General case' 0 C--N 1.389 2.287 0 C-N-CA 124.261 1.024 . . . . 0.0 113.492 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.27 -30.81 67.93 Favored 'General case' 0 N--CA 1.512 2.638 0 C-N-CA 123.401 0.68 . . . . 0.0 112.119 174.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 56.0 t -60.95 -39.89 83.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.797 0 C-N-CA 126.548 1.939 . . . . 0.0 110.107 175.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -53.95 -32.75 54.8 Favored 'General case' 0 C--N 1.397 2.64 0 C-N-CA 125.275 1.43 . . . . 0.0 112.912 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -69.53 -38.13 77.39 Favored 'General case' 0 C--N 1.4 2.778 0 C-N-CA 125.534 1.534 . . . . 0.0 112.292 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.01 32.26 3.11 Favored Glycine 0 C--N 1.374 2.664 0 N-CA-C 115.951 1.14 . . . . 0.0 115.951 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.92 114.65 22.28 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-O 121.927 0.87 . . . . 0.0 109.157 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.27 -34.54 76.37 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 112.607 -2.088 . . . . 0.0 113.146 -176.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.5 m -71.45 -38.01 71.34 Favored 'General case' 0 CA--C 1.575 1.917 0 C-N-CA 124.425 1.09 . . . . 0.0 111.174 177.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -75.14 -22.72 57.96 Favored 'General case' 0 N--CA 1.509 2.491 0 C-N-CA 123.77 0.828 . . . . 0.0 112.417 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 t -77.5 -47.1 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 125.473 1.509 . . . . 0.0 110.026 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.78 -38.0 82.81 Favored 'General case' 0 C--N 1.39 2.336 0 C-N-CA 127.469 2.307 . . . . 0.0 112.658 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -40.26 95.23 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 126.484 1.914 . . . . 0.0 109.828 172.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 tt -72.5 -37.98 68.25 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.928 1.291 . . . . 0.0 109.947 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.46 -40.4 97.02 Favored 'General case' 0 N--CA 1.514 2.727 0 C-N-CA 125.006 1.322 . . . . 0.0 112.299 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.72 -37.48 73.53 Favored 'General case' 0 N--CA 1.516 2.871 0 C-N-CA 126.098 1.759 . . . . 0.0 110.977 176.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -72.25 -30.17 64.62 Favored 'General case' 0 CA--C 1.573 1.827 0 C-N-CA 125.339 1.456 . . . . 0.0 110.822 174.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.5 -46.03 60.85 Favored 'General case' 0 C--N 1.375 1.714 0 C-N-CA 124.607 1.163 . . . . 0.0 112.104 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.05 -40.44 82.82 Favored 'General case' 0 C--N 1.388 2.259 0 C-N-CA 124.918 1.287 . . . . 0.0 112.854 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.33 -37.82 83.9 Favored 'General case' 0 C--N 1.39 2.345 0 C-N-CA 126.123 1.769 . . . . 0.0 112.271 178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -73.81 -27.26 61.03 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 123.653 0.781 . . . . 0.0 112.621 176.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 39.9 mt -63.4 -46.13 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.523 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.2 mt-10 -65.73 -44.73 85.11 Favored 'General case' 0 N--CA 1.507 2.384 0 C-N-CA 124.738 1.215 . . . . 0.0 112.071 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.74 -43.88 57.87 Favored 'General case' 0 C--N 1.377 1.787 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.6 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 8.6 mp -86.84 -42.99 12.81 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -175.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.534 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 4.6 mt-30 -67.13 -40.14 86.72 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 123.845 0.716 . . . . 0.0 112.058 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.4 mtt180 -79.43 -39.38 32.5 Favored 'General case' 0 C--N 1.385 2.11 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -75.72 -28.83 58.73 Favored 'General case' 0 C--N 1.39 2.355 0 CA-C-N 118.957 0.799 . . . . 0.0 110.543 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.6 ' HB1' ' O ' ' A' ' 86' ' ' LEU . . . -75.25 -29.18 60.13 Favored 'General case' 0 C--N 1.39 2.343 0 C-N-CA 123.954 0.901 . . . . 0.0 109.169 173.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -71.13 -33.32 69.99 Favored 'General case' 0 C--N 1.41 3.236 0 C-N-CA 124.902 1.281 . . . . 0.0 114.061 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.3 p -85.72 -23.09 27.5 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 123.811 0.844 . . . . 0.0 110.636 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.58 -25.62 50.14 Favored 'General case' 0 C--N 1.39 2.369 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.812 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.2 p -75.14 -10.82 59.83 Favored 'General case' 0 N--CA 1.515 2.782 0 C-N-CA 125.99 1.716 . . . . 0.0 112.299 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.489 1.504 0 C-N-CA 124.492 1.117 . . . . 0.0 112.832 176.649 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.498 1.96 0 N-CA-C 111.24 0.089 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -29.26 58.85 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.944 1.298 . . . . 0.0 113.821 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -67.84 -36.66 80.72 Favored 'General case' 0 C--N 1.386 2.161 0 C-N-CA 123.995 0.918 . . . . 0.0 112.428 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.97 -37.31 85.66 Favored 'General case' 0 C--N 1.39 2.351 0 C-N-CA 125.836 1.654 . . . . 0.0 111.452 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 2.0 mpt_? -69.88 -47.87 60.91 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 124.122 0.969 . . . . 0.0 110.666 175.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.9 mp -59.12 -61.41 2.65 Favored 'General case' 0 CA--C 1.594 2.639 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.88 -48.0 8.15 Favored 'General case' 0 C--N 1.383 2.057 0 N-CA-C 116.524 2.046 . . . . 0.0 116.524 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.29 -37.39 71.86 Favored 'General case' 0 N--CA 1.51 2.55 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -178.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.476 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 17.3 m-85 -73.86 -32.23 63.54 Favored 'General case' 0 C--N 1.392 2.432 0 CA-C-N 118.474 0.579 . . . . 0.0 112.116 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -65.95 -38.11 87.77 Favored 'General case' 0 C--N 1.399 2.759 0 CA-C-O 118.613 -0.708 . . . . 0.0 112.506 175.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.92 -41.26 95.71 Favored 'General case' 0 N--CA 1.52 3.05 0 C-N-CA 125.288 1.435 . . . . 0.0 114.277 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -65.97 -37.2 85.38 Favored 'General case' 0 N--CA 1.508 2.435 0 C-N-CA 124.5 1.12 . . . . 0.0 112.491 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.79 -31.0 68.68 Favored 'General case' 0 C--N 1.378 1.828 0 C-N-CA 124.97 1.308 . . . . 0.0 112.229 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -64.99 -42.43 94.52 Favored 'General case' 0 N--CA 1.513 2.688 0 C-N-CA 125.57 1.548 . . . . 0.0 114.15 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -73.08 -38.67 66.34 Favored 'General case' 0 N--CA 1.508 2.426 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.78 -32.89 73.2 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 123.455 0.472 . . . . 0.0 110.128 173.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.19 -31.49 67.7 Favored 'General case' 0 C--N 1.382 1.995 0 C-N-CA 125.201 1.4 . . . . 0.0 112.328 175.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.6 -37.95 83.3 Favored 'General case' 0 C--N 1.406 3.059 0 C-N-CA 125.127 1.371 . . . . 0.0 111.327 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.75 -38.21 90.23 Favored 'General case' 0 C--N 1.395 2.571 0 C-N-CA 125.432 1.493 . . . . 0.0 110.623 176.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -66.87 -39.07 87.43 Favored 'General case' 0 C--N 1.39 2.342 0 C-N-CA 125.148 1.379 . . . . 0.0 110.653 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -72.99 -45.85 55.6 Favored 'General case' 0 C--N 1.392 2.448 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.09 -40.83 78.17 Favored 'General case' 0 N--CA 1.515 2.821 0 C-N-CA 124.501 1.12 . . . . 0.0 113.785 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.51 -33.19 72.47 Favored 'General case' 0 N--CA 1.502 2.175 0 C-N-CA 124.51 1.124 . . . . 0.0 111.415 178.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 31.9 tt0 -68.32 -36.52 79.41 Favored 'General case' 0 C--N 1.383 2.031 0 C-N-CA 125.397 1.479 . . . . 0.0 113.054 177.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -68.16 -43.77 77.51 Favored 'General case' 0 N--CA 1.509 2.475 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.97 -37.95 72.76 Favored 'General case' 0 C--N 1.39 2.33 0 CA-C-N 113.864 -1.516 . . . . 0.0 112.985 -177.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -87.61 -13.81 41.76 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 123.774 0.83 . . . . 0.0 113.029 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -63.81 -36.86 85.27 Favored 'General case' 0 N--CA 1.519 2.978 0 C-N-CA 125.678 1.591 . . . . 0.0 111.386 176.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -75.47 -16.01 60.36 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 126.028 1.731 . . . . 0.0 112.854 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -99.11 -27.39 13.85 Favored 'General case' 0 CA--C 1.579 2.081 0 C-N-CA 125.148 1.379 . . . . 0.0 110.518 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.36 24.94 3.16 Favored 'General case' 0 N--CA 1.528 3.447 0 C-N-CA 128.195 2.598 . . . . 0.0 116.163 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.441 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 6.7 m-20 -93.99 149.72 37.37 Favored Pre-proline 0 CA--C 1.578 2.056 0 CA-C-O 117.724 -1.131 . . . . 0.0 111.946 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -49.7 -8.41 0.11 Allowed 'Trans proline' 2 C--N 1.442 5.496 1 C-N-CA 125.949 4.433 . . . . 0.0 118.708 178.88 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -67.58 -17.85 64.78 Favored 'General case' 0 N--CA 1.518 2.969 0 C-N-CA 124.266 1.026 . . . . 0.0 113.611 -178.365 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 138' ' ' ASP . 0.5 OUTLIER -76.89 -34.14 57.77 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.605 1.562 . . . . 0.0 109.965 177.34 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.51 -35.73 70.84 Favored 'General case' 0 C--N 1.386 2.175 0 C-N-CA 124.738 1.215 . . . . 0.0 111.011 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.22 -38.01 78.33 Favored 'General case' 0 CA--C 1.574 1.891 0 C-N-CA 123.961 0.904 . . . . 0.0 111.99 176.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 8.5 mt-10 -77.02 -47.29 21.06 Favored 'General case' 0 N--CA 1.512 2.63 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.4 mt -69.27 -41.57 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.911 0 C-N-CA 124.502 1.121 . . . . 0.0 110.897 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 93.0 m -62.56 -40.0 95.45 Favored 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 124.849 1.26 . . . . 0.0 110.982 177.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.26 97.86 Favored 'General case' 0 N--CA 1.513 2.68 0 C-N-CA 124.453 1.101 . . . . 0.0 113.221 177.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.08 -27.25 57.13 Favored 'General case' 0 C--N 1.381 1.937 0 C-N-CA 124.784 1.234 . . . . 0.0 111.973 177.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -37.01 81.23 Favored 'General case' 0 C--N 1.39 2.35 0 C-N-CA 125.951 1.701 . . . . 0.0 112.708 177.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -75.18 -36.7 61.45 Favored 'General case' 0 C--N 1.388 2.271 0 C-N-CA 125.491 1.516 . . . . 0.0 110.073 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -70.68 -35.1 72.65 Favored 'General case' 0 C--N 1.385 2.117 0 C-N-CA 125.532 1.533 . . . . 0.0 112.461 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.13 -39.74 95.55 Favored 'General case' 0 C--N 1.383 2.056 0 C-N-CA 124.764 1.226 . . . . 0.0 109.938 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.9 p -78.04 -40.28 39.27 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 124.015 0.822 . . . . 0.0 113.155 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -70.7 -36.68 73.39 Favored 'General case' 0 N--CA 1.512 2.636 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 15.0 p -75.09 -38.41 61.21 Favored 'General case' 0 C--N 1.38 1.9 0 CA-C-O 118.961 -0.543 . . . . 0.0 112.287 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -64.02 -37.68 88.31 Favored 'General case' 0 C--N 1.385 2.129 0 C-N-CA 124.993 1.317 . . . . 0.0 112.773 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 23.0 m -72.32 -44.09 63.19 Favored 'General case' 0 N--CA 1.5 2.025 0 C-N-CA 124.564 1.145 . . . . 0.0 112.195 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.69 78.25 Favored 'General case' 0 C--N 1.377 1.768 0 C-N-CA 125.276 1.43 . . . . 0.0 113.115 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 35.8 mt -71.14 -40.21 74.76 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.871 0 C-N-CA 125.477 1.511 . . . . 0.0 111.185 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.67 97.03 Favored 'General case' 0 C--N 1.396 2.596 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.99 -41.79 77.35 Favored 'General case' 0 N--CA 1.514 2.757 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.8 p -71.12 -37.95 72.32 Favored 'General case' 0 N--CA 1.51 2.538 0 C-N-CA 124.01 0.924 . . . . 0.0 112.926 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -72.03 -34.39 68.76 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 123.962 0.905 . . . . 0.0 112.579 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -65.6 -36.3 83.33 Favored 'General case' 0 N--CA 1.514 2.753 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.87 -33.31 70.49 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 124.481 1.112 . . . . 0.0 111.668 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.5 mt -79.87 -36.56 36.42 Favored 'General case' 0 N--CA 1.501 2.1 0 C-N-CA 125.18 1.392 . . . . 0.0 112.541 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.67 -26.45 59.86 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 125.753 1.621 . . . . 0.0 114.38 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? . . . . . 0 C--N 1.398 2.701 0 C-N-CA 126.914 2.086 . . . . 0.0 113.16 -178.043 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo . . . . . 0 N--CA 1.527 3.493 0 N-CA-C 117.286 1.995 . . . . 0.0 117.286 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mt -74.54 -36.29 63.14 Favored 'General case' 0 N--CA 1.506 2.334 0 C-N-CA 123.88 0.872 . . . . 0.0 111.832 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -34.03 55.2 Favored 'General case' 0 C--N 1.375 1.683 0 C-N-CA 125.472 1.509 . . . . 0.0 112.303 178.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.61 -31.68 68.75 Favored 'General case' 0 C--N 1.381 1.943 0 C-N-CA 124.174 0.989 . . . . 0.0 109.248 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -66.28 -38.07 86.92 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.566 1.146 . . . . 0.0 111.661 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.8 m -71.69 -41.16 68.98 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 124.187 0.995 . . . . 0.0 110.918 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mt -58.4 -43.74 88.71 Favored 'General case' 0 C--N 1.387 2.218 0 O-C-N 124.32 1.012 . . . . 0.0 112.231 173.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -65.68 -39.94 91.82 Favored 'General case' 0 C--N 1.4 2.795 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.464 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 2.4 m -70.2 -36.99 74.97 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.47 178.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.76 -30.5 71.49 Favored 'General case' 0 N--CA 1.505 2.321 0 C-N-CA 124.158 0.983 . . . . 0.0 111.638 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.7 t -75.95 -46.01 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.359 0 C-N-CA 125.524 1.529 . . . . 0.0 111.038 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.26 68.48 Favored 'General case' 0 N--CA 1.505 2.311 0 C-N-CA 123.351 0.661 . . . . 0.0 111.405 175.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 12' ' ' THR . . . -66.15 -40.11 90.31 Favored 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 125.567 1.547 . . . . 0.0 110.334 171.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -36.2 70.64 Favored 'General case' 0 C--N 1.38 1.915 0 C-N-CA 124.382 1.073 . . . . 0.0 110.886 178.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -59.67 -41.53 90.85 Favored 'General case' 0 N--CA 1.505 2.3 0 C-N-CA 127.484 2.314 . . . . 0.0 111.647 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.28 -15.16 59.57 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 177.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.64 -19.48 17.52 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.534 1.133 . . . . 0.0 109.738 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.39 15.41 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 127.206 2.202 . . . . 0.0 111.555 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.81 -78.96 0.15 Allowed Glycine 0 N--CA 1.486 2.028 0 CA-C-O 117.353 -1.804 . . . . 0.0 114.453 -173.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -66.2 -2.04 6.36 Favored 'Trans proline' 0 CA--C 1.602 3.916 0 C-N-CA 123.469 2.779 . . . . 0.0 116.838 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 mt -90.74 -13.13 34.64 Favored 'General case' 0 CA--C 1.584 2.262 0 C-N-CA 125.352 1.461 . . . . 0.0 112.522 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.513 2.702 0 C-N-CA 127.492 2.317 . . . . 0.0 115.405 177.441 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.906 0 CA-C-O 122.079 0.943 . . . . 0.0 109.163 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -83.0 7.02 16.83 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 113.589 -1.642 . . . . 0.0 113.526 -177.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -79.47 -28.11 41.55 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.304 1.042 . . . . 0.0 110.574 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.44 -6.88 32.9 Favored 'General case' 0 C--N 1.391 2.412 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -117.12 153.67 32.38 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 122.957 0.503 . . . . 0.0 112.294 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.01 109.54 14.23 Favored 'General case' 0 C--N 1.381 1.967 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.6 t -157.73 140.41 14.8 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 113.406 -1.725 . . . . 0.0 108.575 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -83.05 -31.65 27.26 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.219 -1.355 . . . . 0.0 112.835 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.21 81.75 1.32 Allowed Glycine 0 C--N 1.377 2.828 0 N-CA-C 107.717 -2.153 . . . . 0.0 107.717 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.79 -54.06 1.14 Allowed 'General case' 0 C--N 1.377 1.782 0 CA-C-O 121.177 0.513 . . . . 0.0 110.639 -173.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HG2' ' H ' ' A' ' 47' ' ' GLY 0.257 55.9 ttt180 -177.58 175.59 1.38 Allowed 'General case' 0 C--N 1.413 3.347 0 O-C-N 126.134 2.146 . . . . 0.0 112.477 -172.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.1 mt -67.86 -22.01 65.14 Favored 'General case' 0 N--CA 1.537 3.896 0 C-N-CA 125.228 1.411 . . . . 0.0 108.683 168.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.408 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.91 -35.03 81.12 Favored Glycine 0 C--N 1.375 2.737 0 C-N-CA 126.355 1.931 . . . . 0.0 114.822 177.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.06 -21.41 54.5 Favored 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 117.721 0.761 . . . . 0.0 111.791 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -81.98 -32.56 30.59 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.827 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -77.12 -35.1 56.56 Favored 'General case' 0 C--N 1.372 1.578 0 C-N-CA 124.953 1.301 . . . . 0.0 112.621 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.62 -38.88 77.41 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 125.3 1.44 . . . . 0.0 111.6 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -74.37 -30.07 61.83 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 123.485 0.714 . . . . 0.0 111.424 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.11 -38.91 69.23 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 113.848 -1.524 . . . . 0.0 111.684 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -37.68 75.95 Favored 'General case' 0 N--CA 1.502 2.165 0 C-N-CA 123.989 0.916 . . . . 0.0 110.84 175.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.91 -24.49 61.65 Favored 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 126.211 1.804 . . . . 0.0 112.551 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.14 -31.41 39.01 Favored 'General case' 0 C--N 1.382 1.997 0 C-N-CA 123.755 0.822 . . . . 0.0 109.809 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.3 tp -72.71 -40.2 66.36 Favored 'General case' 0 C--N 1.384 2.097 0 C-N-CA 124.911 1.284 . . . . 0.0 110.809 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.2 p -71.82 -32.38 67.51 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 125.783 1.633 . . . . 0.0 113.066 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -77.46 -35.27 54.02 Favored 'General case' 0 N--CA 1.507 2.406 0 C-N-CA 123.609 0.764 . . . . 0.0 112.657 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -71.03 -32.55 69.33 Favored 'General case' 0 C--N 1.386 2.195 0 C-N-CA 124.898 1.279 . . . . 0.0 111.358 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -32.93 74.49 Favored 'General case' 0 C--N 1.387 2.227 0 C-N-CA 126.306 1.842 . . . . 0.0 111.864 176.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.6 89.29 Favored 'General case' 0 C--N 1.392 2.454 0 C-N-CA 123.816 0.846 . . . . 0.0 111.284 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.62 -27.9 69.25 Favored 'General case' 0 C--N 1.395 2.571 0 C-N-CA 125.235 1.414 . . . . 0.0 113.475 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 82.1 t -64.32 -38.91 83.76 Favored 'Isoleucine or valine' 0 C--N 1.382 2.002 0 C-N-CA 125.391 1.476 . . . . 0.0 108.58 175.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -68.94 -11.71 60.94 Favored 'General case' 0 N--CA 1.502 2.169 0 C-N-CA 125.824 1.649 . . . . 0.0 112.263 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -88.11 -39.23 14.74 Favored 'General case' 0 C--N 1.38 1.926 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 172.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.85 39.87 0.87 Allowed Glycine 0 C--N 1.381 3.046 0 N-CA-C 116.889 1.516 . . . . 0.0 116.889 171.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.05 105.31 16.03 Favored 'General case' 0 C--N 1.374 1.673 0 CA-C-O 121.676 0.75 . . . . 0.0 109.459 176.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.15 -20.95 60.81 Favored 'General case' 0 N--CA 1.505 2.29 0 CA-C-N 114.048 -1.433 . . . . 0.0 112.3 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.9 m -71.1 -36.57 72.23 Favored 'General case' 0 CA--C 1.569 1.703 0 C-N-CA 125.504 1.522 . . . . 0.0 110.215 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -75.47 -22.12 57.51 Favored 'General case' 0 C--N 1.393 2.461 0 C-N-CA 124.087 0.955 . . . . 0.0 111.791 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.5 t -75.68 -49.4 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 C-N-CA 126.607 1.963 . . . . 0.0 109.968 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.0 -36.45 80.01 Favored 'General case' 0 C--N 1.379 1.862 0 C-N-CA 127.018 2.127 . . . . 0.0 112.691 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -46.93 84.43 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 125.924 1.689 . . . . 0.0 108.939 173.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.2 -40.52 97.73 Favored 'General case' 0 N--CA 1.509 2.501 0 O-C-N 124.792 1.308 . . . . 0.0 111.457 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.01 95.36 Favored 'General case' 0 N--CA 1.511 2.581 0 C-N-CA 124.779 1.231 . . . . 0.0 112.898 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.75 -37.88 73.47 Favored 'General case' 0 N--CA 1.519 2.992 0 C-N-CA 126.071 1.748 . . . . 0.0 111.64 177.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -71.04 -30.34 66.51 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 124.996 1.318 . . . . 0.0 110.24 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.85 -47.04 70.07 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 124.522 1.129 . . . . 0.0 112.162 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.44 -40.06 81.26 Favored 'General case' 0 C--N 1.384 2.101 0 C-N-CA 124.789 1.236 . . . . 0.0 113.257 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.44 81.81 Favored 'General case' 0 C--N 1.389 2.294 0 C-N-CA 125.712 1.605 . . . . 0.0 112.492 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -73.83 -27.31 61.04 Favored 'General case' 0 C--N 1.376 1.736 0 C-N-CA 123.957 0.903 . . . . 0.0 112.642 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.7 mt -63.04 -46.28 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.564 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.45 -44.58 82.42 Favored 'General case' 0 N--CA 1.505 2.29 0 C-N-CA 124.652 1.181 . . . . 0.0 112.355 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.35 -45.24 56.24 Favored 'General case' 0 C--N 1.379 1.863 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.685 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 6.4 mp -85.11 -45.64 11.88 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -175.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -65.53 -36.87 85.09 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -76.54 -41.02 48.12 Favored 'General case' 0 CA--C 1.595 2.7 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -75.26 -29.7 60.25 Favored 'General case' 0 C--N 1.402 2.856 0 CA-C-N 118.962 0.801 . . . . 0.0 109.78 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.685 ' HB1' ' O ' ' A' ' 86' ' ' LEU . . . -77.38 -22.87 51.03 Favored 'General case' 0 C--N 1.384 2.075 0 C-N-CA 125.646 1.578 . . . . 0.0 110.801 174.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.16 95.6 Favored 'General case' 0 C--N 1.41 3.219 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 p -78.8 -27.74 44.49 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 124.058 0.943 . . . . 0.0 111.726 174.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.64 -28.33 63.62 Favored 'General case' 0 N--CA 1.502 2.158 0 C-N-CA 124.676 1.191 . . . . 0.0 112.424 173.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -8.43 1.3 Allowed 'General case' 0 C--N 1.421 3.705 0 C-N-CA 127.08 2.152 . . . . 0.0 112.845 175.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.503 2.198 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 178.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 . . . . . 0 CA--C 1.562 1.436 0 CA-C-O 119.189 -0.434 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 46.5 mt -63.73 -47.34 81.43 Favored 'General case' 0 N--CA 1.512 2.656 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -71.06 -36.84 72.44 Favored 'General case' 0 C--N 1.376 1.723 0 C-N-CA 125.599 1.56 . . . . 0.0 110.302 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.57 -29.68 69.81 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 124.686 1.195 . . . . 0.0 111.33 173.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.579 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -77.1 -48.82 16.74 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 123.324 0.65 . . . . 0.0 110.206 175.21 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.99 -63.69 1.05 Allowed 'General case' 0 CA--C 1.595 2.682 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.03 -43.58 28.97 Favored 'General case' 0 C--N 1.384 2.108 0 N-CA-C 117.347 2.351 . . . . 0.0 117.347 -177.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -75.07 -29.62 60.73 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.579 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.1 m-85 -70.78 -37.57 73.35 Favored 'General case' 0 C--N 1.389 2.285 0 CA-C-O 118.795 -0.621 . . . . 0.0 111.337 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -66.09 -39.71 90.21 Favored 'General case' 0 N--CA 1.509 2.506 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.19 -42.9 71.78 Favored 'General case' 0 N--CA 1.52 3.058 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -70.85 -35.67 72.53 Favored 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 124.031 0.932 . . . . 0.0 112.641 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -73.75 -24.3 59.86 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 124.511 1.124 . . . . 0.0 111.879 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -65.58 -49.39 68.98 Favored 'General case' 0 C--N 1.392 2.426 0 C-N-CA 125.513 1.525 . . . . 0.0 113.547 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -75.02 -34.46 61.9 Favored 'General case' 0 N--CA 1.51 2.533 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.9 -32.74 73.15 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 123.843 0.715 . . . . 0.0 110.018 172.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.39 -34.01 70.01 Favored 'General case' 0 C--N 1.384 2.095 0 C-N-CA 124.674 1.19 . . . . 0.0 112.524 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.43 93.48 Favored 'General case' 0 C--N 1.407 3.096 0 C-N-CA 125.646 1.579 . . . . 0.0 112.141 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 64.2 mtt -64.52 -39.42 93.74 Favored 'General case' 0 C--N 1.389 2.297 0 O-C-N 125.053 1.47 . . . . 0.0 110.339 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 96.3 mttt -68.86 -38.07 79.52 Favored 'General case' 0 C--N 1.389 2.318 0 C-N-CA 124.559 1.144 . . . . 0.0 110.351 175.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -63.9 -38.43 91.06 Favored 'General case' 0 C--N 1.401 2.811 0 C-N-CA 125.511 1.524 . . . . 0.0 114.551 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.13 -40.1 82.56 Favored 'General case' 0 N--CA 1.506 2.349 0 C-N-CA 124.356 1.063 . . . . 0.0 111.263 177.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -75.48 -24.78 56.97 Favored 'General case' 0 C--N 1.382 2.021 0 C-N-CA 124.448 1.099 . . . . 0.0 112.593 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 38.5 mt-10 -69.29 -37.05 77.65 Favored 'General case' 0 N--CA 1.515 2.775 0 C-N-CA 125.42 1.488 . . . . 0.0 111.454 176.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -66.89 -38.61 86.61 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 124.731 1.212 . . . . 0.0 110.742 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.91 -36.29 75.26 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 125.007 1.323 . . . . 0.0 111.811 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -69.37 -36.47 76.85 Favored 'General case' 0 C--N 1.392 2.442 0 C-N-CA 125.203 1.401 . . . . 0.0 112.143 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.06 -37.09 84.97 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 124.975 1.31 . . . . 0.0 113.134 176.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -90.21 -39.38 12.83 Favored 'General case' 0 C--N 1.387 2.232 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -107.05 -30.0 9.07 Favored 'General case' 0 C--N 1.393 2.494 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -175.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 55.94 26.88 10.34 Favored 'General case' 0 N--CA 1.533 3.692 0 C-N-CA 127.398 2.279 . . . . 0.0 116.398 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.78 139.33 62.24 Favored Pre-proline 0 N--CA 1.504 2.265 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -56.38 -15.84 16.27 Favored 'Trans proline' 1 C--N 1.438 5.258 0 C-N-CA 124.741 3.628 . . . . 0.0 116.394 177.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 52.2 mt-30 -69.04 -38.28 79.06 Favored 'General case' 0 N--CA 1.527 3.376 0 C-N-CA 124.369 1.068 . . . . 0.0 113.128 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -78.18 -29.48 48.57 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 126.654 1.981 . . . . 0.0 109.914 -179.307 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.71 78.34 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 126.735 2.014 . . . . 0.0 110.262 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.41 -33.19 71.07 Favored 'General case' 0 C--N 1.381 1.965 0 C-N-CA 124.163 0.985 . . . . 0.0 110.863 173.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 37.6 mt-10 -72.36 -43.41 64.07 Favored 'General case' 0 N--CA 1.512 2.664 0 C-N-CA 125.083 1.353 . . . . 0.0 114.555 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.6 mt -66.95 -43.23 89.38 Favored 'Isoleucine or valine' 0 C--N 1.407 3.101 0 C-N-CA 125.141 1.376 . . . . 0.0 109.091 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.3 m -62.19 -41.95 98.82 Favored 'General case' 0 CA--C 1.588 2.407 0 C-N-CA 125.98 1.712 . . . . 0.0 111.352 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.93 90.43 Favored 'General case' 0 N--CA 1.513 2.69 0 C-N-CA 124.464 1.106 . . . . 0.0 111.904 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 25.0 mt -73.24 -27.09 61.39 Favored 'General case' 0 C--N 1.38 1.897 0 C-N-CA 125.267 1.427 . . . . 0.0 112.164 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.78 -37.16 86.33 Favored 'General case' 0 C--N 1.393 2.476 0 C-N-CA 125.696 1.598 . . . . 0.0 111.606 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -75.18 -36.79 61.44 Favored 'General case' 0 C--N 1.39 2.362 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.322 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -71.26 -35.12 71.28 Favored 'General case' 0 C--N 1.387 2.2 0 C-N-CA 124.919 1.288 . . . . 0.0 113.112 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -38.36 90.76 Favored 'General case' 0 C--N 1.379 1.872 0 C-N-CA 124.605 1.162 . . . . 0.0 110.017 175.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.5 p -77.63 -39.65 44.51 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 124.031 0.832 . . . . 0.0 112.675 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -70.48 -34.32 72.24 Favored 'General case' 0 N--CA 1.517 2.895 0 C-N-CA 124.177 0.991 . . . . 0.0 113.636 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 80.8 m -71.37 -38.72 71.55 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 123.685 0.794 . . . . 0.0 110.435 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -57.78 -38.9 76.26 Favored 'General case' 0 C--N 1.393 2.466 0 C-N-CA 125.884 1.674 . . . . 0.0 113.184 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.01 -42.55 47.66 Favored 'General case' 0 CA--C 1.578 2.025 0 C-N-CA 124.475 1.11 . . . . 0.0 112.343 178.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.87 -38.46 83.1 Favored 'General case' 0 C--N 1.38 1.922 0 C-N-CA 125.58 1.552 . . . . 0.0 113.502 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 29.6 mt -69.22 -40.47 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.796 0 C-N-CA 125.946 1.698 . . . . 0.0 110.845 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.48 -42.47 98.57 Favored 'General case' 0 C--N 1.391 2.409 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.81 -41.56 71.44 Favored 'General case' 0 N--CA 1.515 2.796 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.2 p -70.87 -37.75 73.08 Favored 'General case' 0 N--CA 1.511 2.617 0 C-N-CA 124.312 1.045 . . . . 0.0 113.507 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -75.29 -28.96 59.95 Favored 'General case' 0 C--N 1.376 1.728 0 C-N-CA 123.973 0.909 . . . . 0.0 112.973 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -68.54 -37.66 80.15 Favored 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.44 73.46 Favored 'General case' 0 C--N 1.377 1.768 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.84 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.8 mt -73.85 -32.42 63.64 Favored 'General case' 0 C--N 1.388 2.263 0 C-N-CA 125.743 1.617 . . . . 0.0 112.631 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.06 -27.09 61.54 Favored 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 125.295 1.438 . . . . 0.0 113.358 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.381 1.953 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo . . . . . 0 N--CA 1.516 2.849 0 N-CA-C 114.795 1.036 . . . . 0.0 114.795 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -99.42 -46.58 5.45 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 123.494 0.718 . . . . 0.0 111.552 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -41.22 42.17 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 125.485 1.514 . . . . 0.0 112.575 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -33.38 73.22 Favored 'General case' 0 C--N 1.382 2.001 0 O-C-N 124.557 1.161 . . . . 0.0 111.795 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -35.27 75.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 124.617 1.198 . . . . 0.0 111.179 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.5 m -71.55 -41.2 69.39 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 124.042 0.937 . . . . 0.0 111.133 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.02 -43.66 91.61 Favored 'General case' 0 C--N 1.388 2.241 0 O-C-N 124.339 1.025 . . . . 0.0 111.715 173.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -45.26 89.43 Favored 'General case' 0 C--N 1.397 2.642 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 1.3 m -70.11 -35.61 74.25 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 117.824 -1.084 . . . . 0.0 111.489 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.16 -28.68 70.22 Favored 'General case' 0 N--CA 1.509 2.517 0 C-N-CA 124.073 0.949 . . . . 0.0 112.007 175.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.1 t -77.09 -46.66 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.462 0 C-N-CA 125.636 1.575 . . . . 0.0 111.735 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.14 -29.67 66.65 Favored 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 123.698 0.799 . . . . 0.0 111.745 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 12' ' ' THR . . . -66.83 -40.04 87.85 Favored 'General case' 0 N--CA 1.513 2.723 0 C-N-CA 125.902 1.681 . . . . 0.0 110.19 171.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -35.92 74.65 Favored 'General case' 0 C--N 1.378 1.834 0 C-N-CA 125.066 1.347 . . . . 0.0 110.622 177.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -59.83 -43.19 94.71 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 127.194 2.197 . . . . 0.0 112.056 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.19 -14.45 59.06 Favored 'General case' 0 N--CA 1.499 2.014 0 C-N-CA 124.105 0.962 . . . . 0.0 113.232 178.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 mp -97.55 -17.73 19.39 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.532 1.133 . . . . 0.0 109.141 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.88 16.24 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 127.036 2.135 . . . . 0.0 111.069 176.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.78 -77.15 0.28 Allowed Glycine 0 C--N 1.366 2.222 0 CA-C-O 116.687 -2.174 . . . . 0.0 114.163 -172.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.4 -3.04 8.19 Favored 'Trans proline' 1 C--N 1.421 4.392 0 CA-C-N 122.364 3.082 . . . . 0.0 115.776 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.1 mt -88.43 -13.74 39.71 Favored 'General case' 0 CA--C 1.58 2.131 0 C-N-CA 125.169 1.388 . . . . 0.0 111.995 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.448 0 C-N-CA 126.72 2.008 . . . . 0.0 114.58 176.794 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 122.208 1.004 . . . . 0.0 109.8 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -83.42 3.41 32.03 Favored 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 113.522 -1.672 . . . . 0.0 113.907 -177.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -80.03 -22.44 42.39 Favored 'General case' 0 C--N 1.371 1.518 0 C-N-CA 124.559 1.144 . . . . 0.0 111.336 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -93.15 -5.26 50.59 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 123.919 0.888 . . . . 0.0 112.672 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -118.22 152.84 34.92 Favored 'General case' 0 C--N 1.382 1.986 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.91 105.25 9.46 Favored 'General case' 0 C--N 1.384 2.092 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 0.4 OUTLIER -178.77 172.68 1.33 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 113.144 -1.843 . . . . 0.0 110.222 -177.556 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -86.91 -41.08 14.25 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 176.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.3 78.87 0.12 Allowed Glycine 0 N--CA 1.509 3.516 0 N-CA-C 119.428 2.531 . . . . 0.0 119.428 169.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.85 19.69 2.32 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 69.8 ttt180 -152.6 146.66 25.37 Favored 'General case' 0 C--N 1.389 2.313 0 C-N-CA 126.237 1.815 . . . . 0.0 110.422 -175.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.08 -25.58 64.5 Favored 'General case' 0 N--CA 1.524 3.272 0 C-N-CA 124.032 0.933 . . . . 0.0 110.665 172.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.41 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -60.09 -39.42 95.75 Favored Glycine 0 N--CA 1.5 2.936 0 C-N-CA 125.022 1.296 . . . . 0.0 116.24 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.479 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 3.0 m-20 -75.45 -24.94 57.06 Favored 'General case' 0 N--CA 1.513 2.685 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -83.95 -30.61 26.12 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.407 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.87 -37.99 64.57 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 125.194 1.398 . . . . 0.0 111.675 177.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -33.7 74.12 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 125.491 1.517 . . . . 0.0 111.62 177.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -74.32 -31.7 62.56 Favored 'General case' 0 C--N 1.377 1.761 0 C-N-CA 123.692 0.797 . . . . 0.0 110.991 176.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.72 -40.54 72.75 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 113.754 -1.566 . . . . 0.0 111.967 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -68.61 -36.36 78.57 Favored 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 124.526 1.13 . . . . 0.0 111.16 175.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -72.0 -24.64 61.6 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 126.87 2.068 . . . . 0.0 112.289 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.8 m -76.34 -32.61 58.76 Favored 'General case' 0 C--N 1.387 2.22 0 C-N-CA 124.449 1.1 . . . . 0.0 109.889 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.5 -37.31 68.43 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 123.658 0.783 . . . . 0.0 112.459 177.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.9 p -69.97 -44.82 68.69 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -75.42 -30.02 59.91 Favored 'General case' 0 N--CA 1.517 2.91 0 CA-C-N 121.101 1.773 . . . . 0.0 113.441 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -70.28 -31.49 68.87 Favored 'General case' 0 C--N 1.393 2.483 0 C-N-CA 123.531 0.733 . . . . 0.0 111.713 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.51 -31.7 71.14 Favored 'General case' 0 C--N 1.388 2.261 0 C-N-CA 125.944 1.698 . . . . 0.0 111.188 175.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.62 -39.93 92.03 Favored 'General case' 0 C--N 1.387 2.228 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.608 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.5 -28.72 69.39 Favored 'General case' 0 C--N 1.396 2.616 0 C-N-CA 124.923 1.289 . . . . 0.0 112.91 174.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.34 -40.01 87.44 Favored 'Isoleucine or valine' 0 C--N 1.382 2.011 0 C-N-CA 125.4 1.48 . . . . 0.0 108.893 175.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -67.03 -16.43 64.35 Favored 'General case' 0 N--CA 1.506 2.33 0 C-N-CA 125.982 1.713 . . . . 0.0 112.326 174.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -79.65 -38.46 33.65 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 172.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.04 34.32 1.68 Allowed Glycine 0 C--N 1.38 3.009 0 N-CA-C 116.564 1.385 . . . . 0.0 116.564 171.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.55 108.8 21.6 Favored 'General case' 0 C--N 1.373 1.628 0 CA-C-O 121.925 0.869 . . . . 0.0 109.41 177.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.47 -22.21 61.1 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 113.563 -1.653 . . . . 0.0 112.435 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.3 m -71.3 -37.09 71.84 Favored 'General case' 0 CA--C 1.571 1.773 0 C-N-CA 125.136 1.374 . . . . 0.0 110.029 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -74.79 -22.7 58.6 Favored 'General case' 0 C--N 1.393 2.463 0 C-N-CA 124.366 1.066 . . . . 0.0 111.99 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.7 t -75.38 -47.73 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 C-N-CA 126.34 1.856 . . . . 0.0 109.561 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.56 -35.99 80.08 Favored 'General case' 0 C--N 1.381 1.976 0 C-N-CA 127.067 2.147 . . . . 0.0 112.372 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -38.95 89.5 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 126.069 1.748 . . . . 0.0 110.27 173.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.0 tt -72.05 -39.25 69.21 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 125.178 1.391 . . . . 0.0 109.281 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.86 94.22 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 124.736 1.214 . . . . 0.0 112.193 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.76 -39.31 76.77 Favored 'General case' 0 N--CA 1.517 2.897 0 C-N-CA 125.956 1.702 . . . . 0.0 111.621 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -72.67 -28.94 63.02 Favored 'General case' 0 CA--C 1.574 1.898 0 C-N-CA 125.066 1.347 . . . . 0.0 110.582 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.59 -46.62 63.09 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 124.057 0.943 . . . . 0.0 111.59 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.12 82.03 Favored 'General case' 0 C--N 1.386 2.18 0 C-N-CA 125.017 1.327 . . . . 0.0 112.996 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.64 85.42 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 125.82 1.648 . . . . 0.0 112.05 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -73.43 -27.55 61.5 Favored 'General case' 0 C--N 1.376 1.728 0 C-N-CA 123.674 0.79 . . . . 0.0 112.633 176.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.523 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 34.6 mt -63.33 -45.81 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.392 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.37 -45.82 78.81 Favored 'General case' 0 N--CA 1.507 2.404 0 C-N-CA 124.803 1.241 . . . . 0.0 112.398 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.52 -42.82 64.37 Favored 'General case' 0 C--N 1.38 1.904 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.664 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 4.4 mm? -85.7 -46.33 10.83 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -175.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 28.0 mt-30 -65.22 -37.71 88.12 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 123.765 0.665 . . . . 0.0 112.75 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -75.67 -42.52 51.0 Favored 'General case' 0 CA--C 1.586 2.336 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 178.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -72.0 -31.94 66.7 Favored 'General case' 0 N--CA 1.514 2.752 0 CA-C-N 119.731 1.151 . . . . 0.0 110.152 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -74.99 -24.93 58.51 Favored 'General case' 0 C--N 1.383 2.03 0 C-N-CA 125.078 1.351 . . . . 0.0 110.799 175.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.5 85.26 Favored 'General case' 0 C--N 1.415 3.426 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 -177.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 p -79.57 -19.94 48.19 Favored 'General case' 0 C--N 1.395 2.558 0 C-N-CA 126.22 1.808 . . . . 0.0 111.687 176.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.21 -35.18 73.73 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.054 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.2 p -77.44 -11.87 59.89 Favored 'General case' 0 C--N 1.404 2.956 0 C-N-CA 124.586 1.154 . . . . 0.0 112.725 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 tt . . . . . 0 N--CA 1.495 1.781 0 C-N-CA 127.166 2.186 . . . . 0.0 110.083 177.291 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 N--CA 1.495 1.802 0 N-CA-C 110.565 -0.161 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.83 -28.77 64.86 Favored 'General case' 0 N--CA 1.516 2.872 0 C-N-CA 125.26 1.424 . . . . 0.0 113.378 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -67.48 -35.12 78.54 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 125.129 1.372 . . . . 0.0 110.853 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -65.91 -35.69 81.31 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 125.57 1.548 . . . . 0.0 111.382 174.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -72.02 -49.54 36.03 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 123.639 0.776 . . . . 0.0 110.921 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.02 -60.9 2.52 Favored 'General case' 0 CA--C 1.589 2.479 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.86 -42.69 60.43 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 -177.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 41.6 mt-10 -71.04 -37.16 72.56 Favored 'General case' 0 N--CA 1.51 2.56 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -67.55 -39.52 84.96 Favored 'General case' 0 C--N 1.386 2.193 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 178.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -70.02 -39.5 75.77 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.5 -42.44 71.32 Favored 'General case' 0 N--CA 1.518 2.944 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -70.05 -36.95 75.38 Favored 'General case' 0 N--CA 1.503 2.219 0 C-N-CA 124.362 1.065 . . . . 0.0 112.561 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -73.49 -25.9 60.66 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 124.384 1.074 . . . . 0.0 112.537 177.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -48.33 68.26 Favored 'General case' 0 C--N 1.392 2.414 0 C-N-CA 125.165 1.386 . . . . 0.0 113.393 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -72.16 -38.2 69.2 Favored 'General case' 0 N--CA 1.508 2.459 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.92 -33.91 72.51 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 123.794 0.684 . . . . 0.0 110.326 174.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.3 mt -70.81 -34.87 72.18 Favored 'General case' 0 C--N 1.379 1.859 0 C-N-CA 124.684 1.194 . . . . 0.0 112.764 176.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.47 93.84 Favored 'General case' 0 C--N 1.408 3.114 0 C-N-CA 125.682 1.593 . . . . 0.0 111.93 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.0 mtt -63.83 -39.44 94.23 Favored 'General case' 0 C--N 1.389 2.317 0 O-C-N 125.026 1.454 . . . . 0.0 110.353 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 90.5 mttt -68.5 -38.75 81.24 Favored 'General case' 0 C--N 1.39 2.368 0 C-N-CA 124.74 1.216 . . . . 0.0 110.32 176.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -65.4 -36.97 85.56 Favored 'General case' 0 C--N 1.398 2.68 0 C-N-CA 125.206 1.402 . . . . 0.0 114.749 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.44 -39.89 85.44 Favored 'General case' 0 N--CA 1.508 2.433 0 C-N-CA 124.287 1.035 . . . . 0.0 111.114 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -76.24 -23.16 54.52 Favored 'General case' 0 C--N 1.382 1.996 0 C-N-CA 124.466 1.106 . . . . 0.0 112.486 177.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 43.2 mt-10 -69.04 -36.7 78.01 Favored 'General case' 0 N--CA 1.513 2.721 0 C-N-CA 125.269 1.428 . . . . 0.0 111.142 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -67.04 -39.36 86.94 Favored 'General case' 0 C--N 1.386 2.188 0 C-N-CA 124.831 1.253 . . . . 0.0 110.625 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.8 -37.76 79.47 Favored 'General case' 0 C--N 1.391 2.387 0 C-N-CA 124.946 1.298 . . . . 0.0 111.951 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -70.64 -33.48 71.04 Favored 'General case' 0 C--N 1.391 2.375 0 C-N-CA 124.911 1.284 . . . . 0.0 112.045 177.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.63 -37.9 87.88 Favored 'General case' 0 CA--C 1.573 1.851 0 C-N-CA 125.011 1.324 . . . . 0.0 113.124 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -90.41 -40.23 12.18 Favored 'General case' 0 C--N 1.385 2.122 0 N-CA-C 116.142 1.905 . . . . 0.0 116.142 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -105.8 -30.09 9.62 Favored 'General case' 0 C--N 1.394 2.505 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -174.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 55.31 26.32 8.48 Favored 'General case' 0 N--CA 1.532 3.67 0 C-N-CA 127.389 2.276 . . . . 0.0 116.494 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.45 137.77 63.67 Favored Pre-proline 0 N--CA 1.502 2.164 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -56.43 -15.19 14.52 Favored 'Trans proline' 1 C--N 1.435 5.121 0 C-N-CA 124.695 3.596 . . . . 0.0 116.784 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -68.68 -38.25 80.2 Favored 'General case' 0 N--CA 1.526 3.355 0 C-N-CA 124.268 1.027 . . . . 0.0 113.164 -178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -77.79 -30.01 51.11 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 126.664 1.985 . . . . 0.0 110.055 -179.649 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.67 -37.68 79.8 Favored 'General case' 0 C--N 1.376 1.747 0 C-N-CA 126.85 2.06 . . . . 0.0 110.198 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.9 -33.85 72.75 Favored 'General case' 0 C--N 1.38 1.893 0 C-N-CA 124.157 0.983 . . . . 0.0 110.71 173.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.14 -42.68 65.71 Favored 'General case' 0 N--CA 1.512 2.636 0 C-N-CA 125.087 1.355 . . . . 0.0 114.391 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 6.5 mt -66.68 -43.43 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.17 0 C-N-CA 125.309 1.444 . . . . 0.0 109.139 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.2 m -62.75 -42.03 99.48 Favored 'General case' 0 CA--C 1.588 2.436 0 C-N-CA 125.916 1.686 . . . . 0.0 111.272 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.58 -39.0 92.32 Favored 'General case' 0 N--CA 1.513 2.703 0 C-N-CA 124.603 1.161 . . . . 0.0 112.173 175.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.52 -26.88 61.07 Favored 'General case' 0 C--N 1.38 1.922 0 C-N-CA 125.127 1.371 . . . . 0.0 112.036 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.76 -36.96 85.99 Favored 'General case' 0 C--N 1.393 2.491 0 C-N-CA 125.796 1.638 . . . . 0.0 111.781 176.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -74.96 -35.53 62.1 Favored 'General case' 0 C--N 1.392 2.424 0 C-N-CA 125.564 1.546 . . . . 0.0 110.044 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -70.48 -33.35 71.13 Favored 'General case' 0 C--N 1.389 2.299 0 C-N-CA 125.441 1.496 . . . . 0.0 112.717 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.66 -37.83 85.61 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 124.873 1.269 . . . . 0.0 109.424 174.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 18.3 p -77.12 -35.57 56.18 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 123.767 0.667 . . . . 0.0 112.362 176.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -69.87 -35.06 74.38 Favored 'General case' 0 N--CA 1.518 2.958 0 C-N-CA 124.084 0.954 . . . . 0.0 113.179 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 82.5 m -69.4 -38.05 77.78 Favored 'General case' 0 C--N 1.386 2.187 0 C-N-CA 123.965 0.906 . . . . 0.0 110.205 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -58.35 -38.34 77.02 Favored 'General case' 0 C--N 1.393 2.483 0 C-N-CA 126.274 1.83 . . . . 0.0 112.303 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.9 m -67.19 -42.95 83.33 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 125.267 1.427 . . . . 0.0 110.799 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.46 -38.78 88.1 Favored 'General case' 0 C--N 1.382 2.01 0 C-N-CA 126.043 1.737 . . . . 0.0 112.576 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 37.8 mt -67.88 -43.12 86.21 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.071 0 C-N-CA 126.074 1.749 . . . . 0.0 110.169 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.15 93.46 Favored 'General case' 0 C--N 1.39 2.36 0 C-N-CA 124.613 1.165 . . . . 0.0 113.857 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.74 -39.36 87.9 Favored 'General case' 0 N--CA 1.512 2.654 0 C-N-CA 125.04 1.336 . . . . 0.0 113.398 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.2 p -71.46 -31.9 67.7 Favored 'General case' 0 N--CA 1.51 2.547 0 C-N-CA 124.385 1.074 . . . . 0.0 112.549 178.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.04 -35.86 77.07 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 125.153 1.381 . . . . 0.0 111.874 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.57 -35.98 81.54 Favored 'General case' 0 N--CA 1.513 2.712 0 C-N-CA 125.389 1.475 . . . . 0.0 112.244 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -66.71 -33.7 76.22 Favored 'General case' 0 N--CA 1.501 2.096 0 C-N-CA 124.912 1.285 . . . . 0.0 111.507 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.8 mt -76.88 -33.03 57.85 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 125.263 1.425 . . . . 0.0 112.358 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -69.38 -44.56 71.24 Favored 'General case' 0 N--CA 1.511 2.62 0 C-N-CA 126.305 1.842 . . . . 0.0 114.742 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 . . . . . 0 C--N 1.374 1.669 0 C-N-CA 125.367 1.467 . . . . 0.0 113.949 -177.259 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo . . . . . 0 N--CA 1.524 3.278 0 N-CA-C 115.622 1.355 . . . . 0.0 115.622 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.0 -49.61 4.06 Favored 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 123.963 0.905 . . . . 0.0 111.403 177.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.26 -37.93 51.98 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 125.361 1.464 . . . . 0.0 112.697 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -32.18 70.56 Favored 'General case' 0 C--N 1.381 1.938 0 C-N-CA 124.327 1.051 . . . . 0.0 110.248 178.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -36.35 79.25 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 124.534 1.146 . . . . 0.0 111.26 176.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -72.12 -41.12 67.57 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 123.709 0.804 . . . . 0.0 110.889 177.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.11 -43.56 91.91 Favored 'General case' 0 C--N 1.388 2.282 0 O-C-N 124.506 1.129 . . . . 0.0 112.216 173.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -66.17 -40.15 90.29 Favored 'General case' 0 C--N 1.4 2.804 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 6.3 m -70.11 -36.72 75.06 Favored 'General case' 0 C--N 1.377 1.802 0 CA-C-O 117.246 -1.359 . . . . 0.0 110.172 178.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.29 -28.66 70.17 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 119.173 0.897 . . . . 0.0 111.718 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.6 t -75.57 -46.85 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 C-N-CA 125.225 1.41 . . . . 0.0 110.584 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.57 -28.78 65.16 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 118.972 0.805 . . . . 0.0 111.212 175.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 12' ' ' THR . . . -62.94 -39.44 94.63 Favored 'General case' 0 N--CA 1.507 2.384 0 C-N-CA 125.155 1.382 . . . . 0.0 108.803 171.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.98 -34.73 71.68 Favored 'General case' 0 C--N 1.375 1.693 0 CA-C-O 117.421 -1.276 . . . . 0.0 111.186 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -57.76 -42.79 84.71 Favored 'General case' 0 N--CA 1.531 3.599 0 C-N-CA 125.792 1.637 . . . . 0.0 112.699 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.66 -15.26 46.02 Favored 'General case' 0 CA--C 1.562 1.404 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mp -99.12 -18.61 17.62 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.706 0.803 . . . . 0.0 110.365 -176.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 pp -107.37 -19.13 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 125.255 1.422 . . . . 0.0 112.287 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 25' ' ' ALA . . . -45.47 -69.81 0.73 Allowed Glycine 0 C--N 1.379 2.923 0 CA-C-O 116.894 -2.059 . . . . 0.0 114.016 -178.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.31 -22.79 16.57 Favored 'Trans proline' 0 CA--C 1.597 3.666 0 CA-C-N 121.904 2.852 . . . . 0.0 116.705 174.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.0 0.3 57.47 Favored 'General case' 0 CA--C 1.587 2.381 0 C-N-CA 124.884 1.274 . . . . 0.0 113.462 177.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 22' ' ' GLY . . . . . . . . 0 N--CA 1.51 2.532 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 121.853 0.835 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.01 0.58 47.54 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 113.733 -1.576 . . . . 0.0 113.402 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -77.97 -23.54 48.41 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 124.421 1.088 . . . . 0.0 111.546 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.03 -6.56 47.99 Favored 'General case' 0 C--N 1.39 2.334 0 C-N-CA 123.361 0.664 . . . . 0.0 112.392 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.2 153.17 34.31 Favored 'General case' 0 C--N 1.383 2.022 0 C-N-CA 123.73 0.812 . . . . 0.0 112.764 -178.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.46 104.9 9.0 Favored 'General case' 0 C--N 1.385 2.128 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.478 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 0.5 OUTLIER -174.79 174.37 2.6 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 113.51 -1.677 . . . . 0.0 110.964 -178.223 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -87.99 -40.85 13.55 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 175.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.21 65.71 3.28 Favored Glycine 0 N--CA 1.509 3.512 0 N-CA-C 119.802 2.681 . . . . 0.0 119.802 169.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.89 21.13 4.97 Favored 'General case' 0 C--N 1.371 1.506 0 CA-C-N 119.805 1.803 . . . . 0.0 106.632 176.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -150.23 144.0 25.33 Favored 'General case' 0 C--N 1.385 2.112 0 C-N-CA 126.022 1.729 . . . . 0.0 110.333 -176.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.44 -24.25 62.86 Favored 'General case' 0 N--CA 1.521 3.079 0 C-N-CA 123.991 0.917 . . . . 0.0 110.429 173.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.3 -39.26 97.49 Favored Glycine 0 C--N 1.378 2.914 0 C-N-CA 125.134 1.35 . . . . 0.0 115.918 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.478 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 3.0 m-20 -73.83 -26.75 60.76 Favored 'General case' 0 N--CA 1.517 2.879 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -82.85 -29.79 29.15 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.9 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.61 -37.07 60.07 Favored 'General case' 0 C--N 1.376 1.725 0 C-N-CA 125.195 1.398 . . . . 0.0 112.691 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -30.45 68.31 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 125.247 1.419 . . . . 0.0 111.137 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -77.63 -29.77 51.93 Favored 'General case' 0 C--N 1.375 1.7 0 C-N-CA 123.687 0.795 . . . . 0.0 109.923 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.14 71.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 125.136 1.522 . . . . 0.0 111.905 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -36.7 74.87 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 123.685 0.794 . . . . 0.0 111.797 174.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.27 -25.37 61.58 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 126.386 1.874 . . . . 0.0 112.536 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.4 m -77.45 -32.79 54.69 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 124.176 0.991 . . . . 0.0 109.873 178.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.61 -39.38 70.52 Favored 'General case' 0 CA--C 1.583 2.236 0 C-N-CA 125.51 1.524 . . . . 0.0 111.687 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.5 p -70.68 -44.57 66.74 Favored 'General case' 0 N--CA 1.509 2.514 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -75.04 -27.93 60.22 Favored 'General case' 0 N--CA 1.523 3.179 0 CA-C-N 120.979 1.718 . . . . 0.0 113.824 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.06 -32.13 70.09 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 123.641 0.776 . . . . 0.0 111.492 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -30.75 69.54 Favored 'General case' 0 C--N 1.386 2.179 0 C-N-CA 125.449 1.5 . . . . 0.0 111.27 175.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.64 92.61 Favored 'General case' 0 C--N 1.39 2.334 0 C-N-CA 124.359 1.063 . . . . 0.0 112.024 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.83 -27.54 68.95 Favored 'General case' 0 C--N 1.394 2.52 0 C-N-CA 125.065 1.346 . . . . 0.0 112.841 173.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.85 -38.98 84.12 Favored 'Isoleucine or valine' 0 C--N 1.382 1.985 0 C-N-CA 125.271 1.428 . . . . 0.0 108.374 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -64.53 -24.84 67.74 Favored 'General case' 0 N--CA 1.511 2.617 0 C-N-CA 125.581 1.553 . . . . 0.0 111.746 173.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -70.87 -39.51 72.83 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 118.856 0.753 . . . . 0.0 109.166 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.5 27.95 4.21 Favored Glycine 0 C--N 1.378 2.906 0 N-CA-C 115.854 1.101 . . . . 0.0 115.854 171.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.5 114.95 27.25 Favored 'General case' 0 C--N 1.372 1.581 0 CA-C-O 121.955 0.884 . . . . 0.0 110.02 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.34 -27.34 63.3 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 113.017 -1.901 . . . . 0.0 112.361 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.0 m -71.34 -37.92 71.69 Favored 'General case' 0 CA--C 1.571 1.773 0 C-N-CA 125.273 1.429 . . . . 0.0 110.279 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -74.72 -22.58 58.74 Favored 'General case' 0 C--N 1.388 2.254 0 C-N-CA 124.403 1.081 . . . . 0.0 112.005 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.3 t -76.29 -46.44 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 C-N-CA 125.675 1.59 . . . . 0.0 109.517 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.32 81.59 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 127.159 2.184 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -37.96 86.14 Favored 'General case' 0 N--CA 1.503 2.209 0 C-N-CA 126.711 2.004 . . . . 0.0 110.26 173.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.26 -38.69 68.81 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 125.499 1.52 . . . . 0.0 109.116 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.7 91.52 Favored 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 125.103 1.361 . . . . 0.0 112.245 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.79 -38.74 76.76 Favored 'General case' 0 N--CA 1.519 3.009 0 C-N-CA 126.024 1.729 . . . . 0.0 111.187 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -72.93 -29.26 62.97 Favored 'General case' 0 CA--C 1.574 1.885 0 C-N-CA 125.366 1.466 . . . . 0.0 110.611 174.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.52 -46.76 63.01 Favored 'General case' 0 C--N 1.377 1.762 0 C-N-CA 124.209 1.003 . . . . 0.0 111.9 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.4 -39.74 81.56 Favored 'General case' 0 C--N 1.384 2.105 0 C-N-CA 124.886 1.274 . . . . 0.0 112.914 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.51 -37.28 82.57 Favored 'General case' 0 C--N 1.388 2.281 0 C-N-CA 125.818 1.647 . . . . 0.0 112.399 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -73.55 -27.67 61.46 Favored 'General case' 0 C--N 1.375 1.716 0 C-N-CA 123.755 0.822 . . . . 0.0 112.638 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.495 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 28.6 mt -63.51 -45.64 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.275 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 175.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.0 mt-10 -66.93 -45.97 76.22 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 124.475 1.11 . . . . 0.0 112.505 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.82 -44.88 54.39 Favored 'General case' 0 C--N 1.378 1.806 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.9 mp -85.63 -44.76 12.33 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -174.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 34.9 mt-30 -68.5 -37.75 80.37 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 124.0 0.813 . . . . 0.0 113.016 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 6.5 mtt180 -78.17 -34.03 49.9 Favored 'General case' 0 C--N 1.387 2.206 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 178.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.07 -25.01 51.86 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-N 119.098 0.863 . . . . 0.0 109.634 177.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 86' ' ' LEU . . . -76.52 -30.6 57.22 Favored 'General case' 0 C--N 1.389 2.297 0 C-N-CA 124.402 1.081 . . . . 0.0 109.424 174.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.3 -29.22 63.65 Favored 'General case' 0 C--N 1.403 2.893 0 C-N-CA 125.638 1.575 . . . . 0.0 112.683 178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.05 -22.56 27.15 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.373 1.069 . . . . 0.0 109.821 175.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.59 -27.23 51.25 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 125.37 1.468 . . . . 0.0 112.067 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.3 p -78.63 -11.3 59.96 Favored 'General case' 0 N--CA 1.514 2.744 0 C-N-CA 125.384 1.474 . . . . 0.0 111.471 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.493 1.721 0 C-N-CA 127.342 2.257 . . . . 0.0 109.498 179.18 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 . . . . . 0 N--CA 1.493 1.684 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.18 -43.16 71.35 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 119.488 1.04 . . . . 0.0 112.502 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -72.72 -34.8 67.35 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 125.044 1.337 . . . . 0.0 111.588 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.15 -36.89 84.32 Favored 'General case' 0 C--N 1.383 2.06 0 C-N-CA 125.563 1.545 . . . . 0.0 111.087 173.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.539 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 3.0 mpt_? -75.08 -50.51 16.18 Favored 'General case' 0 C--N 1.371 1.529 0 CA-C-O 118.587 -0.72 . . . . 0.0 111.106 176.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.47 -60.35 3.03 Favored 'General case' 0 CA--C 1.597 2.778 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.96 -42.35 19.54 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 40.0 mt-10 -71.76 -35.52 70.11 Favored 'General case' 0 N--CA 1.512 2.651 0 CA-C-N 119.597 1.089 . . . . 0.0 113.688 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.539 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.3 m-85 -66.76 -41.03 88.41 Favored 'General case' 0 C--N 1.394 2.537 0 CA-C-O 118.606 -0.712 . . . . 0.0 111.673 177.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -66.09 -37.61 86.21 Favored 'General case' 0 C--N 1.394 2.515 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.5 -42.87 82.15 Favored 'General case' 0 N--CA 1.519 2.992 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -70.73 -34.64 72.11 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 124.244 1.018 . . . . 0.0 112.29 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.58 -26.88 61.87 Favored 'General case' 0 C--N 1.379 1.89 0 C-N-CA 124.977 1.311 . . . . 0.0 112.404 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -47.31 69.08 Favored 'General case' 0 C--N 1.39 2.336 0 C-N-CA 125.147 1.379 . . . . 0.0 113.16 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -72.13 -38.78 69.17 Favored 'General case' 0 N--CA 1.509 2.523 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.9 -33.26 72.85 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 123.686 0.616 . . . . 0.0 110.464 174.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -34.65 72.2 Favored 'General case' 0 C--N 1.38 1.933 0 C-N-CA 124.951 1.301 . . . . 0.0 111.794 176.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.51 91.41 Favored 'General case' 0 C--N 1.41 3.205 0 C-N-CA 125.579 1.552 . . . . 0.0 112.408 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.8 mtt -64.53 -39.52 93.92 Favored 'General case' 0 C--N 1.388 2.259 0 O-C-N 124.826 1.329 . . . . 0.0 110.52 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -70.08 -38.62 75.75 Favored 'General case' 0 C--N 1.383 2.024 0 C-N-CA 124.412 1.085 . . . . 0.0 110.635 176.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.48 -38.72 92.21 Favored 'General case' 0 C--N 1.397 2.647 0 C-N-CA 125.062 1.345 . . . . 0.0 114.57 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.33 -40.01 77.84 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 124.09 0.956 . . . . 0.0 111.234 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -74.11 -28.47 61.37 Favored 'General case' 0 N--CA 1.503 2.221 0 C-N-CA 124.322 1.049 . . . . 0.0 112.854 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -69.01 -36.09 77.41 Favored 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 125.376 1.471 . . . . 0.0 111.62 176.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -66.27 -38.73 88.52 Favored 'General case' 0 C--N 1.388 2.259 0 C-N-CA 125.066 1.347 . . . . 0.0 110.377 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -68.63 -36.81 79.12 Favored 'General case' 0 C--N 1.388 2.263 0 C-N-CA 125.0 1.32 . . . . 0.0 111.736 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -70.13 -33.14 71.45 Favored 'General case' 0 C--N 1.392 2.445 0 C-N-CA 125.006 1.322 . . . . 0.0 111.97 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.4 -38.54 90.26 Favored 'General case' 0 CA--C 1.573 1.846 0 C-N-CA 125.001 1.32 . . . . 0.0 113.169 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -91.36 -38.72 12.44 Favored 'General case' 0 C--N 1.385 2.151 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -105.69 -29.85 9.83 Favored 'General case' 0 C--N 1.394 2.506 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -175.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 56.38 27.49 12.09 Favored 'General case' 0 N--CA 1.53 3.532 0 C-N-CA 127.386 2.274 . . . . 0.0 116.554 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.57 136.97 59.19 Favored Pre-proline 0 N--CA 1.502 2.166 0 N-CA-C 113.296 0.851 . . . . 0.0 113.296 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -57.29 -15.01 17.26 Favored 'Trans proline' 1 C--N 1.436 5.135 0 C-N-CA 124.775 3.65 . . . . 0.0 116.678 177.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 52.1 mt-30 -68.73 -37.63 79.6 Favored 'General case' 0 N--CA 1.528 3.436 0 C-N-CA 124.517 1.127 . . . . 0.0 113.187 -177.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -29.28 51.15 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 126.381 1.872 . . . . 0.0 110.359 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.09 -37.81 75.52 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 127.026 2.13 . . . . 0.0 111.267 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.28 -34.6 72.97 Favored 'General case' 0 C--N 1.379 1.882 0 O-C-N 124.158 0.911 . . . . 0.0 110.35 173.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 36.9 mt-10 -72.74 -41.94 64.61 Favored 'General case' 0 C--N 1.393 2.492 0 C-N-CA 125.145 1.378 . . . . 0.0 113.703 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.15 -38.81 78.56 Favored 'Isoleucine or valine' 0 C--N 1.401 2.82 0 C-N-CA 124.799 1.24 . . . . 0.0 112.277 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.0 m -66.93 -38.82 86.9 Favored 'General case' 0 CA--C 1.582 2.191 0 C-N-CA 125.783 1.633 . . . . 0.0 110.151 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.95 95.16 Favored 'General case' 0 N--CA 1.514 2.761 0 C-N-CA 124.737 1.215 . . . . 0.0 112.444 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.2 mt -73.65 -27.41 61.24 Favored 'General case' 0 C--N 1.378 1.833 0 C-N-CA 125.14 1.376 . . . . 0.0 111.736 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -36.62 83.33 Favored 'General case' 0 C--N 1.392 2.414 0 C-N-CA 125.82 1.648 . . . . 0.0 112.255 176.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -74.83 -36.16 62.41 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 125.383 1.473 . . . . 0.0 109.941 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -71.43 -33.96 69.88 Favored 'General case' 0 C--N 1.386 2.192 0 C-N-CA 125.322 1.449 . . . . 0.0 112.566 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -38.18 89.46 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 124.38 1.072 . . . . 0.0 110.064 174.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.2 p -77.14 -39.1 50.44 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.822 0.701 . . . . 0.0 112.569 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -71.49 -32.91 68.78 Favored 'General case' 0 N--CA 1.516 2.826 0 C-N-CA 124.117 0.967 . . . . 0.0 113.566 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 3.9 t -73.59 -37.86 65.31 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 123.744 0.817 . . . . 0.0 109.7 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -58.31 -38.21 76.62 Favored 'General case' 0 C--N 1.396 2.594 0 C-N-CA 125.902 1.681 . . . . 0.0 112.71 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 6.4 m -71.5 -40.83 69.93 Favored 'General case' 0 CA--C 1.581 2.153 0 C-N-CA 124.899 1.28 . . . . 0.0 111.092 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.63 -37.99 80.17 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 126.019 1.728 . . . . 0.0 113.07 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 30.7 mt -65.68 -42.7 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 126.387 1.875 . . . . 0.0 110.902 176.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.69 97.46 Favored 'General case' 0 C--N 1.39 2.329 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.55 -41.36 72.56 Favored 'General case' 0 N--CA 1.515 2.777 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.4 p -71.2 -37.13 72.11 Favored 'General case' 0 N--CA 1.51 2.529 0 C-N-CA 124.13 0.972 . . . . 0.0 113.362 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -73.48 -30.98 63.49 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 124.286 1.034 . . . . 0.0 112.891 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -69.07 -37.01 78.25 Favored 'General case' 0 N--CA 1.509 2.511 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.77 74.0 Favored 'General case' 0 C--N 1.377 1.762 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.829 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.1 mt -73.31 -32.35 64.54 Favored 'General case' 0 C--N 1.388 2.27 0 C-N-CA 126.017 1.727 . . . . 0.0 112.576 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -72.93 -27.64 61.97 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 125.168 1.387 . . . . 0.0 113.616 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.382 2.014 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -177.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo . . . . . 0 N--CA 1.521 3.138 0 N-CA-C 115.041 1.131 . . . . 0.0 115.041 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.74 -50.9 3.72 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.479 0.712 . . . . 0.0 111.73 178.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.11 -38.15 52.77 Favored 'General case' 0 C--N 1.377 1.79 0 C-N-CA 124.595 1.158 . . . . 0.0 112.231 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -31.97 73.02 Favored 'General case' 0 C--N 1.381 1.957 0 O-C-N 124.491 1.12 . . . . 0.0 109.782 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -39.13 88.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 124.897 1.373 . . . . 0.0 111.78 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.8 m -79.19 -20.78 47.52 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 123.65 0.78 . . . . 0.0 112.749 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.65 -47.75 25.06 Favored 'General case' 0 CA--C 1.566 1.596 0 CA-C-N 114.293 -1.322 . . . . 0.0 110.191 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -36.31 74.95 Favored 'General case' 0 C--N 1.393 2.486 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.45 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.0 m -71.0 -36.32 72.42 Favored 'General case' 0 C--N 1.385 2.111 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.789 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -63.46 -29.54 70.81 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 123.735 0.647 . . . . 0.0 111.017 174.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.2 t -74.61 -45.66 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.384 0 C-N-CA 125.172 1.389 . . . . 0.0 110.935 177.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.67 -28.45 65.88 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 119.194 0.907 . . . . 0.0 111.618 175.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 12' ' ' THR . . . -67.01 -38.85 86.7 Favored 'General case' 0 N--CA 1.513 2.714 0 C-N-CA 126.26 1.824 . . . . 0.0 111.364 171.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -36.82 61.7 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 124.911 1.285 . . . . 0.0 110.739 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -63.21 -38.48 91.35 Favored 'General case' 0 N--CA 1.5 2.063 0 C-N-CA 127.078 2.151 . . . . 0.0 111.917 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -69.94 -29.7 66.91 Favored 'General case' 0 N--CA 1.511 2.589 0 C-N-CA 124.411 1.084 . . . . 0.0 111.804 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.77 -18.36 44.4 Favored 'General case' 0 CA--C 1.587 2.369 0 C-N-CA 124.952 1.301 . . . . 0.0 111.815 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 21' ' ' ILE . 62.6 mt -111.54 17.33 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.638 0 C-N-CA 128.209 2.604 . . . . 0.0 108.232 177.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.26 -87.5 0.07 OUTLIER Glycine 0 C--N 1.377 2.807 0 CA-C-O 116.339 -2.367 . . . . 0.0 112.914 -175.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.84 -2.15 3.32 Favored 'Trans proline' 1 C--N 1.423 4.463 0 CA-C-N 122.563 3.181 . . . . 0.0 114.744 174.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.4 -10.44 52.03 Favored 'General case' 0 CA--C 1.578 2.039 0 C-N-CA 127.348 2.259 . . . . 0.0 112.953 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.411 ' HB1' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.498 1.974 0 C-N-CA 126.913 2.085 . . . . 0.0 116.195 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 121.877 0.846 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -85.8 -0.24 54.75 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 113.717 -1.583 . . . . 0.0 114.178 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -80.37 -21.74 42.08 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 123.59 0.756 . . . . 0.0 111.716 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mt -88.1 -3.42 58.89 Favored 'General case' 0 C--N 1.389 2.325 0 C-N-CA 124.331 1.052 . . . . 0.0 112.175 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -122.76 157.42 32.4 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 125.124 1.37 . . . . 0.0 112.376 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.06 112.68 18.06 Favored 'General case' 0 C--N 1.375 1.717 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -136.02 159.79 40.62 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.692 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -106.8 48.25 0.85 Allowed 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.31 -69.23 0.48 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 118.029 1.972 . . . . 0.0 118.029 170.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -175.35 65.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 118.72 1.26 . . . . 0.0 109.473 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -140.5 136.95 33.45 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.411 ' HG ' ' HB1' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -70.16 -25.91 63.67 Favored 'General case' 0 N--CA 1.526 3.365 0 O-C-N 124.017 0.823 . . . . 0.0 108.981 170.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.73 -36.74 93.73 Favored Glycine 0 C--N 1.379 2.969 0 C-N-CA 125.264 1.412 . . . . 0.0 114.719 176.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.52 -24.37 42.27 Favored 'General case' 0 C--N 1.392 2.437 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -177.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -81.25 -30.65 34.05 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.4 -38.4 55.71 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 125.404 1.482 . . . . 0.0 113.17 178.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -30.52 67.41 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 125.51 1.524 . . . . 0.0 111.527 177.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -81.18 -29.46 34.61 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 123.377 0.671 . . . . 0.0 109.75 178.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.24 -38.17 66.1 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.646 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -68.72 -37.39 79.43 Favored 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 124.497 1.119 . . . . 0.0 110.139 175.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -72.19 -24.38 61.41 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 126.496 1.919 . . . . 0.0 112.17 177.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.37 -30.6 42.63 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 124.034 0.934 . . . . 0.0 109.443 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.89 -40.92 65.19 Favored 'General case' 0 C--N 1.384 2.099 0 C-N-CA 124.628 1.171 . . . . 0.0 111.031 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.0 p -70.99 -30.33 66.55 Favored 'General case' 0 N--CA 1.505 2.295 0 C-N-CA 125.615 1.566 . . . . 0.0 113.215 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -77.75 -36.77 50.33 Favored 'General case' 0 N--CA 1.505 2.307 0 C-N-CA 123.462 0.705 . . . . 0.0 112.303 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -71.13 -30.83 66.98 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 124.825 1.25 . . . . 0.0 111.713 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.561 ' O ' HG22 ' A' ' 64' ' ' VAL . 1.9 mt-10 -67.78 -33.97 75.88 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 126.206 1.802 . . . . 0.0 111.824 176.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.67 93.76 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 123.53 0.732 . . . . 0.0 109.704 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.28 72.43 Favored 'General case' 0 C--N 1.394 2.523 0 N-CA-C 115.948 1.833 . . . . 0.0 115.948 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 61' ' ' GLU . 15.8 m -68.89 -31.18 49.56 Favored 'Isoleucine or valine' 0 C--N 1.391 2.402 0 CA-C-O 121.752 0.787 . . . . 0.0 111.534 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -74.54 -10.43 59.54 Favored 'General case' 0 CA--C 1.577 1.997 0 C-N-CA 126.826 2.05 . . . . 0.0 111.618 172.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -96.54 -11.12 25.88 Favored 'General case' 0 CA--C 1.575 1.913 0 C-N-CA 125.199 1.4 . . . . 0.0 111.609 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.82 52.48 3.12 Favored Glycine 0 C--N 1.381 3.051 0 N-CA-C 116.497 1.359 . . . . 0.0 116.497 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.14 91.76 3.63 Favored 'General case' 0 C--N 1.372 1.58 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 177.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.61 -20.67 61.24 Favored 'General case' 0 N--CA 1.506 2.354 0 CA-C-N 113.875 -1.511 . . . . 0.0 112.414 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.7 m -70.82 -35.64 72.58 Favored 'General case' 0 CA--C 1.571 1.766 0 C-N-CA 125.437 1.495 . . . . 0.0 109.899 175.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -76.48 -20.45 56.96 Favored 'General case' 0 C--N 1.393 2.499 0 C-N-CA 123.646 0.778 . . . . 0.0 111.774 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.2 t -74.69 -50.98 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 C-N-CA 126.662 1.985 . . . . 0.0 109.266 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.85 -36.06 77.68 Favored 'General case' 0 C--N 1.376 1.76 0 C-N-CA 126.677 1.991 . . . . 0.0 112.797 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -41.58 92.01 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.427 1.491 . . . . 0.0 110.419 173.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -73.99 -33.87 63.99 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 123.812 0.845 . . . . 0.0 110.991 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.99 90.28 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 124.282 1.033 . . . . 0.0 111.994 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.43 -37.81 74.46 Favored 'General case' 0 N--CA 1.516 2.859 0 C-N-CA 125.707 1.603 . . . . 0.0 111.169 176.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -70.86 -32.72 69.81 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 125.785 1.634 . . . . 0.0 111.059 174.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.7 -45.76 77.77 Favored 'General case' 0 CA--C 1.569 1.704 0 C-N-CA 123.98 0.912 . . . . 0.0 111.495 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.23 -40.17 78.08 Favored 'General case' 0 C--N 1.386 2.17 0 C-N-CA 125.091 1.357 . . . . 0.0 113.153 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.55 81.32 Favored 'General case' 0 C--N 1.388 2.274 0 C-N-CA 125.876 1.67 . . . . 0.0 112.153 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -73.34 -27.17 61.36 Favored 'General case' 0 C--N 1.375 1.708 0 CA-C-O 118.306 -0.854 . . . . 0.0 112.284 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 21.7 mt -62.76 -45.39 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 CA-C-N 118.658 0.663 . . . . 0.0 109.866 176.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.15 -45.1 82.2 Favored 'General case' 0 N--CA 1.505 2.323 0 C-N-CA 124.668 1.187 . . . . 0.0 112.353 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.02 -43.9 56.37 Favored 'General case' 0 C--N 1.38 1.928 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.712 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.7 OUTLIER -84.5 -44.78 13.29 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.021 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 16.9 mt-30 -68.36 -36.48 79.26 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-N 119.339 0.972 . . . . 0.0 112.715 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -78.64 -40.72 33.45 Favored 'General case' 0 CA--C 1.592 2.589 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -75.78 -30.79 59.23 Favored 'General case' 0 C--N 1.399 2.747 0 CA-C-O 121.19 0.519 . . . . 0.0 109.762 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' A' ' 86' ' ' LEU . . . -77.74 -22.95 49.52 Favored 'General case' 0 C--N 1.383 2.048 0 C-N-CA 125.287 1.435 . . . . 0.0 110.806 174.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.11 85.13 Favored 'General case' 0 C--N 1.417 3.506 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -79.96 -27.43 39.75 Favored 'General case' 0 C--N 1.391 2.388 0 C-N-CA 124.347 1.059 . . . . 0.0 111.561 174.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.14 62.48 Favored 'General case' 0 C--N 1.377 1.792 0 C-N-CA 124.295 1.038 . . . . 0.0 112.696 173.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 76.0 p -60.04 -8.43 2.35 Favored 'General case' 1 N--CA 1.54 4.073 0 C-N-CA 125.824 1.65 . . . . 0.0 113.674 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.925 0 C-N-CA 126.487 1.915 . . . . 0.0 115.551 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 . . . . . 0 CA--C 1.557 1.218 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.23 -41.67 99.14 Favored 'General case' 0 N--CA 1.515 2.823 0 C-N-CA 123.735 0.814 . . . . 0.0 112.939 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -36.88 79.38 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.383 1.873 . . . . 0.0 112.116 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -70.24 -29.16 65.9 Favored 'General case' 0 C--N 1.379 1.877 0 O-C-N 124.356 1.035 . . . . 0.0 111.023 173.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 3.4 mpt_? -76.17 -45.26 34.24 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 123.648 0.779 . . . . 0.0 110.357 174.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -61.75 2.03 Favored 'General case' 0 CA--C 1.591 2.554 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.0 -45.8 32.74 Favored 'General case' 0 C--N 1.386 2.194 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 39.5 mt-10 -72.53 -33.89 67.19 Favored 'General case' 0 N--CA 1.509 2.488 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -178.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.57 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 5.3 m-85 -67.54 -38.45 84.21 Favored 'General case' 0 C--N 1.39 2.358 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.708 177.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -66.94 -39.47 87.33 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 177.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.58 -42.19 71.36 Favored 'General case' 0 N--CA 1.519 2.988 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -70.45 -36.71 74.1 Favored 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 124.33 1.052 . . . . 0.0 112.536 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 42.2 mt-10 -74.8 -23.32 58.48 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 124.247 1.019 . . . . 0.0 112.101 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -65.44 -49.97 67.13 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 125.513 1.525 . . . . 0.0 113.284 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -72.65 -39.0 67.52 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.01 -33.51 73.37 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 123.544 0.527 . . . . 0.0 110.437 174.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -70.3 -34.8 73.17 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 125.039 1.336 . . . . 0.0 112.117 175.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.26 88.6 Favored 'General case' 0 C--N 1.408 3.134 0 C-N-CA 125.627 1.571 . . . . 0.0 112.52 -178.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.4 mtt -64.18 -39.43 93.98 Favored 'General case' 0 C--N 1.388 2.262 0 O-C-N 124.787 1.304 . . . . 0.0 110.523 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -69.41 -38.15 77.79 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 125.165 1.386 . . . . 0.0 110.668 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -65.7 -37.42 86.41 Favored 'General case' 0 C--N 1.399 2.753 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.98 -39.58 83.27 Favored 'General case' 0 N--CA 1.509 2.494 0 C-N-CA 124.434 1.094 . . . . 0.0 111.169 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -74.46 -25.8 59.64 Favored 'General case' 0 C--N 1.385 2.114 0 C-N-CA 124.597 1.159 . . . . 0.0 112.404 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -68.55 -36.12 78.36 Favored 'General case' 0 N--CA 1.514 2.733 0 C-N-CA 125.488 1.515 . . . . 0.0 111.252 175.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -66.81 -38.35 86.32 Favored 'General case' 0 C--N 1.389 2.307 0 C-N-CA 125.131 1.372 . . . . 0.0 110.399 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.93 -34.95 74.14 Favored 'General case' 0 C--N 1.389 2.295 0 C-N-CA 124.973 1.309 . . . . 0.0 111.524 176.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -68.32 -36.93 80.04 Favored 'General case' 0 C--N 1.393 2.461 0 C-N-CA 124.993 1.317 . . . . 0.0 111.457 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.67 -37.96 89.37 Favored 'General case' 0 CA--C 1.571 1.757 0 C-N-CA 125.331 1.452 . . . . 0.0 113.469 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -90.74 -38.84 12.77 Favored 'General case' 0 C--N 1.387 2.2 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -108.47 -30.22 8.39 Favored 'General case' 0 C--N 1.396 2.603 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -174.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 56.11 26.03 9.69 Favored 'General case' 0 N--CA 1.532 3.653 0 C-N-CA 127.452 2.301 . . . . 0.0 116.686 -178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.44 138.93 59.21 Favored Pre-proline 0 N--CA 1.503 2.175 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -56.97 -14.89 15.45 Favored 'Trans proline' 1 C--N 1.437 5.198 0 C-N-CA 124.753 3.635 . . . . 0.0 116.62 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -69.13 -37.75 78.46 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 124.547 1.139 . . . . 0.0 113.265 -177.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.458 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -78.23 -29.2 48.12 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 126.526 1.931 . . . . 0.0 110.01 -179.56 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.73 -36.91 76.26 Favored 'General case' 0 C--N 1.378 1.813 0 C-N-CA 126.683 1.993 . . . . 0.0 110.135 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.73 -33.69 71.1 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 124.253 1.021 . . . . 0.0 110.73 173.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -71.69 -42.51 67.34 Favored 'General case' 0 N--CA 1.511 2.602 0 C-N-CA 125.185 1.394 . . . . 0.0 114.181 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.3 mt -67.22 -42.99 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.193 0 C-N-CA 125.322 1.449 . . . . 0.0 109.136 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.7 m -62.87 -41.87 99.54 Favored 'General case' 0 CA--C 1.588 2.442 0 C-N-CA 126.025 1.73 . . . . 0.0 111.586 177.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.15 96.51 Favored 'General case' 0 N--CA 1.514 2.747 0 C-N-CA 124.526 1.13 . . . . 0.0 112.496 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.09 -28.26 62.19 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 125.062 1.345 . . . . 0.0 111.834 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -36.56 84.42 Favored 'General case' 0 C--N 1.392 2.442 0 C-N-CA 126.346 1.858 . . . . 0.0 112.238 177.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -75.14 -35.19 61.68 Favored 'General case' 0 C--N 1.388 2.262 0 C-N-CA 125.321 1.448 . . . . 0.0 110.104 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -70.2 -35.76 74.15 Favored 'General case' 0 C--N 1.387 2.215 0 C-N-CA 125.12 1.368 . . . . 0.0 112.834 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -37.9 89.18 Favored 'General case' 0 C--N 1.379 1.885 0 C-N-CA 124.626 1.17 . . . . 0.0 110.271 174.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.1 p -77.11 -37.92 53.23 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 123.818 0.699 . . . . 0.0 112.416 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -69.95 -36.2 75.09 Favored 'General case' 0 N--CA 1.514 2.737 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 178.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 83.0 m -71.09 -39.42 72.14 Favored 'General case' 0 C--N 1.382 1.998 0 C-N-CA 123.756 0.822 . . . . 0.0 111.037 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -59.71 -38.83 82.72 Favored 'General case' 0 C--N 1.392 2.438 0 C-N-CA 125.624 1.57 . . . . 0.0 112.938 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.2 m -69.32 -42.72 75.01 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 125.264 1.426 . . . . 0.0 111.192 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.16 -38.75 86.0 Favored 'General case' 0 C--N 1.381 1.947 0 C-N-CA 126.179 1.792 . . . . 0.0 113.016 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 29.7 mt -69.52 -40.93 80.27 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.065 0 C-N-CA 126.16 1.784 . . . . 0.0 110.601 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.22 95.97 Favored 'General case' 0 C--N 1.39 2.357 0 C-N-CA 124.559 1.144 . . . . 0.0 113.671 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.56 -39.58 80.98 Favored 'General case' 0 N--CA 1.512 2.665 0 C-N-CA 124.954 1.302 . . . . 0.0 112.944 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.8 p -71.45 -32.39 68.26 Favored 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 124.526 1.13 . . . . 0.0 112.696 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -71.57 -35.08 70.46 Favored 'General case' 0 C--N 1.381 1.936 0 C-N-CA 124.838 1.255 . . . . 0.0 112.425 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.13 -37.86 81.55 Favored 'General case' 0 N--CA 1.51 2.55 0 C-N-CA 124.932 1.293 . . . . 0.0 113.257 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.61 -36.06 75.85 Favored 'General case' 0 C--N 1.375 1.677 0 C-N-CA 124.198 0.999 . . . . 0.0 110.279 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.6 mt -71.53 -28.74 64.09 Favored 'General case' 0 C--N 1.394 2.506 0 C-N-CA 125.512 1.525 . . . . 0.0 112.197 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -70.43 -30.46 67.32 Favored 'General case' 0 C--N 1.38 1.909 0 C-N-CA 125.547 1.539 . . . . 0.0 112.519 176.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.385 2.112 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo . . . . . 0 N--CA 1.523 3.227 0 N-CA-C 114.932 1.089 . . . . 0.0 114.932 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mt -99.66 -47.51 5.06 Favored 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 123.5 0.72 . . . . 0.0 111.873 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.25 -36.45 54.49 Favored 'General case' 0 C--N 1.376 1.745 0 C-N-CA 125.083 1.353 . . . . 0.0 112.687 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -33.29 72.17 Favored 'General case' 0 C--N 1.38 1.913 0 O-C-N 124.317 1.01 . . . . 0.0 110.467 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -68.01 -36.21 79.59 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 124.638 1.211 . . . . 0.0 111.387 177.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.3 m -71.59 -40.99 69.52 Favored 'General case' 0 C--N 1.381 1.94 0 C-N-CA 123.97 0.908 . . . . 0.0 110.871 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.58 -44.29 89.75 Favored 'General case' 0 C--N 1.389 2.311 0 O-C-N 124.311 1.007 . . . . 0.0 112.395 173.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -65.38 -39.92 92.87 Favored 'General case' 0 C--N 1.399 2.744 0 C-N-CA 125.223 1.409 . . . . 0.0 114.67 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -69.68 -36.22 75.8 Favored 'General case' 0 C--N 1.379 1.863 0 CA-C-O 117.861 -1.066 . . . . 0.0 109.989 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -62.6 -29.97 71.0 Favored 'General case' 0 N--CA 1.506 2.363 0 C-N-CA 124.121 0.968 . . . . 0.0 111.857 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -74.77 -45.79 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.558 0 C-N-CA 125.165 1.386 . . . . 0.0 110.379 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.29 -27.0 64.06 Favored 'General case' 0 N--CA 1.503 2.208 0 C-N-CA 123.711 0.804 . . . . 0.0 111.249 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.04 88.92 Favored 'General case' 0 N--CA 1.507 2.389 0 C-N-CA 125.378 1.471 . . . . 0.0 109.52 171.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.3 mt -73.87 -30.02 62.42 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 125.052 1.341 . . . . 0.0 110.974 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -60.47 -39.52 87.88 Favored 'General case' 0 N--CA 1.536 3.831 0 C-N-CA 126.339 1.856 . . . . 0.0 113.414 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.6 p -78.78 -31.77 46.22 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 124.847 1.342 . . . . 0.0 113.112 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -83.2 -24.06 32.58 Favored 'General case' 0 CA--C 1.581 2.159 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' ' 21' ' ' ILE . 70.2 mt -110.77 19.27 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 C-N-CA 128.388 2.675 . . . . 0.0 109.161 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.01 -81.14 0.29 Allowed Glycine 0 N--CA 1.491 2.318 0 CA-C-O 116.558 -2.246 . . . . 0.0 112.53 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -65.66 -2.0 5.72 Favored 'Trans proline' 1 C--N 1.426 4.633 0 CA-C-N 122.586 3.193 . . . . 0.0 116.131 177.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mp -90.68 -6.28 54.7 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 126.002 1.721 . . . . 0.0 112.988 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.103 0 C-N-CA 126.373 1.869 . . . . 0.0 115.742 177.56 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 121.811 0.815 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -83.28 -2.77 56.45 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 113.922 -1.49 . . . . 0.0 114.373 -178.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -79.89 -18.23 51.18 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 123.731 0.812 . . . . 0.0 112.356 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -84.78 -3.92 58.83 Favored 'General case' 0 C--N 1.388 2.248 0 C-N-CA 123.998 0.919 . . . . 0.0 112.992 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.16 158.7 27.41 Favored 'General case' 0 C--N 1.377 1.782 0 C-N-CA 124.455 1.102 . . . . 0.0 111.521 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.87 108.94 14.53 Favored 'General case' 0 C--N 1.383 2.031 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.6 t -155.91 165.03 37.71 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.051 -1.886 . . . . 0.0 108.795 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -109.64 -27.9 9.13 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.738 0.815 . . . . 0.0 112.071 -178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.74 75.98 0.58 Allowed Glycine 0 C--N 1.377 2.815 0 N-CA-C 106.865 -2.494 . . . . 0.0 106.865 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.83 -62.64 1.17 Allowed 'General case' 0 C--N 1.379 1.876 0 O-C-N 124.502 0.766 . . . . 0.0 111.506 -171.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 176.94 178.68 0.24 Allowed 'General case' 0 C--N 1.41 3.219 0 O-C-N 126.002 2.064 . . . . 0.0 112.954 -173.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.98 -23.48 65.03 Favored 'General case' 0 N--CA 1.529 3.508 0 C-N-CA 125.5 1.52 . . . . 0.0 108.265 169.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.35 -36.25 88.27 Favored Glycine 0 C--N 1.381 3.031 0 C-N-CA 125.427 1.489 . . . . 0.0 113.887 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.99 -21.38 43.7 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 117.107 0.454 . . . . 0.0 111.574 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -81.14 -32.86 33.53 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.3 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -77.52 -36.37 52.52 Favored 'General case' 0 C--N 1.372 1.566 0 C-N-CA 124.938 1.295 . . . . 0.0 112.469 176.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.99 -37.63 75.79 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.956 1.302 . . . . 0.0 112.003 178.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.61 -29.97 56.74 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 123.692 0.797 . . . . 0.0 111.039 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.57 -39.59 67.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 124.893 1.371 . . . . 0.0 111.851 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.6 -36.35 76.12 Favored 'General case' 0 N--CA 1.505 2.319 0 C-N-CA 124.769 1.228 . . . . 0.0 111.414 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -72.61 -25.52 61.34 Favored 'General case' 0 C--N 1.385 2.129 0 C-N-CA 126.593 1.957 . . . . 0.0 112.354 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.7 m -78.78 -30.01 45.34 Favored 'General case' 0 C--N 1.386 2.167 0 C-N-CA 123.598 0.759 . . . . 0.0 109.441 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.7 tp -70.84 -41.86 70.92 Favored 'General case' 0 C--N 1.388 2.255 0 C-N-CA 125.835 1.654 . . . . 0.0 110.252 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.4 p -71.73 -30.48 65.67 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 125.166 1.386 . . . . 0.0 112.9 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -78.22 -39.72 39.59 Favored 'General case' 0 N--CA 1.518 2.927 0 C-N-CA 124.18 0.992 . . . . 0.0 113.524 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -66.49 -33.12 74.98 Favored 'General case' 0 C--N 1.39 2.349 0 C-N-CA 124.356 1.062 . . . . 0.0 110.208 176.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.408 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 8.7 mt-10 -63.62 -33.62 76.03 Favored 'General case' 0 C--N 1.387 2.237 0 C-N-CA 126.555 1.942 . . . . 0.0 112.145 175.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.69 95.0 Favored 'General case' 0 C--N 1.394 2.524 0 C-N-CA 124.146 0.979 . . . . 0.0 112.86 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.45 -29.94 67.74 Favored 'General case' 0 N--CA 1.51 2.541 0 C-N-CA 123.542 0.737 . . . . 0.0 112.234 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.42 HG13 ' OE2' ' A' ' 130' ' ' GLU . 55.4 t -62.82 -37.8 80.1 Favored 'Isoleucine or valine' 0 C--N 1.381 1.959 0 C-N-CA 126.499 1.92 . . . . 0.0 109.775 175.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -55.02 -33.12 62.37 Favored 'General case' 0 C--N 1.396 2.607 0 C-N-CA 125.083 1.353 . . . . 0.0 112.312 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -69.68 -38.27 76.97 Favored 'General case' 0 C--N 1.402 2.876 0 C-N-CA 125.477 1.511 . . . . 0.0 112.076 176.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.89 33.44 2.4 Favored Glycine 0 C--N 1.376 2.759 0 N-CA-C 116.562 1.385 . . . . 0.0 116.562 174.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.68 113.0 24.42 Favored 'General case' 0 C--N 1.38 1.895 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.72 -27.73 64.2 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 113.137 -1.847 . . . . 0.0 113.043 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.5 m -72.17 -38.05 69.2 Favored 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 124.731 1.212 . . . . 0.0 110.85 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.5 -23.44 56.75 Favored 'General case' 0 C--N 1.389 2.323 0 C-N-CA 124.168 0.987 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.9 t -76.29 -47.06 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 125.956 1.702 . . . . 0.0 109.884 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.53 -37.75 85.67 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 127.239 2.216 . . . . 0.0 112.767 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.87 -48.91 74.8 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 126.414 1.886 . . . . 0.0 109.047 173.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 4.8 tt -61.05 -43.66 98.56 Favored 'General case' 0 N--CA 1.511 2.576 0 O-C-N 125.036 1.46 . . . . 0.0 112.019 174.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.63 -42.08 91.93 Favored 'General case' 0 N--CA 1.511 2.609 0 C-N-CA 124.884 1.274 . . . . 0.0 113.775 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.6 -39.12 73.98 Favored 'General case' 0 N--CA 1.514 2.734 0 C-N-CA 125.266 1.427 . . . . 0.0 111.967 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.03 -33.8 68.3 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 124.706 1.203 . . . . 0.0 110.698 174.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.559 ' O ' HG21 ' A' ' 83' ' ' ILE . 0.5 OUTLIER -66.11 -46.36 77.89 Favored 'General case' 0 C--N 1.38 1.926 0 CA-C-O 117.713 -1.137 . . . . 0.0 111.855 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.46 -36.49 76.63 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 124.503 1.121 . . . . 0.0 112.757 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.66 81.2 Favored 'General case' 0 C--N 1.385 2.138 0 C-N-CA 125.678 1.591 . . . . 0.0 110.638 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -73.97 -27.77 61.15 Favored 'General case' 0 C--N 1.376 1.748 0 C-N-CA 123.931 0.893 . . . . 0.0 112.594 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.559 HG21 ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -64.66 -43.59 96.64 Favored 'Isoleucine or valine' 0 C--N 1.389 2.287 0 CA-C-N 118.334 0.516 . . . . 0.0 110.649 177.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.84 -44.78 76.38 Favored 'General case' 0 N--CA 1.503 2.202 0 C-N-CA 125.532 1.533 . . . . 0.0 112.101 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.79 -44.73 55.08 Favored 'General case' 0 C--N 1.379 1.852 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.49 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 9.3 mp -86.79 -42.61 13.16 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -175.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.553 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -68.27 -38.47 81.76 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 118.781 -0.628 . . . . 0.0 112.006 178.736 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -78.76 -40.25 33.8 Favored 'General case' 0 C--N 1.386 2.154 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -72.48 -33.04 66.71 Favored 'General case' 0 N--CA 1.515 2.822 0 CA-C-N 119.4 1.0 . . . . 0.0 110.319 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 86' ' ' LEU . . . -73.59 -31.16 63.43 Favored 'General case' 0 C--N 1.385 2.144 0 C-N-CA 124.054 0.941 . . . . 0.0 109.973 175.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -68.05 -34.75 77.05 Favored 'General case' 0 C--N 1.411 3.274 0 C-N-CA 124.735 1.214 . . . . 0.0 114.112 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.6 p -84.15 -21.28 31.41 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 119.071 0.851 . . . . 0.0 110.287 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.17 -28.81 60.22 Favored 'General case' 0 C--N 1.39 2.363 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.989 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.07 -8.64 58.49 Favored 'General case' 0 C--N 1.398 2.689 0 C-N-CA 125.575 1.55 . . . . 0.0 112.012 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.498 1.949 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 -179.674 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.949 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.88 -36.01 72.58 Favored 'General case' 0 C--N 1.384 2.078 0 C-N-CA 125.657 1.583 . . . . 0.0 111.806 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -70.15 -33.25 71.55 Favored 'General case' 0 C--N 1.387 2.212 0 C-N-CA 124.605 1.162 . . . . 0.0 111.231 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.64 -36.91 83.69 Favored 'General case' 0 C--N 1.386 2.163 0 C-N-CA 125.862 1.665 . . . . 0.0 110.66 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 1.1 mpt_? -74.58 -50.22 18.78 Favored 'General case' 0 C--N 1.375 1.698 0 C-N-CA 123.929 0.892 . . . . 0.0 111.013 175.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.15 -60.22 3.92 Favored 'General case' 0 CA--C 1.601 2.908 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -83.52 -44.19 14.94 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 40.5 mt-10 -71.91 -33.84 68.63 Favored 'General case' 0 N--CA 1.508 2.468 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 -178.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.59 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 5.6 m-85 -68.8 -38.85 80.22 Favored 'General case' 0 C--N 1.392 2.441 0 CA-C-O 118.714 -0.66 . . . . 0.0 111.717 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -65.71 -38.97 90.68 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.87 -42.73 85.11 Favored 'General case' 0 N--CA 1.52 3.069 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -69.23 -37.32 77.95 Favored 'General case' 0 N--CA 1.508 2.441 0 C-N-CA 124.294 1.038 . . . . 0.0 112.649 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -71.33 -28.44 64.09 Favored 'General case' 0 C--N 1.379 1.861 0 C-N-CA 124.824 1.25 . . . . 0.0 112.206 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -65.47 -47.75 75.02 Favored 'General case' 0 N--CA 1.504 2.253 0 C-N-CA 125.777 1.631 . . . . 0.0 114.285 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.72 -39.23 67.09 Favored 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.42 -33.06 73.07 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 123.556 0.535 . . . . 0.0 110.404 174.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -34.11 73.18 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 125.016 1.326 . . . . 0.0 112.341 175.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.95 86.1 Favored 'General case' 0 C--N 1.404 2.975 0 C-N-CA 125.473 1.509 . . . . 0.0 112.816 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.6 mtt -64.65 -40.21 95.03 Favored 'General case' 0 C--N 1.391 2.377 0 O-C-N 124.685 1.24 . . . . 0.0 110.642 177.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 94.8 mttt -67.26 -40.68 86.23 Favored 'General case' 0 C--N 1.384 2.103 0 C-N-CA 124.814 1.245 . . . . 0.0 110.797 176.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.23 -44.09 92.94 Favored 'General case' 0 N--CA 1.517 2.905 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 -176.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -70.82 -41.09 72.0 Favored 'General case' 0 N--CA 1.51 2.537 0 C-N-CA 123.887 0.875 . . . . 0.0 113.072 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.62 -34.4 74.02 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 124.46 1.104 . . . . 0.0 112.979 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 47.3 mt-10 -70.27 -39.6 74.83 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -71.18 -40.69 71.07 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-N 119.124 0.875 . . . . 0.0 112.758 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.25 -41.7 63.39 Favored 'General case' 0 C--N 1.391 2.39 0 CA-C-N 113.465 -1.698 . . . . 0.0 114.932 -173.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -90.54 -8.21 50.88 Favored 'General case' 0 CA--C 1.578 2.033 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.84 91.29 Favored 'General case' 0 N--CA 1.516 2.862 0 C-N-CA 125.588 1.555 . . . . 0.0 111.944 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -81.83 -13.18 58.0 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 125.44 1.496 . . . . 0.0 112.678 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -94.97 -24.88 16.75 Favored 'General case' 0 C--N 1.383 2.064 0 C-N-CA 125.152 1.381 . . . . 0.0 109.328 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 65.13 30.93 11.29 Favored 'General case' 0 N--CA 1.521 3.125 0 C-N-CA 127.565 2.346 . . . . 0.0 112.317 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.79 125.78 83.56 Favored Pre-proline 0 CA--C 1.571 1.753 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -177.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -58.27 -9.71 7.08 Favored 'Trans proline' 1 C--N 1.429 4.792 0 C-N-CA 124.686 3.591 . . . . 0.0 114.228 173.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -61.51 -27.69 68.78 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 123.68 0.792 . . . . 0.0 110.959 175.51 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 21.6 mt -56.33 -44.56 80.12 Favored 'General case' 0 N--CA 1.516 2.856 0 C-N-CA 126.438 1.895 . . . . 0.0 113.104 174.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.05 72.3 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.671 1.588 . . . . 0.0 110.808 -174.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -72.03 -37.54 69.71 Favored 'General case' 0 CA--C 1.583 2.24 0 O-C-N 124.161 0.913 . . . . 0.0 111.864 174.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 39.7 mt-10 -77.36 -51.15 11.31 Favored 'General case' 0 N--CA 1.512 2.663 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 -177.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -38.16 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.795 0 CA-C-N 119.561 1.073 . . . . 0.0 111.288 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 97.1 m -63.08 -40.46 97.74 Favored 'General case' 0 CA--C 1.584 2.283 0 CA-C-N 118.516 0.598 . . . . 0.0 110.598 177.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.81 85.58 Favored 'General case' 0 N--CA 1.509 2.475 0 C-N-CA 124.266 1.026 . . . . 0.0 112.856 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 13.1 mt -73.46 -31.32 63.72 Favored 'General case' 0 C--N 1.38 1.921 0 C-N-CA 124.708 1.203 . . . . 0.0 111.934 177.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -29.85 68.13 Favored 'General case' 0 C--N 1.392 2.428 0 C-N-CA 125.594 1.558 . . . . 0.0 112.232 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -75.47 -35.48 60.86 Favored 'General case' 0 C--N 1.387 2.225 0 C-N-CA 124.975 1.31 . . . . 0.0 109.16 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -71.37 -35.58 71.14 Favored 'General case' 0 C--N 1.387 2.199 0 C-N-CA 125.676 1.59 . . . . 0.0 112.465 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.45 -38.91 92.66 Favored 'General case' 0 C--N 1.381 1.937 0 C-N-CA 124.476 1.111 . . . . 0.0 110.106 174.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.7 p -77.01 -38.7 52.47 Favored 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 123.662 0.785 . . . . 0.0 112.845 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -72.66 -33.36 66.52 Favored 'General case' 0 N--CA 1.517 2.898 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 76.2 m -71.65 -39.1 70.57 Favored 'General case' 0 C--N 1.385 2.142 0 C-N-CA 123.503 0.721 . . . . 0.0 110.502 177.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -59.17 -39.39 82.37 Favored 'General case' 0 C--N 1.394 2.528 0 C-N-CA 125.618 1.567 . . . . 0.0 113.268 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 6.8 m -70.36 -40.85 73.78 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 124.96 1.304 . . . . 0.0 111.52 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.67 -37.64 76.74 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 125.778 1.631 . . . . 0.0 112.805 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 16.2 mt -70.04 -39.95 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.839 0 C-N-CA 126.094 1.758 . . . . 0.0 110.971 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.95 97.75 Favored 'General case' 0 C--N 1.391 2.394 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.09 -41.65 67.07 Favored 'General case' 0 N--CA 1.51 2.541 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.8 p -71.66 -39.48 70.3 Favored 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.03 -35.39 69.37 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.989 0.915 . . . . 0.0 113.195 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -70.05 -35.41 74.25 Favored 'General case' 0 N--CA 1.507 2.396 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -71.26 -36.02 71.61 Favored 'General case' 0 C--N 1.375 1.695 0 O-C-N 124.289 0.993 . . . . 0.0 110.891 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.76 -35.41 67.45 Favored 'General case' 0 C--N 1.39 2.36 0 C-N-CA 125.816 1.646 . . . . 0.0 112.229 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.31 -19.13 60.58 Favored 'General case' 0 C--N 1.379 1.878 0 C-N-CA 124.88 1.272 . . . . 0.0 113.424 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.379 1.873 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 CA--C 1.589 3.272 0 N-CA-C 117.443 2.055 . . . . 0.0 117.443 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mt -86.64 -35.33 19.43 Favored 'General case' 0 N--CA 1.506 2.326 0 C-N-CA 123.408 0.683 . . . . 0.0 111.868 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -36.14 51.95 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 125.147 1.379 . . . . 0.0 112.729 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.35 -31.35 67.25 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 123.923 0.889 . . . . 0.0 109.966 178.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -66.22 -37.57 85.86 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 124.434 1.084 . . . . 0.0 111.722 176.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.3 m -70.92 -41.1 71.66 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 124.212 1.005 . . . . 0.0 110.917 176.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.58 -44.94 85.72 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 124.455 1.102 . . . . 0.0 112.242 173.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -65.37 -38.51 90.26 Favored 'General case' 0 C--N 1.397 2.669 0 C-N-CA 125.363 1.465 . . . . 0.0 114.667 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -68.74 -37.06 79.15 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.247 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.73 -31.72 71.91 Favored 'General case' 0 N--CA 1.504 2.257 0 C-N-CA 124.7 1.2 . . . . 0.0 111.804 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -74.43 -43.82 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.449 0 C-N-CA 125.116 1.366 . . . . 0.0 110.122 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -28.89 66.76 Favored 'General case' 0 N--CA 1.507 2.381 0 C-N-CA 124.023 0.929 . . . . 0.0 111.052 174.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.74 88.3 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 125.478 1.511 . . . . 0.0 109.423 172.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.64 -36.86 73.64 Favored 'General case' 0 C--N 1.375 1.68 0 C-N-CA 124.802 1.241 . . . . 0.0 110.935 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -59.61 -38.17 80.55 Favored 'General case' 0 N--CA 1.528 3.437 0 C-N-CA 125.995 1.718 . . . . 0.0 112.735 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.82 -15.03 49.84 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 177.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.18 -29.69 11.97 Favored 'General case' 0 C--N 1.376 1.736 0 C-N-CA 124.116 0.966 . . . . 0.0 111.04 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.99 15.53 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 C-N-CA 127.29 2.236 . . . . 0.0 112.074 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.54 -72.77 0.71 Allowed Glycine 0 N--CA 1.484 1.881 0 CA-C-O 116.702 -2.165 . . . . 0.0 113.166 -175.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.53 -2.38 7.27 Favored 'Trans proline' 1 C--N 1.423 4.456 0 CA-C-N 122.068 2.934 . . . . 0.0 116.136 177.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mt -89.31 -13.82 37.11 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.243 1.417 . . . . 0.0 112.728 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.339 0 C-N-CA 126.522 1.929 . . . . 0.0 115.881 178.115 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 122.977 1.37 . . . . 0.0 111.835 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -84.28 -12.68 54.25 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 112.665 -2.062 . . . . 0.0 112.557 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -79.99 -24.02 41.16 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 124.43 1.092 . . . . 0.0 111.385 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.81 -5.78 30.49 Favored 'General case' 0 C--N 1.386 2.191 0 O-C-N 123.557 0.536 . . . . 0.0 112.059 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.51 154.46 32.5 Favored 'General case' 0 C--N 1.382 2.018 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.85 110.46 15.47 Favored 'General case' 0 C--N 1.378 1.846 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.1 t -159.91 145.25 15.32 Favored 'General case' 0 C--O 1.25 1.106 0 CA-C-N 113.407 -1.724 . . . . 0.0 107.697 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -94.66 -21.6 18.69 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.769 -1.105 . . . . 0.0 113.759 -177.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.72 78.52 1.19 Allowed Glycine 0 N--CA 1.501 2.999 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.67 -54.27 1.33 Allowed 'General case' 0 C--N 1.378 1.807 0 O-C-N 123.845 0.379 . . . . 0.0 110.609 -173.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -179.11 175.47 0.96 Allowed 'General case' 0 C--N 1.409 3.162 0 O-C-N 126.145 2.153 . . . . 0.0 112.492 -173.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.13 -22.53 64.87 Favored 'General case' 0 N--CA 1.529 3.479 0 C-N-CA 125.338 1.455 . . . . 0.0 108.248 169.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.66 -35.35 85.72 Favored Glycine 0 C--N 1.378 2.898 0 C-N-CA 126.344 1.926 . . . . 0.0 114.14 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.63 -22.03 44.13 Favored 'General case' 0 C--N 1.391 2.403 0 CA-C-N 117.409 0.604 . . . . 0.0 111.557 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -81.59 -32.44 32.09 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 114.634 -1.166 . . . . 0.0 109.642 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.54 -36.48 52.26 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 124.905 1.282 . . . . 0.0 112.38 177.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.12 -35.92 71.94 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 125.096 1.358 . . . . 0.0 112.45 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -79.58 -28.6 41.12 Favored 'General case' 0 C--N 1.378 1.818 0 C-N-CA 123.517 0.727 . . . . 0.0 110.61 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.55 -39.54 67.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 125.008 1.442 . . . . 0.0 111.049 176.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -68.83 -37.34 79.11 Favored 'General case' 0 C--N 1.38 1.933 0 C-N-CA 124.785 1.234 . . . . 0.0 110.244 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.13 -25.71 61.83 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 125.895 1.678 . . . . 0.0 112.348 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.4 m -78.66 -30.09 46.07 Favored 'General case' 0 C--N 1.385 2.146 0 C-N-CA 123.894 0.878 . . . . 0.0 109.882 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.73 -42.17 64.4 Favored 'General case' 0 C--N 1.386 2.181 0 C-N-CA 124.439 1.096 . . . . 0.0 110.685 176.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.8 p -70.33 -29.15 65.79 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 126.038 1.735 . . . . 0.0 113.431 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -76.98 -39.9 48.77 Favored 'General case' 0 N--CA 1.512 2.639 0 C-N-CA 123.596 0.758 . . . . 0.0 112.333 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.24 -33.91 76.34 Favored 'General case' 0 C--N 1.392 2.42 0 C-N-CA 124.798 1.239 . . . . 0.0 111.078 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 29.8 mt-10 -63.82 -35.12 79.58 Favored 'General case' 0 C--N 1.388 2.278 0 C-N-CA 126.128 1.771 . . . . 0.0 112.12 175.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.98 89.37 Favored 'General case' 0 C--N 1.39 2.358 0 C-N-CA 123.699 0.8 . . . . 0.0 112.73 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.64 -30.26 67.92 Favored 'General case' 0 C--N 1.392 2.451 0 C-N-CA 123.507 0.723 . . . . 0.0 112.129 173.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.46 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 64.8 t -61.79 -38.81 81.37 Favored 'Isoleucine or valine' 0 C--N 1.387 2.221 0 C-N-CA 126.393 1.877 . . . . 0.0 109.786 175.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -53.69 -34.89 60.25 Favored 'General case' 0 C--N 1.395 2.564 0 C-N-CA 124.856 1.262 . . . . 0.0 112.205 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -70.58 -38.87 74.12 Favored 'General case' 0 C--N 1.404 2.958 0 C-N-CA 125.465 1.506 . . . . 0.0 112.739 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.48 33.95 2.58 Favored Glycine 0 C--N 1.378 2.866 0 N-CA-C 116.202 1.241 . . . . 0.0 116.202 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.89 114.72 23.76 Favored 'General case' 0 C--N 1.382 2.013 0 CA-C-O 122.023 0.916 . . . . 0.0 109.35 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.22 -34.13 74.37 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 112.751 -2.022 . . . . 0.0 113.231 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.1 m -71.15 -37.54 72.24 Favored 'General case' 0 CA--C 1.574 1.87 0 C-N-CA 124.765 1.226 . . . . 0.0 111.482 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.52 -21.85 57.62 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 123.839 0.856 . . . . 0.0 112.075 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -78.32 -47.81 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 125.809 1.644 . . . . 0.0 110.003 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.13 -37.76 84.39 Favored 'General case' 0 C--N 1.389 2.32 0 C-N-CA 127.544 2.338 . . . . 0.0 112.518 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.19 -46.05 90.65 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 125.506 1.523 . . . . 0.0 108.931 172.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.78 -38.83 90.09 Favored 'General case' 0 N--CA 1.504 2.252 0 C-N-CA 124.973 1.309 . . . . 0.0 111.517 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.19 96.55 Favored 'General case' 0 N--CA 1.515 2.81 0 C-N-CA 125.199 1.4 . . . . 0.0 112.697 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.75 -35.93 70.27 Favored 'General case' 0 N--CA 1.517 2.88 0 C-N-CA 126.153 1.781 . . . . 0.0 110.978 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -69.36 -32.16 71.05 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 125.066 1.346 . . . . 0.0 109.723 172.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -44.52 72.71 Favored 'General case' 0 C--N 1.379 1.879 0 C-N-CA 124.692 1.197 . . . . 0.0 111.534 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.1 -41.14 82.26 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 125.153 1.381 . . . . 0.0 112.55 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.79 -36.58 80.7 Favored 'General case' 0 C--N 1.387 2.229 0 C-N-CA 126.277 1.831 . . . . 0.0 111.832 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -73.84 -27.57 61.17 Favored 'General case' 0 C--N 1.374 1.654 0 C-N-CA 123.709 0.804 . . . . 0.0 112.793 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.568 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 32.2 mt -64.08 -46.94 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 1.5 mt-10 -66.23 -46.15 78.18 Favored 'General case' 0 N--CA 1.503 2.211 0 C-N-CA 124.792 1.237 . . . . 0.0 112.368 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.36 -45.72 53.36 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.476 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 56.7 mt -86.48 -42.68 13.37 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 -175.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.568 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 32.6 mt-30 -66.65 -38.4 86.8 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 123.827 0.705 . . . . 0.0 111.941 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.2 ttt180 -79.42 -36.81 38.43 Favored 'General case' 0 C--N 1.391 2.373 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.97 -27.46 54.76 Favored 'General case' 0 C--N 1.389 2.317 0 CA-C-N 119.206 0.912 . . . . 0.0 110.455 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 86' ' ' LEU . . . -76.82 -27.66 55.24 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 124.216 1.006 . . . . 0.0 108.852 173.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.472 ' HB1' ' O ' ' A' ' 87' ' ' GLN . . . -72.35 -30.21 64.52 Favored 'General case' 0 C--N 1.411 3.268 0 C-N-CA 125.179 1.392 . . . . 0.0 112.834 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 p -85.8 -22.78 27.48 Favored 'General case' 0 C--N 1.379 1.887 0 C-N-CA 125.14 1.376 . . . . 0.0 109.723 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.92 -27.81 55.04 Favored 'General case' 0 C--N 1.386 2.178 0 C-N-CA 125.482 1.513 . . . . 0.0 111.518 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.3 p -79.17 -10.58 59.86 Favored 'General case' 0 N--CA 1.514 2.753 0 C-N-CA 125.236 1.414 . . . . 0.0 111.699 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.3 tt . . . . . 0 N--CA 1.493 1.717 0 C-N-CA 126.773 2.029 . . . . 0.0 109.712 179.122 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.567 1.61 0 CA-C-O 119.625 -0.226 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.92 -29.0 64.93 Favored 'General case' 0 N--CA 1.513 2.708 0 C-N-CA 124.34 1.056 . . . . 0.0 112.949 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -68.9 -36.87 78.55 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 124.871 1.269 . . . . 0.0 110.755 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -67.94 -35.99 79.36 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 125.984 1.714 . . . . 0.0 111.629 175.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 6.8 mpt_? -72.51 -49.23 34.38 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 123.77 0.828 . . . . 0.0 110.931 175.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.43 -60.16 4.14 Favored 'General case' 0 CA--C 1.592 2.576 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.81 -44.74 26.49 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 116.909 2.188 . . . . 0.0 116.909 -175.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 43.6 mt-10 -71.98 -36.5 69.82 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -178.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 8.2 m-85 -68.83 -41.46 78.53 Favored 'General case' 0 C--N 1.388 2.257 0 C-N-CA 123.253 0.621 . . . . 0.0 112.377 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -70.38 -38.39 74.71 Favored 'General case' 0 C--N 1.384 2.095 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.59 -43.77 72.13 Favored 'General case' 0 N--CA 1.518 2.933 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -70.29 -36.89 74.66 Favored 'General case' 0 N--CA 1.505 2.303 0 C-N-CA 124.373 1.069 . . . . 0.0 113.348 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -67.81 -37.03 81.44 Favored 'General case' 0 C--N 1.379 1.884 0 C-N-CA 124.737 1.215 . . . . 0.0 113.269 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -66.41 -41.82 88.7 Favored 'General case' 0 C--N 1.383 2.043 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -72.32 -41.46 66.52 Favored 'General case' 0 N--CA 1.51 2.553 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 178.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.0 -34.23 71.62 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-N 118.405 0.548 . . . . 0.0 110.515 174.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -30.54 65.3 Favored 'General case' 0 C--N 1.377 1.767 0 C-N-CA 124.785 1.234 . . . . 0.0 113.533 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.55 87.94 Favored 'General case' 0 C--N 1.402 2.885 0 C-N-CA 125.089 1.356 . . . . 0.0 111.852 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.53 -37.51 86.96 Favored 'General case' 0 C--N 1.395 2.58 0 O-C-N 125.086 1.491 . . . . 0.0 110.767 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -67.62 -38.14 83.49 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 125.203 1.401 . . . . 0.0 111.144 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -73.37 -44.84 57.86 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.32 -41.39 80.89 Favored 'General case' 0 N--CA 1.515 2.817 0 C-N-CA 124.429 1.091 . . . . 0.0 113.403 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.21 -37.88 86.61 Favored 'General case' 0 C--N 1.384 2.101 0 C-N-CA 124.637 1.175 . . . . 0.0 112.009 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.635 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 0.9 OUTLIER -66.73 -36.27 82.06 Favored 'General case' 0 C--N 1.39 2.364 0 CA-C-O 117.337 -1.316 . . . . 0.0 113.585 178.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -69.33 -47.32 64.78 Favored 'General case' 0 C--O 1.276 2.453 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -175.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -73.28 -39.46 65.35 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 113.297 -1.774 . . . . 0.0 113.958 -174.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -89.54 -10.52 45.85 Favored 'General case' 0 CA--C 1.578 2.048 0 C-N-CA 124.049 0.94 . . . . 0.0 113.464 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 130' ' ' GLU . . . -64.52 -37.1 86.39 Favored 'General case' 0 N--CA 1.521 3.077 0 C-N-CA 125.684 1.594 . . . . 0.0 111.95 175.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -78.18 -14.7 59.35 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 125.92 1.688 . . . . 0.0 113.545 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.74 -23.19 16.03 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 124.917 1.287 . . . . 0.0 110.011 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 70.81 82.63 0.15 Allowed 'General case' 0 C--N 1.395 2.571 0 C-N-CA 128.008 2.523 . . . . 0.0 109.813 -176.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.03 104.07 46.98 Favored Pre-proline 0 CA--C 1.558 1.278 0 CA-C-N 112.151 -2.295 . . . . 0.0 113.535 -177.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -62.45 -9.54 15.9 Favored 'Trans proline' 1 C--N 1.434 5.027 0 C-N-CA 124.225 3.283 . . . . 0.0 112.648 171.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 35.7 tt0 -58.41 -37.08 74.6 Favored 'General case' 0 CA--C 1.577 1.999 0 C-N-CA 125.46 1.504 . . . . 0.0 111.795 175.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.33 -32.7 74.26 Favored 'General case' 0 N--CA 1.517 2.902 0 C-N-CA 126.044 1.738 . . . . 0.0 112.642 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.18 77.21 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 114.25 -1.341 . . . . 0.0 109.702 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -72.14 -38.75 69.17 Favored 'General case' 0 CA--C 1.583 2.225 0 C-N-CA 123.679 0.792 . . . . 0.0 111.945 173.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 23.8 mt-10 -76.94 -45.97 25.85 Favored 'General case' 0 N--CA 1.515 2.781 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 73.2 mt -68.02 -41.88 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.063 0 C-N-CA 125.65 1.58 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 86.0 m -62.67 -40.42 97.04 Favored 'General case' 0 CA--C 1.584 2.265 0 O-C-N 124.523 1.14 . . . . 0.0 110.255 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.71 93.37 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 124.54 1.136 . . . . 0.0 112.457 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.27 -28.08 61.05 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 125.015 1.326 . . . . 0.0 111.747 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -31.63 71.33 Favored 'General case' 0 C--N 1.393 2.467 0 C-N-CA 126.122 1.769 . . . . 0.0 111.744 177.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -75.01 -34.43 61.92 Favored 'General case' 0 C--N 1.388 2.271 0 C-N-CA 125.329 1.452 . . . . 0.0 109.275 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -71.44 -35.34 70.9 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 125.219 1.408 . . . . 0.0 112.669 178.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.66 -41.29 98.23 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 124.832 1.253 . . . . 0.0 109.894 173.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.6 p -75.86 -37.25 59.12 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 123.959 0.787 . . . . 0.0 112.671 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -73.48 -29.39 62.48 Favored 'General case' 0 N--CA 1.516 2.86 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 178.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 5.3 t -75.92 -35.34 59.8 Favored 'General case' 0 C--N 1.38 1.928 0 C-N-CA 124.242 1.017 . . . . 0.0 109.891 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -67.34 -38.82 85.47 Favored 'General case' 0 C--N 1.393 2.493 0 C-N-CA 125.309 1.443 . . . . 0.0 111.552 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 20.7 m -70.3 -41.09 73.81 Favored 'General case' 0 C--N 1.384 2.083 0 C-N-CA 125.937 1.695 . . . . 0.0 111.311 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.59 87.31 Favored 'General case' 0 C--N 1.381 1.978 0 C-N-CA 125.945 1.698 . . . . 0.0 112.765 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 39.2 mt -70.57 -40.24 77.01 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.175 0 C-N-CA 125.691 1.597 . . . . 0.0 110.088 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.43 99.31 Favored 'General case' 0 C--N 1.393 2.492 0 C-N-CA 124.554 1.141 . . . . 0.0 113.796 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.0 -39.5 79.27 Favored 'General case' 0 N--CA 1.512 2.658 0 C-N-CA 125.131 1.372 . . . . 0.0 113.293 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 14.9 p -71.61 -30.16 65.48 Favored 'General case' 0 N--CA 1.508 2.436 0 C-N-CA 124.473 1.109 . . . . 0.0 112.425 178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.82 -31.76 65.04 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 124.735 1.214 . . . . 0.0 112.174 177.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.16 -37.1 80.65 Favored 'General case' 0 N--CA 1.513 2.69 0 C-N-CA 125.068 1.347 . . . . 0.0 112.318 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.14 -33.03 71.3 Favored 'General case' 0 C--N 1.376 1.757 0 C-N-CA 124.797 1.239 . . . . 0.0 110.481 176.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.9 mt -73.45 -29.21 62.4 Favored 'General case' 0 C--N 1.39 2.332 0 C-N-CA 125.422 1.489 . . . . 0.0 112.124 177.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.56 -32.29 71.0 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 125.853 1.661 . . . . 0.0 112.779 177.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 . . . . . 0 C--N 1.383 2.064 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -177.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo . . . . . 0 CA--C 1.58 2.82 0 N-CA-C 113.644 0.594 . . . . 0.0 113.644 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.04 -48.09 5.26 Favored 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 123.084 0.554 . . . . 0.0 111.565 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -38.07 50.4 Favored 'General case' 0 C--N 1.372 1.577 0 C-N-CA 125.195 1.398 . . . . 0.0 112.435 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -33.04 72.93 Favored 'General case' 0 C--N 1.381 1.971 0 C-N-CA 124.486 1.115 . . . . 0.0 111.683 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -69.49 -37.54 77.28 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 124.558 1.161 . . . . 0.0 111.522 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.5 m -71.48 -40.77 70.03 Favored 'General case' 0 C--N 1.383 2.065 0 C-N-CA 123.634 0.774 . . . . 0.0 111.343 176.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mt -58.86 -44.71 91.09 Favored 'General case' 0 C--N 1.388 2.278 0 O-C-N 124.336 1.022 . . . . 0.0 112.27 173.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -65.49 -39.56 92.06 Favored 'General case' 0 C--N 1.397 2.641 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -70.04 -36.93 75.41 Favored 'General case' 0 C--N 1.378 1.827 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.777 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.89 -30.4 71.5 Favored 'General case' 0 N--CA 1.51 2.537 0 C-N-CA 124.268 1.027 . . . . 0.0 111.803 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.63 -44.94 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.332 0 C-N-CA 125.357 1.463 . . . . 0.0 110.021 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.43 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -69.17 -28.71 66.65 Favored 'General case' 0 N--CA 1.505 2.293 0 C-N-CA 124.152 0.981 . . . . 0.0 111.283 174.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.64 91.26 Favored 'General case' 0 N--CA 1.506 2.367 0 C-N-CA 125.45 1.5 . . . . 0.0 109.453 172.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.83 -37.48 73.19 Favored 'General case' 0 C--N 1.374 1.653 0 CA-C-O 117.497 -1.239 . . . . 0.0 111.037 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -59.48 -39.28 83.22 Favored 'General case' 0 N--CA 1.531 3.606 0 C-N-CA 126.313 1.845 . . . . 0.0 113.877 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.79 -14.11 56.82 Favored 'General case' 0 CA--C 1.56 1.354 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 176.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 mp -99.68 -25.84 14.26 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 124.236 1.014 . . . . 0.0 110.233 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.38 15.45 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 C-N-CA 127.405 2.282 . . . . 0.0 112.182 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.43 -67.82 1.68 Allowed Glycine 0 N--CA 1.489 2.223 0 CA-C-O 117.181 -1.9 . . . . 0.0 114.001 -175.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -71.7 -8.1 22.47 Favored 'Trans proline' 1 C--N 1.426 4.631 0 CA-C-N 122.042 2.921 . . . . 0.0 115.532 176.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mt -91.9 -6.49 51.36 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 125.759 1.624 . . . . 0.0 112.944 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.019 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 179.676 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 122.148 0.975 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -83.56 -4.54 58.64 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 113.399 -1.728 . . . . 0.0 114.01 -177.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -80.15 -26.96 39.11 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.003 0.921 . . . . 0.0 110.921 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 mt -100.4 -3.99 29.92 Favored 'General case' 0 C--N 1.385 2.123 0 C-N-CA 123.851 0.86 . . . . 0.0 111.921 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -120.87 155.88 33.17 Favored 'General case' 0 C--N 1.382 1.988 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.51 111.98 16.94 Favored 'General case' 0 C--N 1.378 1.812 0 CA-C-N 113.814 -1.539 . . . . 0.0 107.014 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.5 t -137.53 158.58 44.08 Favored 'General case' 0 N--CA 1.499 1.993 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.466 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -108.46 47.04 0.92 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -176.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.23 -69.59 0.49 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 118.869 2.307 . . . . 0.0 118.869 169.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -173.08 60.09 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 119.939 1.87 . . . . 0.0 110.571 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -135.19 136.37 41.74 Favored 'General case' 0 CA--C 1.558 1.265 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -28.12 65.26 Favored 'General case' 0 N--CA 1.526 3.34 0 C-N-CA 123.884 0.873 . . . . 0.0 109.068 171.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.22 -36.39 92.34 Favored Glycine 0 C--N 1.382 3.1 0 O-C-N 125.062 1.476 . . . . 0.0 113.981 176.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -23.53 39.76 Favored 'General case' 0 C--N 1.395 2.575 0 CA-C-N 117.756 0.778 . . . . 0.0 112.138 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -81.28 -31.74 33.53 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.193 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mt -77.22 -34.33 56.06 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 125.021 1.328 . . . . 0.0 112.755 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.09 -31.06 68.45 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.309 1.444 . . . . 0.0 111.253 176.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -80.04 -31.45 39.5 Favored 'General case' 0 C--N 1.382 2.009 0 C-N-CA 123.404 0.681 . . . . 0.0 109.402 178.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.22 -40.4 67.83 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 125.195 1.559 . . . . 0.0 112.122 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -67.35 -37.74 83.72 Favored 'General case' 0 N--CA 1.503 2.222 0 C-N-CA 124.873 1.269 . . . . 0.0 110.858 174.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.63 -26.04 61.52 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 126.087 1.755 . . . . 0.0 112.977 177.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 m -78.31 -30.74 48.47 Favored 'General case' 0 C--N 1.386 2.184 0 C-N-CA 123.991 0.916 . . . . 0.0 110.275 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.19 -43.39 67.52 Favored 'General case' 0 C--N 1.383 2.037 0 C-N-CA 124.372 1.069 . . . . 0.0 110.684 176.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.1 p -70.72 -31.62 68.54 Favored 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 125.761 1.624 . . . . 0.0 114.197 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -77.51 -42.29 36.16 Favored 'General case' 0 N--CA 1.513 2.712 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.31 -32.28 72.29 Favored 'General case' 0 C--N 1.389 2.325 0 C-N-CA 124.246 1.018 . . . . 0.0 111.222 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.471 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 11.6 mt-10 -66.24 -32.61 74.13 Favored 'General case' 0 C--N 1.386 2.177 0 C-N-CA 126.063 1.745 . . . . 0.0 112.103 176.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.3 90.57 Favored 'General case' 0 C--N 1.391 2.406 0 C-N-CA 124.058 0.943 . . . . 0.0 112.325 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.29 67.93 Favored 'General case' 0 C--N 1.395 2.559 0 C-N-CA 123.763 0.825 . . . . 0.0 112.162 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.471 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 52.4 t -60.92 -38.83 80.19 Favored 'Isoleucine or valine' 0 C--N 1.383 2.058 0 C-N-CA 126.462 1.905 . . . . 0.0 110.365 175.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -53.33 -33.01 51.7 Favored 'General case' 0 C--N 1.392 2.444 0 O-C-N 124.902 1.376 . . . . 0.0 112.682 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -70.27 -37.42 74.86 Favored 'General case' 0 C--N 1.402 2.858 0 C-N-CA 125.336 1.454 . . . . 0.0 112.69 176.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.13 35.65 1.77 Allowed Glycine 0 C--N 1.375 2.708 0 N-CA-C 116.443 1.337 . . . . 0.0 116.443 175.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.25 110.26 21.79 Favored 'General case' 0 C--N 1.38 1.911 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.17 -25.02 62.36 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 113.594 -1.639 . . . . 0.0 113.536 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.9 m -71.67 -37.69 70.73 Favored 'General case' 0 CA--C 1.572 1.825 0 C-N-CA 124.954 1.302 . . . . 0.0 111.047 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -75.74 -22.61 56.37 Favored 'General case' 0 C--N 1.39 2.364 0 C-N-CA 124.105 0.962 . . . . 0.0 112.018 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.9 t -76.68 -48.47 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 C-N-CA 126.387 1.875 . . . . 0.0 109.699 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.33 84.39 Favored 'General case' 0 C--N 1.386 2.153 0 C-N-CA 127.184 2.194 . . . . 0.0 112.494 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -41.7 98.12 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 125.771 1.628 . . . . 0.0 109.643 172.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.4 tt -71.47 -37.56 71.32 Favored 'General case' 0 CA--C 1.572 1.792 0 C-N-CA 124.586 1.154 . . . . 0.0 109.81 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.81 -40.67 97.17 Favored 'General case' 0 N--CA 1.512 2.644 0 C-N-CA 124.787 1.235 . . . . 0.0 112.269 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -70.91 -37.91 72.96 Favored 'General case' 0 N--CA 1.517 2.886 0 C-N-CA 126.36 1.864 . . . . 0.0 110.92 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -70.24 -33.91 72.2 Favored 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 125.509 1.523 . . . . 0.0 110.377 173.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -45.4 70.53 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 124.46 1.104 . . . . 0.0 112.338 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.96 -41.38 82.53 Favored 'General case' 0 C--N 1.388 2.258 0 C-N-CA 125.083 1.353 . . . . 0.0 112.96 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.17 83.91 Favored 'General case' 0 C--N 1.389 2.315 0 C-N-CA 126.079 1.751 . . . . 0.0 112.124 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -73.11 -28.04 62.04 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 123.511 0.724 . . . . 0.0 112.876 176.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.541 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 27.7 mt -63.14 -46.65 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.362 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.72 -47.32 72.71 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 124.628 1.171 . . . . 0.0 112.539 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.2 -44.47 62.92 Favored 'General case' 0 C--N 1.377 1.803 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.635 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 62.2 mt -86.45 -46.62 10.04 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -175.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 19.4 mt-30 -65.24 -36.0 82.78 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 124.068 0.855 . . . . 0.0 112.737 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -74.91 -41.02 60.52 Favored 'General case' 0 CA--C 1.585 2.321 0 C-N-CA 124.752 1.221 . . . . 0.0 113.346 177.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -75.52 -26.65 58.24 Favored 'General case' 0 C--N 1.392 2.436 0 CA-C-N 119.753 1.161 . . . . 0.0 110.132 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 86' ' ' LEU . . . -77.35 -24.0 50.79 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 126.017 1.727 . . . . 0.0 110.331 174.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.6 91.21 Favored 'General case' 0 C--N 1.409 3.179 0 C-N-CA 123.741 0.816 . . . . 0.0 113.202 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 p -76.03 -29.15 57.99 Favored 'General case' 0 C--N 1.389 2.317 0 C-N-CA 124.766 1.226 . . . . 0.0 111.191 175.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.94 -34.92 70.41 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 125.171 1.388 . . . . 0.0 113.727 174.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.3 p -73.83 -8.35 55.71 Favored 'General case' 0 N--CA 1.523 3.214 0 C-N-CA 125.1 1.36 . . . . 0.0 114.048 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.164 0 C-N-CA 126.199 1.8 . . . . 0.0 112.696 172.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 . . . . . 0 N--CA 1.511 2.61 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -29.28 57.28 Favored 'General case' 0 N--CA 1.506 2.355 0 C-N-CA 124.543 1.137 . . . . 0.0 112.59 176.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -70.49 -35.03 73.01 Favored 'General case' 0 C--N 1.382 1.984 0 C-N-CA 125.045 1.338 . . . . 0.0 110.738 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -65.47 -34.91 79.39 Favored 'General case' 0 C--N 1.396 2.595 0 C-N-CA 126.248 1.819 . . . . 0.0 111.0 173.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.607 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -71.91 -45.72 60.2 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 123.481 0.713 . . . . 0.0 110.401 174.902 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -62.49 1.76 Allowed 'General case' 0 CA--C 1.599 2.859 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.76 -42.06 18.44 Favored 'General case' 0 C--N 1.383 2.027 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -175.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 31.2 mt-10 -75.04 -28.16 60.32 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.607 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 4.0 m-85 -69.9 -40.34 75.67 Favored 'General case' 0 C--N 1.392 2.431 0 CA-C-N 118.581 0.628 . . . . 0.0 112.138 176.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -70.12 -35.45 74.12 Favored 'General case' 0 C--N 1.386 2.175 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.77 -40.74 79.57 Favored 'General case' 0 N--CA 1.517 2.898 0 C-N-CA 124.494 1.118 . . . . 0.0 113.723 178.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -70.41 -35.66 73.56 Favored 'General case' 0 N--CA 1.507 2.387 0 C-N-CA 124.504 1.122 . . . . 0.0 112.372 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -71.11 -27.96 63.96 Favored 'General case' 0 C--N 1.383 2.038 0 C-N-CA 124.974 1.309 . . . . 0.0 111.978 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -66.36 -47.41 73.49 Favored 'General case' 0 C--N 1.387 2.21 0 C-N-CA 125.985 1.714 . . . . 0.0 113.447 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -72.23 -39.39 68.52 Favored 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.6 mt -59.46 -34.32 72.38 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 123.582 0.551 . . . . 0.0 110.442 173.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.16 -31.59 67.88 Favored 'General case' 0 C--N 1.379 1.87 0 C-N-CA 124.567 1.147 . . . . 0.0 113.143 176.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.21 92.46 Favored 'General case' 0 C--N 1.404 2.959 0 C-N-CA 125.202 1.401 . . . . 0.0 112.405 -177.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.2 mtt -64.37 -39.81 94.6 Favored 'General case' 0 C--N 1.396 2.619 0 O-C-N 125.111 1.507 . . . . 0.0 110.719 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -66.12 -40.76 90.95 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 124.545 1.138 . . . . 0.0 110.668 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -64.13 -40.66 96.66 Favored 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 -175.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.01 -40.53 78.61 Favored 'General case' 0 N--CA 1.51 2.569 0 C-N-CA 123.897 0.879 . . . . 0.0 111.976 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.68 -32.36 69.59 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 124.522 1.129 . . . . 0.0 112.462 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 63.5 mt-10 -65.89 -42.82 89.8 Favored 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 125.712 1.605 . . . . 0.0 113.682 178.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -73.14 -42.93 62.32 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -177.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.04 -40.25 68.51 Favored 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -173.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -88.94 -13.61 38.61 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -65.52 -38.56 90.02 Favored 'General case' 0 N--CA 1.515 2.786 0 C-N-CA 125.42 1.488 . . . . 0.0 113.359 175.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -84.62 -17.11 39.71 Favored 'General case' 0 N--CA 1.508 2.427 0 C-N-CA 125.94 1.696 . . . . 0.0 114.026 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -93.34 -19.97 20.82 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 126.141 1.776 . . . . 0.0 109.584 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.14 88.16 0.09 Allowed 'General case' 0 C--N 1.389 2.307 0 C-N-CA 126.47 1.908 . . . . 0.0 108.257 -176.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.98 128.43 21.48 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-N 112.155 -2.293 . . . . 0.0 115.973 -175.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -68.97 -8.35 23.32 Favored 'Trans proline' 1 C--N 1.428 4.756 0 C-N-CA 122.814 2.343 . . . . 0.0 111.568 170.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -64.1 -27.87 69.39 Favored 'General case' 0 C--N 1.391 2.397 0 C-N-CA 123.888 0.875 . . . . 0.0 111.427 176.496 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.32 -40.99 83.55 Favored 'General case' 0 N--CA 1.521 3.093 0 C-N-CA 126.01 1.724 . . . . 0.0 112.004 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.37 70.66 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-N 113.251 -1.795 . . . . 0.0 110.751 -175.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -72.16 -38.93 69.05 Favored 'General case' 0 CA--C 1.58 2.117 0 O-C-N 123.918 0.761 . . . . 0.0 112.358 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 29.9 mt-10 -78.07 -50.04 12.81 Favored 'General case' 0 N--CA 1.511 2.591 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -177.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 149' ' ' ASP . 5.7 mt -69.35 -39.79 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.66 0 C-N-CA 124.182 0.993 . . . . 0.0 110.445 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 92.4 m -63.41 -40.93 98.53 Favored 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 123.73 0.812 . . . . 0.0 110.974 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.32 93.72 Favored 'General case' 0 N--CA 1.511 2.599 0 C-N-CA 124.248 1.019 . . . . 0.0 112.865 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.37 -27.63 59.21 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 124.659 1.184 . . . . 0.0 111.599 177.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 0.4 OUTLIER -69.52 -31.74 70.16 Favored 'General case' 0 C--N 1.394 2.51 0 C-N-CA 125.972 1.709 . . . . 0.0 110.988 177.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -74.06 -36.17 64.33 Favored 'General case' 0 C--N 1.389 2.292 0 C-N-CA 126.142 1.777 . . . . 0.0 109.36 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -72.03 -32.86 67.55 Favored 'General case' 0 C--N 1.386 2.162 0 C-N-CA 125.534 1.534 . . . . 0.0 112.352 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.56 -39.69 91.97 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 124.57 1.148 . . . . 0.0 108.893 174.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 17.6 p -76.65 -35.16 58.15 Favored 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 123.596 0.758 . . . . 0.0 112.144 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -70.38 -31.48 68.74 Favored 'General case' 0 N--CA 1.509 2.488 0 C-N-CA 124.766 1.227 . . . . 0.0 112.05 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 66.8 m -70.58 -37.73 73.98 Favored 'General case' 0 C--N 1.383 2.057 0 C-N-CA 123.83 0.852 . . . . 0.0 110.158 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . 0.443 ' O ' ' HB1' ' A' ' 160' ' ' ALA . 0.2 OUTLIER -58.14 -37.13 74.03 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 124.451 1.101 . . . . 0.0 113.636 176.577 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -42.33 68.45 Favored 'General case' 0 CA--C 1.573 1.845 0 C-N-CA 124.023 0.929 . . . . 0.0 111.449 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.8 75.1 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.237 1.415 . . . . 0.0 112.844 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 46.4 mt -70.2 -43.93 78.34 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.742 0 C-N-CA 125.744 1.618 . . . . 0.0 109.861 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 156' ' ' ARG . . . -62.43 -39.83 94.59 Favored 'General case' 0 N--CA 1.511 2.623 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 176.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -65.34 -39.47 92.42 Favored 'General case' 0 N--CA 1.516 2.848 0 C-N-CA 124.785 1.234 . . . . 0.0 113.598 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 17.7 p -70.6 -33.12 70.69 Favored 'General case' 0 N--CA 1.511 2.618 0 C-N-CA 124.045 0.938 . . . . 0.0 112.246 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.13 -36.36 74.72 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 125.043 1.337 . . . . 0.0 112.127 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.5 -37.38 86.61 Favored 'General case' 0 N--CA 1.516 2.842 0 C-N-CA 125.189 1.395 . . . . 0.0 112.619 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.0 -33.35 73.52 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.725 1.21 . . . . 0.0 110.899 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -28.67 54.1 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 125.663 1.585 . . . . 0.0 112.046 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -68.68 -34.89 76.45 Favored 'General case' 0 N--CA 1.506 2.363 0 C-N-CA 125.935 1.694 . . . . 0.0 112.13 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.385 2.125 0 C-N-CA 125.37 1.468 . . . . 0.0 114.503 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo . . . . . 0 N--CA 1.527 3.443 0 N-CA-C 117.838 2.207 . . . . 0.0 117.838 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mt -84.39 -36.04 22.73 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 119.045 0.839 . . . . 0.0 111.805 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.11 -36.37 48.04 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 125.049 1.34 . . . . 0.0 112.448 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -31.93 70.48 Favored 'General case' 0 C--N 1.385 2.114 0 C-N-CA 123.939 0.896 . . . . 0.0 109.535 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.41 -37.42 85.18 Favored 'General case' 0 C--N 1.372 1.561 0 O-C-N 124.675 1.235 . . . . 0.0 110.531 177.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -70.03 -40.95 74.87 Favored 'General case' 0 C--N 1.385 2.15 0 C-N-CA 124.171 0.988 . . . . 0.0 110.833 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.58 -43.94 89.62 Favored 'General case' 0 C--N 1.39 2.336 0 O-C-N 124.399 1.062 . . . . 0.0 112.093 173.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -64.76 -40.65 95.63 Favored 'General case' 0 C--N 1.401 2.835 0 C-N-CA 125.393 1.477 . . . . 0.0 114.734 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.47 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 1.7 m -69.68 -36.36 75.92 Favored 'General case' 0 C--N 1.378 1.829 0 CA-C-O 117.858 -1.067 . . . . 0.0 110.588 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.74 -30.99 71.85 Favored 'General case' 0 N--CA 1.504 2.253 0 C-N-CA 123.991 0.916 . . . . 0.0 111.498 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.4 t -75.87 -47.94 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.475 0 C-N-CA 125.711 1.604 . . . . 0.0 111.32 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.49 -29.42 67.06 Favored 'General case' 0 N--CA 1.505 2.311 0 CA-C-N 118.807 0.731 . . . . 0.0 111.342 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 12' ' ' THR . . . -65.18 -39.95 93.58 Favored 'General case' 0 N--CA 1.511 2.588 0 C-N-CA 125.054 1.342 . . . . 0.0 110.331 171.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -34.91 68.55 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 125.296 1.438 . . . . 0.0 111.568 177.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -60.68 -39.94 90.31 Favored 'General case' 0 N--CA 1.508 2.436 0 C-N-CA 127.385 2.274 . . . . 0.0 111.785 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -29.4 64.48 Favored 'General case' 0 N--CA 1.505 2.28 0 C-N-CA 124.197 0.999 . . . . 0.0 111.942 175.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 16' ' ' ALA . 3.3 mm? -79.38 -21.34 45.86 Favored 'General case' 0 CA--C 1.589 2.448 0 C-N-CA 123.683 0.793 . . . . 0.0 112.075 174.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.3 mt -110.45 18.48 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.551 0 C-N-CA 128.275 2.63 . . . . 0.0 109.14 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.01 -84.56 0.16 Allowed Glycine 0 C--N 1.369 2.4 0 CA-C-O 116.713 -2.159 . . . . 0.0 112.383 -176.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -66.75 -2.42 7.58 Favored 'Trans proline' 1 C--N 1.421 4.378 0 CA-C-N 122.183 2.991 . . . . 0.0 115.125 175.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.62 -8.69 54.24 Favored 'General case' 0 CA--C 1.58 2.122 0 C-N-CA 126.407 1.883 . . . . 0.0 113.134 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.989 0 C-N-CA 126.672 1.989 . . . . 0.0 115.846 178.118 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 121.708 0.765 . . . . 0.0 109.853 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -82.5 -3.37 55.75 Favored 'General case' 0 N--CA 1.51 2.564 0 C-N-CA 125.308 1.443 . . . . 0.0 114.085 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -79.17 -16.71 56.2 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 123.712 0.805 . . . . 0.0 112.487 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.37 -4.53 59.19 Favored 'General case' 0 C--N 1.387 2.205 0 C-N-CA 123.753 0.821 . . . . 0.0 113.089 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.97 156.32 29.79 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 123.823 0.849 . . . . 0.0 112.573 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.54 112.3 18.32 Favored 'General case' 0 C--N 1.382 1.999 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.8 m 68.01 113.44 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.42 0 C-N-CA 127.87 2.468 . . . . 0.0 113.898 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -91.42 -45.64 8.44 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 112.251 -2.249 . . . . 0.0 110.969 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.06 8.12 41.03 Favored Glycine 1 N--CA 1.519 4.188 0 CA-C-O 115.823 -2.654 . . . . 0.0 118.241 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 60.51 29.06 18.72 Favored 'General case' 0 C--N 1.407 3.106 0 CA-C-N 121.844 2.822 . . . . 0.0 112.241 -175.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -156.4 151.17 25.95 Favored 'General case' 0 C--N 1.376 1.729 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -175.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -70.61 -22.68 62.51 Favored 'General case' 0 N--CA 1.522 3.174 0 C-N-CA 124.996 1.318 . . . . 0.0 108.69 169.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.75 -35.69 87.21 Favored Glycine 0 C--N 1.382 3.134 0 C-N-CA 124.965 1.269 . . . . 0.0 114.377 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.88 -23.46 39.0 Favored 'General case' 0 C--N 1.395 2.585 0 CA-C-N 117.879 0.84 . . . . 0.0 111.206 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -81.08 -31.61 34.32 Favored 'General case' 0 C--N 1.388 2.265 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.861 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -77.6 -33.08 53.93 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 125.136 1.375 . . . . 0.0 112.301 176.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -39.16 73.6 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.154 1.382 . . . . 0.0 111.863 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.07 -32.19 61.44 Favored 'General case' 0 C--N 1.384 2.083 0 C-N-CA 123.687 0.795 . . . . 0.0 111.378 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.12 -39.28 68.97 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 125.117 1.511 . . . . 0.0 112.261 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.12 -40.21 86.78 Favored 'General case' 0 CA--C 1.576 1.967 0 C-N-CA 124.166 0.986 . . . . 0.0 110.346 175.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -72.92 -25.73 61.16 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 126.503 1.921 . . . . 0.0 113.779 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 t -79.15 -34.06 43.59 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 123.939 0.896 . . . . 0.0 110.035 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.2 tp -72.13 -39.81 68.56 Favored 'General case' 0 C--N 1.381 1.957 0 C-N-CA 125.081 1.352 . . . . 0.0 110.617 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.1 p -71.17 -30.41 66.39 Favored 'General case' 0 N--CA 1.508 2.453 0 C-N-CA 125.204 1.402 . . . . 0.0 112.788 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -77.47 -35.46 53.75 Favored 'General case' 0 N--CA 1.51 2.532 0 C-N-CA 123.881 0.872 . . . . 0.0 112.611 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.28 -33.08 73.7 Favored 'General case' 0 C--N 1.392 2.417 0 C-N-CA 125.052 1.341 . . . . 0.0 110.791 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.0 -36.77 82.51 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 126.788 2.035 . . . . 0.0 111.557 175.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.88 94.17 Favored 'General case' 0 C--N 1.394 2.512 0 O-C-N 124.457 1.098 . . . . 0.0 112.014 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.12 -29.19 70.34 Favored 'General case' 0 C--N 1.394 2.53 0 C-N-CA 124.942 1.297 . . . . 0.0 113.486 173.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.9 t -66.69 -37.5 79.64 Favored 'Isoleucine or valine' 0 C--N 1.384 2.096 0 C-N-CA 124.956 1.302 . . . . 0.0 108.245 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -65.59 -19.6 65.98 Favored 'General case' 0 N--CA 1.51 2.543 0 C-N-CA 125.891 1.676 . . . . 0.0 111.929 174.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -77.24 -39.75 47.33 Favored 'General case' 0 C--N 1.383 2.026 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 172.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.43 30.96 2.71 Favored Glycine 0 C--N 1.383 3.177 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 171.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.91 114.83 27.13 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-O 121.923 0.868 . . . . 0.0 110.866 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.07 -25.57 61.83 Favored 'General case' 0 N--CA 1.502 2.131 0 CA-C-N 113.233 -1.803 . . . . 0.0 112.51 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.9 m -71.16 -37.85 72.21 Favored 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 125.307 1.443 . . . . 0.0 110.787 176.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -74.49 -23.0 58.79 Favored 'General case' 0 C--N 1.39 2.367 0 C-N-CA 124.275 1.03 . . . . 0.0 112.263 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.25 -46.88 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 126.39 1.876 . . . . 0.0 109.659 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.16 85.78 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 127.329 2.252 . . . . 0.0 112.486 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -46.13 86.71 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 126.132 1.773 . . . . 0.0 109.011 172.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.62 -41.98 98.23 Favored 'General case' 0 N--CA 1.511 2.585 0 O-C-N 124.711 1.257 . . . . 0.0 111.145 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.56 94.74 Favored 'General case' 0 N--CA 1.512 2.639 0 C-N-CA 125.183 1.393 . . . . 0.0 112.952 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.44 -38.08 77.66 Favored 'General case' 0 N--CA 1.52 3.049 0 C-N-CA 125.722 1.609 . . . . 0.0 111.31 176.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -69.92 -32.37 70.63 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 125.284 1.434 . . . . 0.0 110.244 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.96 -45.95 76.16 Favored 'General case' 0 CA--C 1.577 2.012 0 C-N-CA 124.87 1.268 . . . . 0.0 112.036 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.27 -39.79 82.06 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 125.09 1.356 . . . . 0.0 112.896 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.79 -36.37 80.34 Favored 'General case' 0 C--N 1.384 2.071 0 C-N-CA 125.984 1.713 . . . . 0.0 112.17 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -73.54 -28.03 61.66 Favored 'General case' 0 C--N 1.375 1.707 0 C-N-CA 123.553 0.741 . . . . 0.0 112.751 177.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.3 mt -63.38 -45.88 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.411 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 175.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.6 -46.17 76.79 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 124.181 0.992 . . . . 0.0 112.672 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.28 -44.55 59.01 Favored 'General case' 0 C--N 1.381 1.961 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -176.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.689 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 66.0 mt -85.64 -45.71 11.45 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -175.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -64.99 -37.12 86.62 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 123.696 0.622 . . . . 0.0 112.491 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -76.94 -42.33 39.7 Favored 'General case' 0 CA--C 1.597 2.773 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -73.92 -31.58 63.14 Favored 'General case' 0 C--N 1.403 2.9 0 CA-C-N 118.411 0.551 . . . . 0.0 109.981 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 86' ' ' LEU . . . -76.68 -23.48 53.19 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 125.417 1.487 . . . . 0.0 110.921 175.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.33 80.04 Favored 'General case' 0 C--N 1.416 3.499 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -176.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -80.38 -26.76 38.4 Favored 'General case' 0 N--CA 1.508 2.468 0 C-N-CA 124.376 1.07 . . . . 0.0 111.622 175.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.49 65.19 Favored 'General case' 0 CA--C 1.57 1.738 0 C-N-CA 124.599 1.16 . . . . 0.0 112.884 173.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.6 p -59.31 -11.61 4.41 Favored 'General case' 2 C--N 1.431 4.139 0 C-N-CA 125.613 1.565 . . . . 0.0 114.907 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.793 0 C-N-CA 127.233 2.213 . . . . 0.0 115.751 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 . . . . . 0 CA--C 1.573 1.83 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.58 -39.97 94.69 Favored 'General case' 0 N--CA 1.526 3.347 0 C-N-CA 124.694 1.197 . . . . 0.0 112.558 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -68.76 -33.87 74.62 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.405 1.882 . . . . 0.0 111.316 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.77 78.84 Favored 'General case' 0 C--N 1.383 2.038 0 C-N-CA 125.006 1.322 . . . . 0.0 110.909 173.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.695 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 5.1 mpt_? -72.49 -45.28 60.18 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 123.549 0.74 . . . . 0.0 110.54 175.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mp -60.42 -62.68 1.69 Allowed 'General case' 0 CA--C 1.592 2.585 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.79 -47.55 9.61 Favored 'General case' 0 C--N 1.383 2.037 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -175.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -71.95 -34.45 69.01 Favored 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.695 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 3.7 m-85 -69.83 -41.05 75.46 Favored 'General case' 0 C--N 1.395 2.552 0 CA-C-N 118.832 0.742 . . . . 0.0 111.847 178.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -68.55 -38.19 80.59 Favored 'General case' 0 C--N 1.394 2.507 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -64.15 -42.91 96.6 Favored 'General case' 0 N--CA 1.521 3.093 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -69.65 -37.39 76.72 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 124.419 1.088 . . . . 0.0 112.678 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -70.23 -34.38 72.8 Favored 'General case' 0 C--N 1.378 1.831 0 C-N-CA 124.891 1.277 . . . . 0.0 112.456 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -63.72 -41.75 98.02 Favored 'General case' 0 N--CA 1.51 2.532 0 C-N-CA 125.567 1.547 . . . . 0.0 114.376 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -72.93 -39.63 66.09 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.08 -32.66 72.32 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 123.588 0.555 . . . . 0.0 110.158 174.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -34.3 74.01 Favored 'General case' 0 C--N 1.382 1.994 0 C-N-CA 125.344 1.458 . . . . 0.0 112.316 175.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.35 85.35 Favored 'General case' 0 C--N 1.401 2.811 0 C-N-CA 124.948 1.299 . . . . 0.0 112.597 -178.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.5 mtt -65.87 -38.14 88.03 Favored 'General case' 0 C--N 1.391 2.382 0 O-C-N 124.892 1.37 . . . . 0.0 111.241 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -68.64 -38.29 80.37 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 125.378 1.471 . . . . 0.0 111.157 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -72.1 -42.33 66.26 Favored 'General case' 0 C--N 1.392 2.443 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.9 -41.96 70.57 Favored 'General case' 0 N--CA 1.512 2.642 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.9 -38.06 82.51 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 124.743 1.217 . . . . 0.0 113.058 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.721 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 2.1 tt0 -75.77 -26.21 57.16 Favored 'General case' 0 C--N 1.383 2.063 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -72.07 -52.75 15.37 Favored 'General case' 0 C--O 1.275 2.399 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -178.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.09 -39.34 75.62 Favored 'General case' 0 C--N 1.391 2.38 0 CA-C-N 113.769 -1.559 . . . . 0.0 113.98 -175.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -88.78 -11.49 44.76 Favored 'General case' 0 CA--C 1.583 2.222 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 130' ' ' GLU . . . -65.65 -37.16 85.74 Favored 'General case' 0 N--CA 1.525 3.308 0 C-N-CA 124.427 1.091 . . . . 0.0 112.185 177.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -73.36 -11.4 60.47 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 125.59 1.556 . . . . 0.0 111.855 177.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -97.61 -21.49 17.02 Favored 'General case' 0 CA--C 1.584 2.287 0 C-N-CA 126.204 1.802 . . . . 0.0 108.878 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 65.29 38.72 5.71 Favored 'General case' 0 N--CA 1.534 3.732 0 C-N-CA 127.994 2.518 . . . . 0.0 111.857 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.561 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -83.54 129.19 60.98 Favored Pre-proline 0 CA--C 1.57 1.713 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.026 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.54 -8.45 8.99 Favored 'Trans proline' 1 C--N 1.426 4.64 0 C-N-CA 124.238 3.292 . . . . 0.0 112.873 171.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.546 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.4 OUTLIER -68.26 -15.21 63.48 Favored 'General case' 0 CA--C 1.576 1.96 0 C-N-CA 124.437 1.095 . . . . 0.0 113.069 178.414 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 138' ' ' ASP . 0.1 OUTLIER -75.05 -36.99 61.81 Favored 'General case' 0 N--CA 1.514 2.747 0 C-N-CA 123.932 0.893 . . . . 0.0 109.293 177.69 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.2 -37.13 69.32 Favored 'General case' 0 C--N 1.37 1.46 0 CA-C-N 114.268 -1.333 . . . . 0.0 111.62 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -71.56 -38.64 70.96 Favored 'General case' 0 CA--C 1.58 2.122 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 17.3 mt-10 -79.47 -45.97 18.37 Favored 'General case' 0 N--CA 1.509 2.482 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -176.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 149' ' ' ASP . 1.7 mp -67.83 -45.89 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 C-N-CA 126.504 1.921 . . . . 0.0 112.358 -178.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 93.5 m -61.75 -38.99 90.02 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 125.101 1.501 . . . . 0.0 110.723 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.94 97.04 Favored 'General case' 0 C--N 1.391 2.412 0 C-N-CA 123.868 0.867 . . . . 0.0 112.239 176.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.35 -29.65 59.98 Favored 'General case' 0 C--N 1.382 1.987 0 C-N-CA 124.987 1.315 . . . . 0.0 111.931 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 0.3 OUTLIER -70.89 -33.29 70.44 Favored 'General case' 0 C--N 1.389 2.323 0 C-N-CA 126.234 1.814 . . . . 0.0 112.314 179.517 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -76.13 -33.94 59.44 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 124.166 0.986 . . . . 0.0 108.945 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -71.56 -35.14 70.51 Favored 'General case' 0 C--N 1.389 2.307 0 C-N-CA 125.609 1.563 . . . . 0.0 112.48 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.75 -41.65 99.3 Favored 'General case' 0 C--N 1.38 1.904 0 C-N-CA 124.553 1.141 . . . . 0.0 109.95 174.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.5 p -77.15 -39.34 49.47 Favored 'General case' 0 CA--C 1.571 1.786 0 C-N-CA 123.951 0.9 . . . . 0.0 113.288 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -72.29 -33.68 67.61 Favored 'General case' 0 N--CA 1.516 2.837 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 89.2 m -72.4 -39.72 67.74 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 123.162 0.585 . . . . 0.0 110.537 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -60.88 -37.86 83.63 Favored 'General case' 0 C--N 1.394 2.502 0 C-N-CA 125.07 1.348 . . . . 0.0 112.757 177.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.1 m -71.88 -41.98 67.38 Favored 'General case' 0 CA--C 1.58 2.097 0 C-N-CA 125.061 1.345 . . . . 0.0 111.479 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.7 -39.22 84.4 Favored 'General case' 0 C--N 1.382 1.978 0 C-N-CA 125.898 1.679 . . . . 0.0 113.323 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 36.9 mt -68.32 -39.4 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.105 0 C-N-CA 126.033 1.733 . . . . 0.0 109.98 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.45 93.42 Favored 'General case' 0 C--N 1.39 2.365 0 C-N-CA 124.838 1.255 . . . . 0.0 113.479 176.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.79 -39.34 87.76 Favored 'General case' 0 N--CA 1.511 2.61 0 C-N-CA 125.299 1.44 . . . . 0.0 113.224 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 20.6 p -70.73 -31.63 68.54 Favored 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 124.248 1.019 . . . . 0.0 112.516 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.48 -34.3 72.22 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 125.33 1.452 . . . . 0.0 111.97 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.18 -36.04 80.93 Favored 'General case' 0 N--CA 1.51 2.567 0 C-N-CA 125.395 1.478 . . . . 0.0 112.247 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -68.91 -34.15 74.92 Favored 'General case' 0 C--N 1.376 1.734 0 C-N-CA 124.708 1.203 . . . . 0.0 110.726 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.1 mt -72.25 -31.44 65.81 Favored 'General case' 0 N--CA 1.507 2.419 0 C-N-CA 125.548 1.539 . . . . 0.0 112.08 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.74 -34.46 76.87 Favored 'General case' 0 N--CA 1.508 2.461 0 C-N-CA 126.354 1.861 . . . . 0.0 112.594 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? . . . . . 0 C--N 1.381 1.962 0 C-N-CA 127.654 2.382 . . . . 0.0 114.058 -179.83 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo . . . . . 0 CA--C 1.591 3.33 0 N-CA-C 117.726 2.164 . . . . 0.0 117.726 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -82.82 -33.62 27.15 Favored 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 123.822 0.849 . . . . 0.0 112.242 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.67 -35.8 52.0 Favored 'General case' 0 C--N 1.373 1.629 0 C-N-CA 125.138 1.375 . . . . 0.0 112.455 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -30.76 65.73 Favored 'General case' 0 C--N 1.381 1.966 0 C-N-CA 124.278 1.031 . . . . 0.0 110.447 178.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -67.63 -39.53 84.65 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 124.802 1.313 . . . . 0.0 111.766 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.0 m -71.39 -41.61 69.42 Favored 'General case' 0 C--N 1.386 2.153 0 C-N-CA 124.252 1.021 . . . . 0.0 110.757 176.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -44.58 83.54 Favored 'General case' 0 C--N 1.389 2.286 0 O-C-N 124.359 1.037 . . . . 0.0 112.29 173.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -65.91 -39.21 90.36 Favored 'General case' 0 C--N 1.399 2.727 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.519 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 7.4 m -69.48 -38.35 77.65 Favored 'General case' 0 C--N 1.376 1.742 0 CA-C-O 117.617 -1.182 . . . . 0.0 110.424 178.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -63.04 -29.16 70.61 Favored 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 124.039 0.936 . . . . 0.0 111.916 175.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.75 -46.05 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 C-N-CA 125.553 1.541 . . . . 0.0 111.207 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.46 -30.28 68.15 Favored 'General case' 0 N--CA 1.506 2.365 0 C-N-CA 123.379 0.672 . . . . 0.0 111.53 176.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 12' ' ' THR . . . -66.32 -39.76 89.49 Favored 'General case' 0 N--CA 1.51 2.548 0 C-N-CA 126.187 1.795 . . . . 0.0 110.574 171.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -34.46 68.11 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 124.522 1.129 . . . . 0.0 110.773 177.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -60.51 -43.55 96.95 Favored 'General case' 0 N--CA 1.503 2.191 0 C-N-CA 127.125 2.17 . . . . 0.0 111.856 178.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -78.14 -15.22 59.05 Favored 'General case' 0 N--CA 1.503 2.183 0 C-N-CA 125.124 1.37 . . . . 0.0 114.098 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -97.76 -16.42 19.88 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 125.433 1.493 . . . . 0.0 108.961 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.0 16.89 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.784 0 C-N-CA 125.977 1.711 . . . . 0.0 111.592 176.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.73 -76.58 0.29 Allowed Glycine 0 N--CA 1.497 2.719 0 CA-C-O 117.201 -1.888 . . . . 0.0 114.042 -173.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.03 -4.22 13.77 Favored 'Trans proline' 1 C--N 1.42 4.317 0 CA-C-N 121.481 2.64 . . . . 0.0 115.263 175.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mp -87.81 -6.39 58.16 Favored 'General case' 0 CA--C 1.577 1.992 0 C-N-CA 126.711 2.005 . . . . 0.0 112.605 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.79 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 178.025 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.948 0 CA-C-O 121.97 0.891 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -86.02 1.76 49.01 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-N 113.611 -1.631 . . . . 0.0 113.391 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -80.3 -24.59 39.88 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.594 1.158 . . . . 0.0 111.69 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -90.86 -4.19 56.77 Favored 'General case' 0 C--N 1.384 2.092 0 C-N-CA 124.858 1.263 . . . . 0.0 112.172 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -121.88 156.08 34.06 Favored 'General case' 0 C--N 1.377 1.765 0 C-N-CA 124.296 1.038 . . . . 0.0 113.268 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.4 113.59 19.01 Favored 'General case' 0 C--N 1.373 1.62 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.1 p -137.97 144.17 41.04 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.604 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -87.94 49.75 1.86 Allowed 'General case' 0 N--CA 1.508 2.46 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.75 -69.11 0.49 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 118.814 2.285 . . . . 0.0 118.814 169.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -176.08 60.5 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 119.25 1.525 . . . . 0.0 109.739 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -138.76 138.04 37.26 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 mp -68.32 -31.1 70.28 Favored 'General case' 0 N--CA 1.527 3.419 0 C-N-CA 124.257 1.023 . . . . 0.0 108.347 171.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.34 -35.02 87.36 Favored Glycine 0 C--N 1.383 3.168 0 C-N-CA 125.409 1.481 . . . . 0.0 113.866 176.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.29 -23.11 43.78 Favored 'General case' 0 C--N 1.392 2.438 0 C-N-CA 122.941 0.497 . . . . 0.0 112.243 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -81.52 -30.51 33.17 Favored 'General case' 0 C--N 1.384 2.091 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -75.66 -40.72 55.6 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 124.706 1.202 . . . . 0.0 112.463 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.79 -31.86 68.77 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 125.824 1.65 . . . . 0.0 112.87 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -80.5 -27.92 37.62 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 123.342 0.657 . . . . 0.0 109.833 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.11 -39.02 66.12 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 113.777 -1.556 . . . . 0.0 111.56 176.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -65.97 -40.3 91.13 Favored 'General case' 0 N--CA 1.509 2.477 0 C-N-CA 124.914 1.286 . . . . 0.0 111.372 175.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.12 -27.23 60.77 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 126.929 2.092 . . . . 0.0 113.668 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -30.16 41.7 Favored 'General case' 0 C--N 1.381 1.975 0 C-N-CA 123.365 0.666 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tp -71.23 -40.02 71.33 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 124.804 1.242 . . . . 0.0 110.49 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.5 p -70.96 -32.84 69.82 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 125.581 1.552 . . . . 0.0 113.992 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -75.91 -35.0 59.94 Favored 'General case' 0 N--CA 1.514 2.772 0 CA-C-N 119.306 0.957 . . . . 0.0 113.049 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.7 mt -67.31 -34.58 77.66 Favored 'General case' 0 N--CA 1.511 2.624 0 C-N-CA 125.108 1.363 . . . . 0.0 111.048 176.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -62.56 -34.75 77.57 Favored 'General case' 0 C--N 1.383 2.041 0 C-N-CA 126.893 2.077 . . . . 0.0 112.074 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.09 -40.02 90.45 Favored 'General case' 0 C--N 1.393 2.478 0 C-N-CA 123.954 0.901 . . . . 0.0 112.135 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.85 -27.87 69.46 Favored 'General case' 0 C--N 1.395 2.556 0 C-N-CA 124.731 1.213 . . . . 0.0 113.249 173.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -65.79 -39.14 83.94 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.953 0 C-N-CA 125.598 1.559 . . . . 0.0 108.954 175.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -68.03 -16.52 64.07 Favored 'General case' 0 N--CA 1.506 2.365 0 C-N-CA 126.111 1.764 . . . . 0.0 111.731 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -78.28 -39.96 38.43 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 171.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.17 27.36 4.54 Favored Glycine 0 C--N 1.38 3.017 0 N-CA-C 116.09 1.196 . . . . 0.0 116.09 170.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.74 113.9 23.85 Favored 'General case' 0 C--N 1.377 1.78 0 CA-C-N 118.22 1.01 . . . . 0.0 110.259 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.51 -29.36 65.84 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 112.758 -2.019 . . . . 0.0 112.863 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.2 m -70.61 -37.48 73.84 Favored 'General case' 0 CA--C 1.574 1.89 0 C-N-CA 124.816 1.246 . . . . 0.0 110.569 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -74.58 -20.98 59.72 Favored 'General case' 0 N--CA 1.507 2.409 0 C-N-CA 124.31 1.044 . . . . 0.0 111.876 178.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.5 t -77.42 -50.93 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 125.546 1.538 . . . . 0.0 109.869 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.42 82.16 Favored 'General case' 0 C--N 1.393 2.465 0 C-N-CA 127.545 2.338 . . . . 0.0 112.985 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.46 -42.31 99.38 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 125.564 1.546 . . . . 0.0 109.246 172.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.49 -31.68 63.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 124.424 1.077 . . . . 0.0 112.034 176.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.71 95.66 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 124.603 1.161 . . . . 0.0 111.687 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -71.6 -36.83 70.96 Favored 'General case' 0 N--CA 1.518 2.943 0 C-N-CA 126.308 1.843 . . . . 0.0 111.095 176.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -71.22 -29.31 64.97 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 125.721 1.608 . . . . 0.0 110.359 173.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -43.09 66.33 Favored 'General case' 0 C--N 1.377 1.795 0 C-N-CA 124.123 0.969 . . . . 0.0 111.606 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.51 -39.83 81.09 Favored 'General case' 0 C--N 1.389 2.299 0 C-N-CA 125.328 1.451 . . . . 0.0 112.216 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.48 83.53 Favored 'General case' 0 C--N 1.39 2.327 0 C-N-CA 126.006 1.722 . . . . 0.0 111.639 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -73.74 -27.02 60.96 Favored 'General case' 0 C--N 1.377 1.78 0 C-N-CA 124.234 1.014 . . . . 0.0 112.285 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 34.8 mt -63.1 -45.59 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.398 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.43 -44.4 83.01 Favored 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 124.872 1.269 . . . . 0.0 112.196 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.42 -44.96 57.21 Favored 'General case' 0 C--N 1.379 1.864 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.728 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 91.1 mt -85.18 -45.45 12.02 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -175.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 28.8 mt-30 -64.75 -36.52 84.58 Favored 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 118.816 0.734 . . . . 0.0 112.38 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -78.41 -39.93 37.43 Favored 'General case' 0 CA--C 1.589 2.466 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -76.92 -29.25 55.6 Favored 'General case' 0 N--CA 1.514 2.75 0 CA-C-N 119.548 1.067 . . . . 0.0 109.686 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -78.18 -22.92 47.93 Favored 'General case' 0 C--N 1.387 2.202 0 C-N-CA 125.614 1.566 . . . . 0.0 110.432 174.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -64.03 -42.34 97.12 Favored 'General case' 0 C--N 1.415 3.414 0 C-N-CA 122.99 0.516 . . . . 0.0 112.356 -178.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.8 p -75.93 -28.89 58.15 Favored 'General case' 0 C--N 1.395 2.575 0 C-N-CA 124.436 1.094 . . . . 0.0 111.175 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.0 -36.06 72.11 Favored 'General case' 0 N--CA 1.512 2.647 0 C-N-CA 124.612 1.165 . . . . 0.0 113.637 174.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.8 p -75.9 -9.73 58.84 Favored 'General case' 0 N--CA 1.525 3.309 0 C-N-CA 124.266 1.026 . . . . 0.0 112.175 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.1 tt . . . . . 0 N--CA 1.486 1.342 0 C-N-CA 127.474 2.309 . . . . 0.0 108.532 176.203 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? . . . . . 0 CA--C 1.561 1.403 0 CA-C-O 121.068 0.461 . . . . 0.0 112.134 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.8 mt -71.14 -41.49 70.38 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 124.18 0.992 . . . . 0.0 110.192 177.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -66.16 -41.72 89.98 Favored 'General case' 0 C--N 1.373 1.607 0 C-N-CA 127.982 2.513 . . . . 0.0 110.77 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.11 -35.5 78.25 Favored 'General case' 0 C--N 1.382 2.019 0 C-N-CA 125.009 1.324 . . . . 0.0 112.431 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -72.16 -48.28 44.54 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 123.479 0.712 . . . . 0.0 111.42 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.2 mp -64.53 -58.86 5.21 Favored 'General case' 0 CA--C 1.588 2.421 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.28 -43.82 63.69 Favored 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 117.264 2.32 . . . . 0.0 117.264 -177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.84 -38.23 73.2 Favored 'General case' 0 N--CA 1.512 2.629 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -68.69 -39.43 80.56 Favored 'General case' 0 C--N 1.387 2.205 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.96 -42.67 84.78 Favored 'General case' 0 N--CA 1.506 2.36 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -71.71 -43.07 66.57 Favored 'General case' 0 N--CA 1.519 3.001 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -69.17 -36.95 77.92 Favored 'General case' 0 N--CA 1.506 2.368 0 C-N-CA 124.302 1.041 . . . . 0.0 113.687 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.64 -35.35 75.15 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.52 1.128 . . . . 0.0 112.648 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -62.96 -43.77 97.89 Favored 'General case' 0 N--CA 1.513 2.721 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -72.91 -39.96 65.9 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.62 -32.81 70.76 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 123.454 0.471 . . . . 0.0 110.565 173.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.9 mt -70.95 -33.01 70.06 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 124.557 1.143 . . . . 0.0 113.075 176.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.4 -38.92 91.39 Favored 'General case' 0 C--N 1.406 3.054 0 C-N-CA 125.591 1.557 . . . . 0.0 111.825 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 62.3 mtt -63.77 -39.63 94.72 Favored 'General case' 0 C--N 1.39 2.357 0 O-C-N 125.077 1.486 . . . . 0.0 110.422 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.21 -39.35 86.29 Favored 'General case' 0 C--N 1.39 2.341 0 C-N-CA 124.772 1.229 . . . . 0.0 110.553 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -66.69 -40.69 88.61 Favored 'General case' 0 N--CA 1.517 2.914 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.33 -40.09 85.87 Favored 'General case' 0 N--CA 1.51 2.574 0 C-N-CA 124.057 0.943 . . . . 0.0 111.811 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -71.31 -29.48 65.08 Favored 'General case' 0 C--N 1.384 2.101 0 C-N-CA 124.501 1.12 . . . . 0.0 111.909 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.531 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 21.2 mt-10 -63.54 -44.93 92.79 Favored 'General case' 0 N--CA 1.507 2.411 0 C-N-CA 125.484 1.514 . . . . 0.0 113.711 177.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -74.18 -44.46 53.37 Favored 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.89 -39.88 72.54 Favored 'General case' 0 C--N 1.389 2.315 0 CA-C-N 114.258 -1.337 . . . . 0.0 114.574 -173.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -90.29 -12.08 38.89 Favored 'General case' 0 CA--C 1.582 2.176 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 130' ' ' GLU . . . -63.98 -39.76 94.87 Favored 'General case' 0 N--CA 1.52 3.052 0 C-N-CA 125.891 1.676 . . . . 0.0 113.646 175.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -83.05 -15.42 51.05 Favored 'General case' 0 N--CA 1.511 2.585 0 C-N-CA 126.402 1.881 . . . . 0.0 114.141 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -93.66 -17.35 23.34 Favored 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 125.75 1.62 . . . . 0.0 110.133 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.6 t60 61.84 82.71 0.17 Allowed 'General case' 0 C--N 1.397 2.634 0 C-N-CA 126.29 1.836 . . . . 0.0 107.107 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.17 120.35 28.29 Favored Pre-proline 0 CA--C 1.556 1.188 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -172.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.63 -10.53 29.07 Favored 'Trans proline' 1 C--N 1.426 4.644 0 C-N-CA 123.219 2.612 . . . . 0.0 110.941 167.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -62.68 -31.29 72.16 Favored 'General case' 0 C--N 1.392 2.442 0 C-N-CA 124.482 1.113 . . . . 0.0 111.282 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.55 -38.72 78.42 Favored 'General case' 0 N--CA 1.526 3.369 0 C-N-CA 126.22 1.808 . . . . 0.0 112.329 176.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.55 -39.65 67.3 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 113.093 -1.867 . . . . 0.0 110.765 -176.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -72.76 -39.93 66.42 Favored 'General case' 0 CA--C 1.581 2.141 0 C-N-CA 123.671 0.788 . . . . 0.0 112.924 175.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -77.94 -47.09 19.41 Favored 'General case' 0 N--CA 1.513 2.683 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 50.1 mt -69.43 -39.33 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.695 0 C-N-CA 124.855 1.262 . . . . 0.0 110.252 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 99.6 m -63.45 -39.59 94.89 Favored 'General case' 0 N--CA 1.508 2.464 0 C-N-CA 124.21 1.004 . . . . 0.0 110.675 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.57 95.77 Favored 'General case' 0 N--CA 1.51 2.54 0 C-N-CA 124.619 1.167 . . . . 0.0 112.62 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.93 -26.41 56.87 Favored 'General case' 0 C--N 1.38 1.905 0 C-N-CA 124.673 1.189 . . . . 0.0 111.7 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -32.81 73.78 Favored 'General case' 0 C--N 1.39 2.331 0 C-N-CA 126.431 1.892 . . . . 0.0 111.512 177.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -76.59 -35.87 57.87 Favored 'General case' 0 C--N 1.393 2.465 0 C-N-CA 124.771 1.229 . . . . 0.0 109.322 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -71.68 -32.8 68.25 Favored 'General case' 0 C--N 1.387 2.231 0 C-N-CA 125.433 1.493 . . . . 0.0 112.703 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -39.3 90.35 Favored 'General case' 0 C--N 1.383 2.053 0 C-N-CA 124.782 1.233 . . . . 0.0 109.554 174.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.6 p -77.3 -36.73 53.88 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 123.619 0.767 . . . . 0.0 112.833 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -73.99 -30.35 62.43 Favored 'General case' 0 N--CA 1.518 2.957 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.32 -37.93 68.8 Favored 'General case' 0 C--N 1.386 2.18 0 C-N-CA 123.931 0.893 . . . . 0.0 108.91 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -60.26 -39.34 86.44 Favored 'General case' 0 C--N 1.389 2.323 0 C-N-CA 125.926 1.691 . . . . 0.0 113.949 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 33.0 m -64.36 -39.22 93.46 Favored 'General case' 0 C--N 1.384 2.091 0 C-N-CA 126.056 1.742 . . . . 0.0 109.551 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.23 -37.87 78.24 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 125.651 1.58 . . . . 0.0 111.924 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 39.2 mt -69.26 -45.25 79.64 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.983 0 C-N-CA 125.945 1.698 . . . . 0.0 109.788 175.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.99 94.01 Favored 'General case' 0 C--N 1.394 2.523 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 176.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.05 -38.52 82.56 Favored 'General case' 0 N--CA 1.516 2.837 0 C-N-CA 124.804 1.242 . . . . 0.0 113.723 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.2 p -70.61 -31.38 68.34 Favored 'General case' 0 N--CA 1.512 2.644 0 C-N-CA 124.373 1.069 . . . . 0.0 112.353 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.29 -35.82 76.42 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 125.224 1.41 . . . . 0.0 111.771 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.25 -35.37 79.39 Favored 'General case' 0 N--CA 1.513 2.696 0 C-N-CA 125.462 1.505 . . . . 0.0 112.629 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.03 -32.21 71.57 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 124.856 1.262 . . . . 0.0 111.002 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.4 mt -76.89 -27.51 55.02 Favored 'General case' 0 C--N 1.382 1.99 0 C-N-CA 125.777 1.631 . . . . 0.0 111.961 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -70.42 -44.1 68.61 Favored 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 116.445 2.017 . . . . 0.0 116.445 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 C--N 1.386 2.172 0 CA-C-N 118.832 0.742 . . . . 0.0 112.276 -175.33 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mtt . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.076 0.465 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -115.85 127.79 55.3 Favored 'General case' 0 N--CA 1.498 1.964 0 C-N-CA 124.034 0.933 . . . . 0.0 111.148 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p -125.78 128.52 24.56 Favored Pre-proline 0 N--CA 1.498 1.953 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.37 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -64.81 117.01 4.14 Favored 'Trans proline' 1 C--N 1.436 5.158 0 C-N-CA 123.019 2.479 . . . . 0.0 114.367 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.0 -46.65 5.53 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 123.361 0.664 . . . . 0.0 112.184 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.0 -36.65 56.25 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 125.027 1.331 . . . . 0.0 112.432 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.27 -32.44 70.26 Favored 'General case' 0 C--N 1.378 1.836 0 C-N-CA 124.405 1.082 . . . . 0.0 111.179 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -69.0 -37.43 78.7 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 124.511 1.132 . . . . 0.0 111.507 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -72.23 -40.91 67.4 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 124.286 1.034 . . . . 0.0 110.949 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mt -58.76 -43.69 90.41 Favored 'General case' 0 C--N 1.388 2.282 0 O-C-N 124.294 0.997 . . . . 0.0 112.346 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -65.67 -39.55 91.44 Favored 'General case' 0 C--N 1.4 2.775 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.475 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.6 m -69.77 -37.29 76.34 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.991 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -61.98 -32.1 72.53 Favored 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 124.462 1.105 . . . . 0.0 111.769 175.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.4 t -75.31 -46.06 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 C-N-CA 125.336 1.455 . . . . 0.0 110.994 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.05 69.43 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 123.564 0.746 . . . . 0.0 111.54 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 12' ' ' THR . . . -65.17 -39.62 93.19 Favored 'General case' 0 N--CA 1.514 2.733 0 C-N-CA 125.715 1.606 . . . . 0.0 110.998 171.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 mt -72.42 -37.21 68.68 Favored 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 124.336 1.055 . . . . 0.0 110.9 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -60.43 -40.64 91.79 Favored 'General case' 0 N--CA 1.5 2.071 0 C-N-CA 126.922 2.089 . . . . 0.0 112.232 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.18 -29.13 63.7 Favored 'General case' 0 N--CA 1.507 2.419 0 C-N-CA 123.455 0.702 . . . . 0.0 112.786 177.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mp -81.12 -18.32 46.85 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 125.897 1.679 . . . . 0.0 112.446 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.417 HG22 ' O ' ' A' ' 21' ' ' ILE . 42.0 mt -114.74 15.24 8.07 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.476 0 C-N-CA 128.169 2.588 . . . . 0.0 107.818 177.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.0 -98.56 0.45 Allowed Glycine 0 C--N 1.361 1.925 0 CA-C-O 116.537 -2.257 . . . . 0.0 114.834 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -50.6 -14.24 1.09 Allowed 'Trans proline' 1 C--N 1.424 4.541 0 C-N-CA 124.434 3.423 . . . . 0.0 117.486 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mp -70.04 -37.52 75.6 Favored 'General case' 0 C--N 1.383 2.044 0 C-N-CA 124.755 1.222 . . . . 0.0 113.189 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.66 -11.3 59.87 Favored 'General case' 0 C--N 1.393 2.475 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -80.71 -25.46 38.1 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 118.452 0.569 . . . . 0.0 111.156 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -114.26 -173.92 2.38 Favored 'General case' 0 N--CA 1.499 2.01 0 C-N-CA 126.181 1.793 . . . . 0.0 110.233 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -91.97 92.17 8.19 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 121.879 0.847 . . . . 0.0 111.548 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -129.61 155.86 45.14 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 114.251 -1.34 . . . . 0.0 111.851 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -97.67 97.87 9.39 Favored 'General case' 0 CA--C 1.58 2.122 0 C-N-CA 124.548 1.139 . . . . 0.0 111.464 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.1 m -114.17 105.23 54.35 Favored Pre-proline 0 C--N 1.383 2.043 0 CA-C-N 119.823 1.192 . . . . 0.0 111.968 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -82.12 -5.03 12.02 Favored 'Trans proline' 1 C--N 1.425 4.593 0 C-N-CA 123.489 2.792 . . . . 0.0 117.002 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -98.54 24.19 7.72 Favored 'General case' 0 N--CA 1.503 2.216 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -74.49 111.33 9.56 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.59 92.14 6.92 Favored 'General case' 0 C--N 1.372 1.585 0 CA-C-N 120.005 1.275 . . . . 0.0 110.379 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -83.8 -2.46 56.39 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 112.94 -1.937 . . . . 0.0 113.788 -177.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -80.09 -30.97 39.31 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.587 0.755 . . . . 0.0 110.641 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -101.88 -2.26 30.29 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 123.992 0.917 . . . . 0.0 112.46 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.31 151.83 36.94 Favored 'General case' 0 C--N 1.382 1.997 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.49 106.7 10.38 Favored 'General case' 0 C--N 1.381 1.971 0 N-CA-C 106.301 -1.741 . . . . 0.0 106.301 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.486 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 0.1 OUTLIER 166.56 175.65 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 127.013 2.125 . . . . 0.0 108.296 -178.539 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -85.91 -41.17 15.17 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.41 81.27 0.09 OUTLIER Glycine 0 N--CA 1.509 3.56 0 N-CA-C 119.323 2.489 . . . . 0.0 119.323 172.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.35 17.84 1.53 Allowed 'General case' 0 C--N 1.372 1.544 0 CA-C-N 119.725 1.763 . . . . 0.0 106.774 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 75.5 ttt180 -157.37 153.84 27.95 Favored 'General case' 0 C--N 1.387 2.199 0 C-N-CA 126.365 1.866 . . . . 0.0 110.799 -174.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.18 -21.92 64.85 Favored 'General case' 0 N--CA 1.524 3.229 0 C-N-CA 123.894 0.878 . . . . 0.0 110.924 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.524 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -60.24 -40.44 97.35 Favored Glycine 0 C--N 1.382 3.116 0 N-CA-C 115.947 1.139 . . . . 0.0 115.947 -178.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.486 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 17.9 m-20 -77.83 -27.82 50.07 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 123.605 0.762 . . . . 0.0 112.962 -176.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -83.38 -28.1 29.16 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 114.718 -1.128 . . . . 0.0 110.231 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.6 mt -74.14 -36.45 64.13 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 124.962 1.305 . . . . 0.0 111.832 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -30.27 66.8 Favored 'General case' 0 C--N 1.371 1.543 0 C-N-CA 125.732 1.613 . . . . 0.0 111.322 176.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -81.61 -31.59 32.41 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 123.432 0.693 . . . . 0.0 109.796 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.36 -38.45 65.71 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 113.787 -1.551 . . . . 0.0 111.952 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -39.03 82.31 Favored 'General case' 0 CA--C 1.573 1.857 0 C-N-CA 124.447 1.099 . . . . 0.0 109.918 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.75 -27.17 61.87 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.903 1.681 . . . . 0.0 113.562 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.91 -31.66 40.18 Favored 'General case' 0 C--N 1.382 2.006 0 C-N-CA 123.946 0.898 . . . . 0.0 110.186 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.4 tp -71.35 -41.25 70.01 Favored 'General case' 0 C--N 1.382 2.002 0 C-N-CA 125.076 1.35 . . . . 0.0 110.065 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.4 p -71.95 -29.55 64.38 Favored 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 125.717 1.607 . . . . 0.0 113.593 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -76.87 -37.72 55.01 Favored 'General case' 0 N--CA 1.508 2.434 0 C-N-CA 123.603 0.761 . . . . 0.0 112.722 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.81 -31.96 68.88 Favored 'General case' 0 C--N 1.389 2.319 0 C-N-CA 124.753 1.221 . . . . 0.0 111.193 177.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -33.92 76.91 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 126.745 2.018 . . . . 0.0 111.785 176.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.35 -39.63 89.31 Favored 'General case' 0 C--N 1.393 2.49 0 O-C-N 124.025 0.828 . . . . 0.0 111.385 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.9 -28.01 68.62 Favored 'General case' 0 C--N 1.393 2.493 0 C-N-CA 125.093 1.357 . . . . 0.0 113.013 173.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.94 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.382 1.994 0 C-N-CA 125.564 1.546 . . . . 0.0 108.31 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -68.36 -13.47 62.3 Favored 'General case' 0 N--CA 1.507 2.385 0 C-N-CA 126.417 1.887 . . . . 0.0 112.308 174.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -81.12 -38.82 26.61 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 171.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.81 31.11 2.59 Favored Glycine 0 C--N 1.378 2.889 0 N-CA-C 116.355 1.302 . . . . 0.0 116.355 171.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.3 111.58 23.33 Favored 'General case' 0 C--N 1.376 1.719 0 CA-C-O 121.779 0.8 . . . . 0.0 109.562 178.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.68 -24.96 61.92 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.496 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.5 m -71.26 -37.67 71.91 Favored 'General case' 0 CA--C 1.571 1.77 0 C-N-CA 125.136 1.374 . . . . 0.0 110.4 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.71 -22.25 58.94 Favored 'General case' 0 C--N 1.391 2.381 0 C-N-CA 124.456 1.102 . . . . 0.0 111.998 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.3 t -75.81 -49.4 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 C-N-CA 126.215 1.806 . . . . 0.0 109.663 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.38 81.31 Favored 'General case' 0 C--N 1.384 2.097 0 C-N-CA 127.194 2.197 . . . . 0.0 112.718 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -64.14 -42.61 96.72 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 125.892 1.677 . . . . 0.0 109.924 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.44 -33.53 67.13 Favored 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 124.665 1.186 . . . . 0.0 110.711 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.04 94.61 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 124.489 1.116 . . . . 0.0 111.84 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.03 -38.08 72.58 Favored 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 126.202 1.801 . . . . 0.0 111.231 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.36 -29.45 64.98 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 125.366 1.466 . . . . 0.0 110.556 174.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.61 -42.14 64.81 Favored 'General case' 0 C--N 1.374 1.673 0 C-N-CA 123.942 0.897 . . . . 0.0 112.104 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.76 -40.17 79.9 Favored 'General case' 0 C--N 1.39 2.327 0 C-N-CA 125.205 1.402 . . . . 0.0 112.657 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.05 -37.94 84.94 Favored 'General case' 0 C--N 1.389 2.288 0 C-N-CA 126.085 1.754 . . . . 0.0 112.062 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -73.35 -27.29 61.42 Favored 'General case' 0 C--N 1.376 1.746 0 C-N-CA 124.229 1.011 . . . . 0.0 112.31 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.43 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 26.5 mt -61.9 -46.17 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.454 0 C-N-CA 123.167 0.587 . . . . 0.0 109.88 174.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.5 mt-10 -66.56 -43.57 84.65 Favored 'General case' 0 N--CA 1.503 2.215 0 C-N-CA 124.884 1.274 . . . . 0.0 112.032 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.29 -44.48 59.11 Favored 'General case' 0 C--N 1.377 1.778 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.49 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 5.5 mp -85.93 -44.71 12.16 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 115.786 1.772 . . . . 0.0 115.786 -175.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 45.0 mt-30 -66.13 -39.07 89.6 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 123.905 0.753 . . . . 0.0 112.407 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.6 mtt180 -78.72 -39.57 36.04 Favored 'General case' 0 C--N 1.388 2.269 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.73 -31.71 65.17 Favored 'General case' 0 N--CA 1.513 2.709 0 CA-C-N 119.467 1.03 . . . . 0.0 110.511 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 86' ' ' LEU . . . -74.17 -29.14 61.63 Favored 'General case' 0 C--N 1.388 2.255 0 C-N-CA 124.271 1.029 . . . . 0.0 109.926 174.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -70.34 -35.78 73.81 Favored 'General case' 0 C--N 1.41 3.205 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.4 p -85.02 -22.41 29.05 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 123.96 0.904 . . . . 0.0 110.602 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.98 -26.77 57.07 Favored 'General case' 0 C--N 1.387 2.234 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.723 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.14 -8.92 58.1 Favored 'General case' 0 C--N 1.392 2.454 0 C-N-CA 125.57 1.548 . . . . 0.0 113.126 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mt -89.89 -25.69 20.85 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -88.37 -13.86 39.57 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 172.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -115.77 37.46 3.61 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 127.304 2.242 . . . . 0.0 114.326 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -126.14 -0.37 7.12 Favored 'General case' 0 CA--C 1.577 1.982 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -94.52 -89.54 0.23 Allowed 'General case' 0 C--N 1.379 1.857 0 CA-C-N 112.276 -2.238 . . . . 0.0 116.393 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -114.18 -23.79 9.29 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 125.14 1.376 . . . . 0.0 109.735 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.99 -13.17 56.48 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 112.211 -2.268 . . . . 0.0 114.713 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -53.55 -40.05 65.23 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -171.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 mp -69.51 -52.96 13.51 Favored Pre-proline 0 CA--C 1.593 2.605 0 CA-C-O 116.525 -1.703 . . . . 0.0 112.545 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.3 2.05 8.41 Favored 'Trans proline' 1 C--N 1.451 5.973 0 C-N-CA 123.161 2.574 . . . . 0.0 115.106 173.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -164.7 92.21 0.11 Allowed Glycine 0 C--N 1.361 1.953 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 175.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -163.6 -47.6 0.02 OUTLIER Glycine 0 C--N 1.344 0.978 0 C-N-CA 125.058 1.314 . . . . 0.0 110.132 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -78.67 -22.33 46.91 Favored 'General case' 0 N--CA 1.504 2.241 0 C-N-CA 124.815 1.246 . . . . 0.0 112.1 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 79.7 mt -70.78 -32.91 70.18 Favored 'General case' 0 N--CA 1.509 2.496 0 C-N-CA 125.066 1.346 . . . . 0.0 111.069 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -69.97 -31.69 69.53 Favored 'General case' 0 C--N 1.376 1.755 0 C-N-CA 125.507 1.523 . . . . 0.0 110.0 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.07 89.1 Favored 'General case' 0 C--N 1.393 2.474 0 C-N-CA 125.568 1.547 . . . . 0.0 110.904 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -71.37 -50.02 36.39 Favored 'General case' 0 C--N 1.384 2.071 0 C-N-CA 124.463 1.105 . . . . 0.0 111.045 176.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.68 -60.94 3.04 Favored 'General case' 0 CA--C 1.593 2.621 0 O-C-N 124.518 1.136 . . . . 0.0 113.201 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -86.2 -52.03 5.91 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -175.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.21 -35.82 74.15 Favored 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -81.79 -22.09 37.35 Favored 'General case' 0 C--N 1.385 2.131 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -71.97 -25.84 62.02 Favored 'General case' 0 C--N 1.395 2.567 0 CA-C-N 118.196 0.453 . . . . 0.0 110.826 172.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -70.12 -42.46 72.61 Favored 'General case' 0 N--CA 1.512 2.65 0 C-N-CA 125.007 1.323 . . . . 0.0 112.139 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -68.04 -35.7 78.7 Favored 'General case' 0 C--N 1.391 2.382 0 C-N-CA 124.776 1.231 . . . . 0.0 112.73 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.34 -32.82 72.15 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 124.962 1.305 . . . . 0.0 111.692 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -64.49 -42.0 96.13 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 125.74 1.616 . . . . 0.0 112.781 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -72.58 -40.92 66.23 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.02 -33.18 72.88 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 118.039 0.381 . . . . 0.0 110.135 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.25 -32.23 68.49 Favored 'General case' 0 C--N 1.379 1.872 0 C-N-CA 125.101 1.36 . . . . 0.0 112.664 175.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.68 -37.24 79.42 Favored 'General case' 0 C--N 1.403 2.91 0 C-N-CA 125.123 1.369 . . . . 0.0 111.654 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.4 mtt -65.03 -38.34 90.57 Favored 'General case' 0 C--N 1.393 2.482 0 C-N-CA 125.399 1.48 . . . . 0.0 110.477 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -69.25 -38.98 78.73 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 124.998 1.319 . . . . 0.0 110.673 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -74.15 -46.6 41.32 Favored 'General case' 0 N--CA 1.51 2.556 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.17 -40.78 77.94 Favored 'General case' 0 N--CA 1.514 2.728 0 C-N-CA 124.548 1.139 . . . . 0.0 113.341 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.71 -34.72 76.13 Favored 'General case' 0 C--N 1.383 2.056 0 C-N-CA 124.265 1.026 . . . . 0.0 111.713 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 27.2 tt0 -70.9 -29.93 66.13 Favored 'General case' 0 C--N 1.384 2.089 0 CA-C-O 117.772 -1.109 . . . . 0.0 113.264 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -71.02 -49.43 45.14 Favored 'General case' 0 N--CA 1.51 2.574 0 CA-C-N 119.361 0.982 . . . . 0.0 113.592 -177.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -75.63 -32.98 60.45 Favored 'General case' 0 C--N 1.389 2.304 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.419 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -88.14 -12.33 44.34 Favored 'General case' 0 CA--C 1.576 1.976 0 C-N-CA 124.318 1.047 . . . . 0.0 112.678 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -62.67 -33.76 75.71 Favored 'General case' 0 N--CA 1.522 3.171 0 C-N-CA 125.639 1.575 . . . . 0.0 110.504 174.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.25 -16.34 64.23 Favored 'General case' 0 N--CA 1.503 2.177 0 C-N-CA 125.618 1.567 . . . . 0.0 114.03 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -97.16 -28.98 13.86 Favored 'General case' 0 C--N 1.391 2.37 0 C-N-CA 124.401 1.08 . . . . 0.0 110.255 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 51.08 28.17 3.79 Favored 'General case' 0 N--CA 1.527 3.387 0 C-N-CA 128.392 2.677 . . . . 0.0 116.622 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.437 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 2.3 m-20 -88.38 146.48 37.86 Favored Pre-proline 0 CA--C 1.584 2.274 0 CA-C-O 118.592 -0.718 . . . . 0.0 112.267 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -59.14 -11.29 12.41 Favored 'Trans proline' 1 C--N 1.427 4.68 0 C-N-CA 124.448 3.432 . . . . 0.0 118.081 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -70.29 -31.2 68.44 Favored 'General case' 0 N--CA 1.53 3.54 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -174.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.449 ' O ' HD13 ' A' ' 145' ' ' ILE . 0.0 OUTLIER -77.65 -29.96 51.91 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 126.364 1.866 . . . . 0.0 110.347 -179.297 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.12 -33.12 71.43 Favored 'General case' 0 C--N 1.391 2.402 0 C-N-CA 124.933 1.293 . . . . 0.0 109.813 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -71.49 -34.11 69.85 Favored 'General case' 0 CA--C 1.58 2.108 0 C-N-CA 123.733 0.813 . . . . 0.0 110.802 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.49 -43.79 65.9 Favored 'General case' 0 N--CA 1.516 2.871 0 C-N-CA 125.386 1.474 . . . . 0.0 114.72 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.449 HD13 ' O ' ' A' ' 141' ' ' LEU . 3.7 mt -69.14 -41.79 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.263 0 C-N-CA 125.238 1.415 . . . . 0.0 109.872 178.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.8 m -61.53 -39.85 92.54 Favored 'General case' 0 CA--C 1.587 2.375 0 C-N-CA 125.854 1.662 . . . . 0.0 111.405 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.18 94.69 Favored 'General case' 0 N--CA 1.51 2.573 0 C-N-CA 124.892 1.277 . . . . 0.0 112.693 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.4 mt -73.47 -28.6 62.02 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 125.049 1.34 . . . . 0.0 111.485 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -35.45 79.12 Favored 'General case' 0 C--N 1.389 2.314 0 C-N-CA 126.076 1.75 . . . . 0.0 112.548 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -75.78 -35.59 60.05 Favored 'General case' 0 C--N 1.387 2.205 0 C-N-CA 125.441 1.497 . . . . 0.0 110.369 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -71.12 -35.03 71.62 Favored 'General case' 0 C--N 1.386 2.177 0 C-N-CA 125.188 1.395 . . . . 0.0 112.713 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.16 -40.38 97.4 Favored 'General case' 0 C--N 1.381 1.964 0 C-N-CA 124.425 1.09 . . . . 0.0 109.962 174.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.73 -40.93 39.52 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 178.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -71.09 -37.59 72.41 Favored 'General case' 0 N--CA 1.511 2.591 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 98.5 m -73.29 -39.18 65.54 Favored 'General case' 0 C--N 1.375 1.709 0 C-N-CA 123.483 0.713 . . . . 0.0 112.443 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -70.74 -39.75 73.15 Favored 'General case' 0 CA--C 1.581 2.152 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.7 m -71.67 -44.41 64.32 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 124.777 1.231 . . . . 0.0 112.863 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.41 87.39 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 125.162 1.385 . . . . 0.0 113.459 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 21.9 mt -71.8 -38.62 66.21 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.115 0 C-N-CA 125.268 1.427 . . . . 0.0 111.319 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.6 95.02 Favored 'General case' 0 C--N 1.39 2.335 0 C-N-CA 124.24 1.016 . . . . 0.0 113.408 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.3 -40.24 89.88 Favored 'General case' 0 N--CA 1.512 2.642 0 C-N-CA 125.103 1.361 . . . . 0.0 112.692 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.6 p -71.13 -31.19 67.44 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 124.184 0.994 . . . . 0.0 112.225 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -72.99 -31.37 64.47 Favored 'General case' 0 C--N 1.383 2.048 0 C-N-CA 124.828 1.251 . . . . 0.0 112.197 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.84 -39.18 83.89 Favored 'General case' 0 N--CA 1.513 2.696 0 C-N-CA 124.987 1.315 . . . . 0.0 112.946 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.39 -33.85 71.88 Favored 'General case' 0 C--N 1.377 1.776 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.577 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.1 mt -70.75 -29.29 65.5 Favored 'General case' 0 N--CA 1.505 2.288 0 C-N-CA 125.217 1.407 . . . . 0.0 111.686 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.64 -27.17 61.96 Favored 'General case' 0 C--N 1.38 1.929 0 C-N-CA 125.21 1.404 . . . . 0.0 112.701 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.83 -25.08 30.64 Favored 'General case' 0 C--N 1.38 1.934 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -177.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.36 23.33 5.12 Favored 'Isoleucine or valine' 0 C--N 1.378 1.834 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -176.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 67.0 m -57.5 -40.96 79.83 Favored 'General case' 0 C--N 1.377 1.776 0 CA-C-N 113.608 -1.633 . . . . 0.0 108.735 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 . . . . . 0 N--CA 1.494 1.768 0 CA-C-N 112.676 -2.056 . . . . 0.0 111.478 179.334 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.161 0.505 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -114.51 132.44 56.3 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 124.403 1.081 . . . . 0.0 110.872 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.56 125.75 28.15 Favored Pre-proline 0 CA--C 1.575 1.923 0 C-N-CA 123.429 0.691 . . . . 0.0 112.285 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -60.04 -27.39 84.79 Favored 'Trans proline' 1 C--N 1.432 4.953 0 C-N-CA 124.165 3.243 . . . . 0.0 117.215 177.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.64 -35.57 65.31 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 124.147 0.979 . . . . 0.0 112.222 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.36 -35.04 58.9 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 125.748 1.619 . . . . 0.0 112.435 178.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.38 -31.37 65.51 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 123.892 0.877 . . . . 0.0 110.048 177.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -66.09 -38.29 87.9 Favored 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 124.956 1.303 . . . . 0.0 111.829 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.4 m -71.99 -40.9 68.23 Favored 'General case' 0 C--N 1.382 1.98 0 C-N-CA 124.472 1.109 . . . . 0.0 110.634 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mt -58.79 -43.31 90.46 Favored 'General case' 0 C--N 1.386 2.187 0 O-C-N 124.372 1.045 . . . . 0.0 112.412 173.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -66.0 -39.58 90.41 Favored 'General case' 0 C--N 1.399 2.741 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.436 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 2.0 m -69.97 -35.76 74.68 Favored 'General case' 0 C--N 1.38 1.917 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.567 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.31 -32.73 73.52 Favored 'General case' 0 N--CA 1.506 2.371 0 C-N-CA 124.375 1.07 . . . . 0.0 111.413 174.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.3 t -73.86 -44.81 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.379 0 C-N-CA 125.566 1.546 . . . . 0.0 110.691 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.19 -30.04 68.15 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 123.485 0.714 . . . . 0.0 111.337 175.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' A' ' 12' ' ' THR . . . -65.56 -40.86 93.3 Favored 'General case' 0 N--CA 1.514 2.747 0 C-N-CA 126.048 1.739 . . . . 0.0 110.446 172.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -36.15 72.07 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 125.23 1.412 . . . . 0.0 110.511 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -59.77 -43.45 94.34 Favored 'General case' 0 N--CA 1.501 2.125 0 C-N-CA 127.354 2.262 . . . . 0.0 111.948 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.95 -15.0 59.34 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 124.87 1.268 . . . . 0.0 114.31 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.76 -17.27 19.48 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 124.777 1.231 . . . . 0.0 109.228 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.55 14.91 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 127.162 2.185 . . . . 0.0 110.855 176.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.4 -77.44 0.32 Allowed Glycine 0 C--N 1.363 2.075 0 CA-C-O 116.628 -2.207 . . . . 0.0 114.458 -172.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -68.51 -2.57 9.45 Favored 'Trans proline' 0 C--N 1.411 3.859 0 CA-C-N 122.426 3.113 . . . . 0.0 115.739 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -9.32 51.55 Favored 'General case' 0 N--CA 1.507 2.386 0 C-N-CA 126.361 1.864 . . . . 0.0 112.046 178.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.51 90.03 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.2 -43.94 5.32 Favored 'General case' 0 C--N 1.38 1.924 0 CA-C-O 121.767 0.794 . . . . 0.0 110.928 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -94.21 166.99 11.84 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 126.839 2.056 . . . . 0.0 114.32 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 59.95 45.92 11.65 Favored 'General case' 0 N--CA 1.536 3.83 0 C-N-CA 127.519 2.328 . . . . 0.0 114.343 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 60.36 -92.84 0.04 OUTLIER 'General case' 0 N--CA 1.519 3.008 0 C-N-CA 127.291 2.237 . . . . 0.0 112.086 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -151.45 156.65 41.05 Favored 'General case' 0 C--N 1.376 1.745 0 C-N-CA 124.294 1.038 . . . . 0.0 110.203 178.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.88 137.48 20.16 Favored Pre-proline 0 C--N 1.389 2.308 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.802 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.22 -8.75 24.12 Favored 'Trans proline' 1 C--N 1.427 4.666 0 C-N-CA 123.202 2.601 . . . . 0.0 117.153 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -108.52 19.67 19.49 Favored 'General case' 0 CA--C 1.579 2.092 0 CA-C-O 122.067 0.937 . . . . 0.0 112.52 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.24 109.68 10.12 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.571 177.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.05 88.75 4.05 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 118.036 -1.466 . . . . 0.0 109.554 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -83.45 6.27 20.78 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-N 113.552 -1.658 . . . . 0.0 114.235 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -79.7 -27.17 40.73 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.034 0.933 . . . . 0.0 110.741 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mt -95.28 -5.44 43.63 Favored 'General case' 0 C--N 1.389 2.292 0 O-C-N 123.897 0.748 . . . . 0.0 112.834 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.13 152.52 35.47 Favored 'General case' 0 C--N 1.383 2.032 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.41 105.77 9.69 Favored 'General case' 0 C--N 1.386 2.156 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.6 173.85 0.67 Allowed 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 113.143 -1.844 . . . . 0.0 109.768 -178.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -87.96 -41.17 13.33 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.73 80.05 0.1 OUTLIER Glycine 0 N--CA 1.506 3.305 0 N-CA-C 119.632 2.613 . . . . 0.0 119.632 170.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.89 20.69 2.85 Favored 'General case' 0 C--N 1.371 1.507 0 CA-C-N 119.598 1.699 . . . . 0.0 106.781 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.451 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 72.6 ttt180 -153.35 147.85 26.07 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.862 1.665 . . . . 0.0 110.519 -176.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -23.28 62.56 Favored 'General case' 0 N--CA 1.524 3.265 0 C-N-CA 123.843 0.857 . . . . 0.0 110.69 173.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -60.58 -40.57 98.03 Favored Glycine 0 C--N 1.38 2.98 0 C-N-CA 124.832 1.206 . . . . 0.0 115.933 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.65 -25.86 57.2 Favored 'General case' 0 N--CA 1.514 2.759 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -83.61 -30.03 27.26 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.083 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -74.45 -40.21 62.06 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 125.163 1.385 . . . . 0.0 112.547 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -30.85 70.2 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.309 1.444 . . . . 0.0 111.24 176.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -77.54 -30.05 52.59 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 123.413 0.685 . . . . 0.0 110.064 177.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.27 -39.43 68.38 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 114.014 -1.448 . . . . 0.0 111.777 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -65.75 -39.86 91.52 Favored 'General case' 0 N--CA 1.507 2.404 0 C-N-CA 125.064 1.346 . . . . 0.0 110.871 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.54 -26.06 61.61 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 126.884 2.074 . . . . 0.0 113.445 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.9 m -78.47 -31.59 47.96 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 123.558 0.743 . . . . 0.0 110.414 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.0 tp -71.47 -41.14 69.72 Favored 'General case' 0 C--N 1.384 2.089 0 C-N-CA 125.126 1.37 . . . . 0.0 110.447 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.9 p -71.79 -31.07 66.22 Favored 'General case' 0 N--CA 1.504 2.256 0 C-N-CA 125.632 1.573 . . . . 0.0 113.487 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -75.97 -37.03 59.03 Favored 'General case' 0 N--CA 1.51 2.534 0 C-N-CA 123.751 0.82 . . . . 0.0 113.107 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.87 -29.98 66.23 Favored 'General case' 0 C--N 1.387 2.216 0 C-N-CA 124.567 1.147 . . . . 0.0 111.343 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.5 -35.3 80.02 Favored 'General case' 0 N--CA 1.506 2.37 0 C-N-CA 126.7 2.0 . . . . 0.0 111.752 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.63 -40.07 92.14 Favored 'General case' 0 C--N 1.393 2.457 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.202 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.57 -27.44 68.96 Favored 'General case' 0 C--N 1.397 2.668 0 C-N-CA 125.039 1.335 . . . . 0.0 113.586 173.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.21 -39.22 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.785 0 C-N-CA 125.413 1.485 . . . . 0.0 108.913 175.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -70.66 -10.41 59.31 Favored 'General case' 0 N--CA 1.504 2.253 0 C-N-CA 125.58 1.552 . . . . 0.0 112.146 174.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -92.73 -8.85 42.66 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 125.485 1.514 . . . . 0.0 111.829 176.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.21 35.35 18.12 Favored Glycine 0 C--N 1.376 2.788 0 N-CA-C 117.511 1.764 . . . . 0.0 117.511 178.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.0 96.04 6.76 Favored 'General case' 0 C--N 1.371 1.502 0 CA-C-O 122.244 1.021 . . . . 0.0 108.532 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.39 -22.47 61.12 Favored 'General case' 0 N--CA 1.505 2.3 0 CA-C-N 113.201 -1.818 . . . . 0.0 112.303 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.3 m -70.4 -36.4 74.05 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 125.32 1.448 . . . . 0.0 109.776 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.84 -20.68 59.65 Favored 'General case' 0 C--N 1.392 2.432 0 C-N-CA 124.01 0.924 . . . . 0.0 111.655 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.7 t -75.06 -51.15 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 126.215 1.806 . . . . 0.0 109.794 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.67 80.77 Favored 'General case' 0 C--N 1.38 1.901 0 C-N-CA 126.833 2.053 . . . . 0.0 113.004 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -42.25 96.69 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 125.991 1.717 . . . . 0.0 110.633 174.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.491 ' O ' HD21 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -74.01 -37.65 64.31 Favored 'General case' 0 CA--C 1.571 1.76 0 O-C-N 124.504 1.128 . . . . 0.0 110.394 177.139 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.05 98.38 Favored 'General case' 0 N--CA 1.517 2.922 0 C-N-CA 124.107 0.963 . . . . 0.0 112.679 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.14 -38.26 69.27 Favored 'General case' 0 N--CA 1.514 2.756 0 C-N-CA 125.658 1.583 . . . . 0.0 111.713 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.29 -29.82 64.23 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 125.373 1.469 . . . . 0.0 111.367 175.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.598 ' O ' HG22 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -70.87 -47.99 56.23 Favored 'General case' 0 C--N 1.37 1.482 0 CA-C-O 117.738 -1.125 . . . . 0.0 112.921 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.497 ' O ' HG13 ' A' ' 83' ' ' ILE . . . -69.48 -35.74 75.88 Favored 'General case' 0 C--N 1.384 2.082 0 C-N-CA 124.492 1.117 . . . . 0.0 112.876 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.66 86.8 Favored 'General case' 0 C--N 1.387 2.199 0 C-N-CA 125.151 1.38 . . . . 0.0 110.836 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -74.48 -27.58 60.64 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 124.154 0.982 . . . . 0.0 112.646 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -63.2 -42.79 97.78 Favored 'Isoleucine or valine' 0 C--N 1.39 2.348 0 CA-C-N 118.516 0.598 . . . . 0.0 110.567 177.347 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 3.2 mt-10 -68.34 -44.35 75.49 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 125.648 1.579 . . . . 0.0 111.998 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.3 54.49 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -176.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.2 mt -86.16 -45.27 11.5 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 -175.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.467 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 69.3 mt-30 -65.72 -39.03 90.75 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 123.774 0.671 . . . . 0.0 111.803 178.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.6 mtt180 -78.16 -39.0 42.3 Favored 'General case' 0 C--N 1.389 2.295 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.79 -33.07 68.28 Favored 'General case' 0 N--CA 1.517 2.92 0 CA-C-N 119.829 1.195 . . . . 0.0 110.463 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.16 -30.19 62.14 Favored 'General case' 0 C--N 1.386 2.16 0 C-N-CA 124.179 0.992 . . . . 0.0 110.354 175.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.467 ' HB1' ' O ' ' A' ' 87' ' ' GLN . . . -68.48 -34.68 76.35 Favored 'General case' 0 C--N 1.409 3.161 0 C-N-CA 124.607 1.163 . . . . 0.0 113.79 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.0 p -84.18 -21.47 31.28 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.241 1.017 . . . . 0.0 110.484 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.98 -28.2 60.46 Favored 'General case' 0 C--N 1.389 2.299 0 CA-C-N 114.293 -1.321 . . . . 0.0 112.24 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.93 -8.23 58.69 Favored 'General case' 0 C--N 1.395 2.584 0 C-N-CA 124.871 1.268 . . . . 0.0 111.934 177.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mt -89.98 -30.45 17.79 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 124.948 1.299 . . . . 0.0 114.467 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.26 -10.62 58.44 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -115.67 39.53 2.98 Favored 'General case' 0 C--N 1.38 1.9 0 C-N-CA 127.783 2.433 . . . . 0.0 113.86 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -126.05 1.3 7.24 Favored 'General case' 0 CA--C 1.578 2.056 0 N-CA-C 105.267 -2.123 . . . . 0.0 105.267 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -93.79 -89.65 0.21 Allowed 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 112.226 -2.261 . . . . 0.0 116.243 -176.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -113.72 -24.55 9.11 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 125.202 1.401 . . . . 0.0 109.468 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.98 -11.87 57.77 Favored 'General case' 0 C--N 1.369 1.432 0 CA-C-N 111.917 -2.401 . . . . 0.0 114.216 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -50.9 -41.16 58.24 Favored 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 -172.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.85 -53.29 27.85 Favored Pre-proline 0 CA--C 1.595 2.699 0 CA-C-O 116.587 -1.673 . . . . 0.0 112.81 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.07 11.13 2.41 Favored 'Trans proline' 1 C--N 1.451 5.971 0 C-N-CA 123.554 2.836 . . . . 0.0 114.37 173.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -121.61 6.35 10.57 Favored Glycine 0 C--N 1.364 2.112 0 C-N-CA 123.59 0.614 . . . . 0.0 112.673 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -99.55 -11.67 43.69 Favored Glycine 0 C--N 1.369 2.401 0 C-N-CA 123.515 0.579 . . . . 0.0 113.988 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -93.25 -44.56 8.26 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 124.825 1.25 . . . . 0.0 111.134 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.403 ' O ' HD11 ' A' ' 112' ' ' LEU . 71.7 mt -72.31 -40.69 67.3 Favored 'General case' 0 C--N 1.379 1.89 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -69.29 -33.43 73.18 Favored 'General case' 0 C--N 1.383 2.058 0 C-N-CA 124.363 1.065 . . . . 0.0 111.543 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.2 -36.71 83.77 Favored 'General case' 0 C--N 1.386 2.177 0 C-N-CA 125.485 1.514 . . . . 0.0 110.862 173.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.561 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 1.8 mpt_? -74.83 -49.61 20.04 Favored 'General case' 0 C--N 1.373 1.629 0 C-N-CA 123.852 0.861 . . . . 0.0 111.424 176.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 108' ' ' LEU . 2.6 mp -63.76 -60.86 2.76 Favored 'General case' 0 CA--C 1.6 2.901 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.16 -42.57 23.19 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 116.917 2.192 . . . . 0.0 116.917 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 39.6 mt-10 -72.5 -31.68 65.56 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.561 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 2.4 m-85 -68.31 -38.13 81.29 Favored 'General case' 0 C--N 1.39 2.351 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.057 176.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.84 -38.02 82.65 Favored 'General case' 0 C--N 1.391 2.389 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.44 -42.43 78.85 Favored 'General case' 0 N--CA 1.52 3.061 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -72.01 -34.12 68.6 Favored 'General case' 0 N--CA 1.504 2.268 0 C-N-CA 124.106 0.962 . . . . 0.0 112.556 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 34.2 mt-10 -76.7 -18.92 58.24 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 124.392 1.077 . . . . 0.0 111.911 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -70.25 -50.69 37.18 Favored 'General case' 0 C--N 1.389 2.297 0 C-N-CA 125.256 1.422 . . . . 0.0 112.78 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -72.26 -38.5 68.84 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.9 mt -60.5 -33.39 72.55 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 123.537 0.523 . . . . 0.0 110.523 174.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -71.23 -33.5 69.92 Favored 'General case' 0 C--N 1.381 1.966 0 C-N-CA 124.684 1.194 . . . . 0.0 111.932 176.172 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.92 -39.47 90.59 Favored 'General case' 0 C--N 1.41 3.196 0 C-N-CA 125.657 1.583 . . . . 0.0 112.369 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.7 mtt -63.46 -40.15 96.37 Favored 'General case' 0 C--N 1.392 2.429 0 O-C-N 124.819 1.325 . . . . 0.0 110.496 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -68.1 -38.56 82.45 Favored 'General case' 0 C--N 1.385 2.119 0 C-N-CA 124.87 1.268 . . . . 0.0 110.365 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -63.43 -37.74 88.46 Favored 'General case' 0 C--N 1.402 2.872 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.52 -39.89 85.08 Favored 'General case' 0 N--CA 1.506 2.345 0 C-N-CA 124.324 1.049 . . . . 0.0 111.054 176.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -74.22 -26.05 60.03 Favored 'General case' 0 C--N 1.383 2.058 0 C-N-CA 124.761 1.224 . . . . 0.0 112.645 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -69.18 -37.17 78.03 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 125.54 1.536 . . . . 0.0 111.539 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -66.58 -38.52 87.22 Favored 'General case' 0 C--N 1.386 2.175 0 C-N-CA 124.947 1.299 . . . . 0.0 110.669 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.71 -35.88 75.42 Favored 'General case' 0 C--N 1.389 2.285 0 C-N-CA 124.958 1.303 . . . . 0.0 111.791 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -68.56 -36.77 79.22 Favored 'General case' 0 C--N 1.392 2.416 0 C-N-CA 125.277 1.431 . . . . 0.0 111.854 177.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.46 90.65 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 125.221 1.408 . . . . 0.0 113.528 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -90.58 -38.88 12.87 Favored 'General case' 0 C--N 1.386 2.173 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -106.93 -30.24 8.98 Favored 'General case' 0 C--N 1.393 2.469 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -174.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 55.8 26.14 9.23 Favored 'General case' 0 N--CA 1.53 3.53 0 C-N-CA 127.53 2.332 . . . . 0.0 116.472 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.82 141.25 68.11 Favored Pre-proline 0 N--CA 1.5 2.063 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.44 -13.87 31.68 Favored 'Trans proline' 1 C--N 1.432 4.933 0 C-N-CA 124.073 3.182 . . . . 0.0 116.728 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -69.03 -37.66 78.75 Favored 'General case' 0 N--CA 1.527 3.408 0 C-N-CA 124.381 1.072 . . . . 0.0 113.321 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.445 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -77.92 -29.51 50.09 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 126.607 1.963 . . . . 0.0 110.069 -179.478 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.24 -36.77 77.51 Favored 'General case' 0 C--N 1.379 1.878 0 C-N-CA 126.757 2.023 . . . . 0.0 110.233 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.24 -34.12 72.47 Favored 'General case' 0 C--N 1.379 1.886 0 C-N-CA 124.139 0.976 . . . . 0.0 110.601 173.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.25 -42.09 66.03 Favored 'General case' 0 N--CA 1.512 2.634 0 C-N-CA 125.226 1.41 . . . . 0.0 114.424 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.9 mt -66.63 -43.46 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.334 0 C-N-CA 125.1 1.36 . . . . 0.0 108.813 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.4 m -62.64 -41.55 99.09 Favored 'General case' 0 CA--C 1.59 2.486 0 C-N-CA 126.154 1.781 . . . . 0.0 111.432 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.73 95.37 Favored 'General case' 0 N--CA 1.513 2.693 0 C-N-CA 124.677 1.191 . . . . 0.0 112.467 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.26 -26.44 58.81 Favored 'General case' 0 C--N 1.381 1.96 0 C-N-CA 124.705 1.202 . . . . 0.0 111.886 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -37.86 89.04 Favored 'General case' 0 C--N 1.391 2.398 0 C-N-CA 126.249 1.82 . . . . 0.0 112.286 177.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -75.41 -35.09 61.07 Favored 'General case' 0 C--N 1.39 2.367 0 C-N-CA 124.897 1.279 . . . . 0.0 110.149 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -70.68 -34.21 71.75 Favored 'General case' 0 C--N 1.388 2.24 0 C-N-CA 125.406 1.482 . . . . 0.0 112.592 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.94 -39.35 93.96 Favored 'General case' 0 C--N 1.379 1.866 0 C-N-CA 124.711 1.204 . . . . 0.0 109.851 175.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.7 p -76.29 -38.91 55.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.156 0.91 . . . . 0.0 112.658 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -71.28 -35.19 71.25 Favored 'General case' 0 N--CA 1.511 2.578 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 83.4 m -72.08 -39.38 69.02 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 123.739 0.816 . . . . 0.0 112.41 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -29.67 69.91 Favored 'General case' 0 N--CA 1.51 2.527 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.64 -42.31 35.27 Favored 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 123.527 0.731 . . . . 0.0 112.287 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.15 -36.88 75.04 Favored 'General case' 0 C--N 1.379 1.85 0 C-N-CA 125.365 1.466 . . . . 0.0 113.075 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 33.8 mt -70.11 -40.13 77.94 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.85 0 C-N-CA 125.448 1.499 . . . . 0.0 110.6 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.84 96.97 Favored 'General case' 0 C--N 1.393 2.479 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.53 -40.53 76.85 Favored 'General case' 0 N--CA 1.514 2.762 0 C-N-CA 124.903 1.281 . . . . 0.0 114.044 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.2 p -70.93 -36.16 72.52 Favored 'General case' 0 N--CA 1.51 2.544 0 C-N-CA 124.303 1.041 . . . . 0.0 112.499 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -72.21 -32.6 66.92 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 124.536 1.134 . . . . 0.0 111.964 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -66.35 -37.32 85.06 Favored 'General case' 0 N--CA 1.51 2.538 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 169' ' ' ILE . . . -70.58 -36.07 73.38 Favored 'General case' 0 C--N 1.372 1.545 0 O-C-N 124.57 1.169 . . . . 0.0 110.581 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.3 mt -74.7 -31.74 61.96 Favored 'General case' 0 C--N 1.39 2.366 0 C-N-CA 126.085 1.754 . . . . 0.0 112.651 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -72.41 -29.63 63.9 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 125.302 1.441 . . . . 0.0 113.169 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.08 -13.55 49.99 Favored 'General case' 0 C--N 1.382 2.008 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -177.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 165' ' ' ALA . 1.1 pt -100.73 -10.56 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 C-N-CA 123.492 0.717 . . . . 0.0 112.316 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.8 t -100.16 6.77 44.85 Favored 'General case' 0 CA--C 1.58 2.115 0 C-N-CA 125.283 1.433 . . . . 0.0 111.067 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 . . . . . 0 N--CA 1.495 1.819 0 C-N-CA 123.973 0.909 . . . . 0.0 112.052 -176.066 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtt . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 120.99 0.424 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -115.49 -54.85 2.5 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.444 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.88 119.88 10.85 Favored Pre-proline 0 C--N 1.379 1.878 0 C-N-CA 123.656 0.782 . . . . 0.0 111.77 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.82 -23.4 76.59 Favored 'Trans proline' 1 C--N 1.433 4.995 0 C-N-CA 124.266 3.311 . . . . 0.0 117.528 177.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mt -81.48 -34.11 31.54 Favored 'General case' 0 N--CA 1.507 2.41 0 CA-C-N 119.001 0.818 . . . . 0.0 111.911 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.5 -36.57 52.47 Favored 'General case' 0 C--N 1.374 1.665 0 C-N-CA 125.356 1.462 . . . . 0.0 112.555 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -29.8 65.47 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 124.009 0.924 . . . . 0.0 110.309 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -67.13 -37.98 84.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 124.517 1.136 . . . . 0.0 111.545 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.4 m -71.53 -41.19 69.48 Favored 'General case' 0 C--N 1.387 2.224 0 C-N-CA 124.259 1.024 . . . . 0.0 110.679 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.91 -43.86 86.44 Favored 'General case' 0 C--N 1.389 2.31 0 O-C-N 124.388 1.055 . . . . 0.0 111.703 172.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -65.12 -41.74 94.58 Favored 'General case' 0 C--N 1.396 2.63 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 7.8 m -67.91 -39.67 83.52 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.631 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.25 -32.55 72.36 Favored 'General case' 0 N--CA 1.504 2.243 0 C-N-CA 124.851 1.26 . . . . 0.0 111.89 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.54 -46.61 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.283 0 C-N-CA 125.162 1.385 . . . . 0.0 111.168 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 -32.34 72.28 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 123.835 0.854 . . . . 0.0 111.531 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 12' ' ' THR . . . -65.72 -40.45 92.22 Favored 'General case' 0 N--CA 1.51 2.555 0 C-N-CA 125.647 1.579 . . . . 0.0 111.483 172.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.39 -37.21 66.05 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 124.1 0.96 . . . . 0.0 111.104 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -60.95 -39.02 87.91 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 126.906 2.082 . . . . 0.0 112.09 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.01 -32.35 70.48 Favored 'General case' 0 N--CA 1.509 2.482 0 C-N-CA 123.487 0.715 . . . . 0.0 112.282 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mp -80.24 -22.17 42.04 Favored 'General case' 0 N--CA 1.504 2.259 0 C-N-CA 125.982 1.713 . . . . 0.0 112.831 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.43 HG21 ' O ' ' A' ' 21' ' ' ILE . 59.1 mt -109.29 15.3 8.12 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.66 0 C-N-CA 127.514 2.326 . . . . 0.0 108.758 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.87 -75.44 0.67 Allowed Glycine 0 N--CA 1.502 3.083 0 CA-C-O 117.935 -1.481 . . . . 0.0 115.718 -174.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.33 -7.8 15.02 Favored 'Trans proline' 0 C--N 1.412 3.917 0 C-N-CA 123.687 2.925 . . . . 0.0 117.405 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.21 -61.95 1.62 Allowed 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 126.303 1.841 . . . . 0.0 113.043 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.52 -10.29 59.77 Favored 'General case' 0 N--CA 1.508 2.444 0 CA-C-N 120.051 1.296 . . . . 0.0 113.797 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.35 -4.2 59.13 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 125.074 1.35 . . . . 0.0 111.989 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -103.82 -103.91 0.3 Allowed 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 124.662 1.185 . . . . 0.0 111.476 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -134.31 -41.26 0.8 Allowed 'General case' 0 N--CA 1.51 2.552 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -95.93 146.29 24.71 Favored 'General case' 0 N--CA 1.506 2.346 0 C-N-CA 124.342 1.057 . . . . 0.0 112.993 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.35 157.93 19.15 Favored 'General case' 0 CA--C 1.576 1.947 0 C-N-CA 123.504 0.721 . . . . 0.0 112.86 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 t -97.77 130.98 27.72 Favored Pre-proline 0 C--N 1.39 2.344 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -177.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -66.07 -13.14 38.5 Favored 'Trans proline' 1 C--N 1.433 5.004 0 C-N-CA 124.308 3.338 . . . . 0.0 115.942 176.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -97.73 7.29 46.67 Favored 'General case' 0 CA--C 1.58 2.105 0 C-N-CA 125.382 1.473 . . . . 0.0 113.538 -177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -66.37 119.03 10.89 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.27 91.58 6.78 Favored 'General case' 0 C--N 1.368 1.373 0 CA-C-O 122.232 1.015 . . . . 0.0 109.249 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -80.68 -10.0 59.76 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 113.37 -1.741 . . . . 0.0 114.024 -175.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -80.69 -28.05 36.84 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 123.339 0.656 . . . . 0.0 111.291 -177.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mt -101.2 -4.33 27.39 Favored 'General case' 0 C--N 1.388 2.254 0 O-C-N 123.559 0.537 . . . . 0.0 112.305 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -118.83 153.4 34.56 Favored 'General case' 0 C--N 1.383 2.056 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.3 109.86 14.47 Favored 'General case' 0 C--N 1.382 2.006 0 N-CA-C 104.766 -2.309 . . . . 0.0 104.766 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.9 p -146.15 147.97 32.08 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.209 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -85.22 -34.91 21.91 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 114.183 -1.371 . . . . 0.0 110.181 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.67 87.88 2.01 Favored Glycine 0 C--N 1.381 3.054 0 CA-C-O 118.163 -1.354 . . . . 0.0 113.457 175.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -126.55 -75.42 0.58 Allowed 'General case' 0 C--N 1.372 1.555 0 N-CA-C 105.58 -2.008 . . . . 0.0 105.58 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -148.09 -167.98 2.95 Favored 'General case' 0 N--CA 1.509 2.491 0 CA-C-N 112.53 -2.123 . . . . 0.0 111.22 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -17.86 63.65 Favored 'General case' 0 C--N 1.413 3.354 0 C-N-CA 124.555 1.142 . . . . 0.0 109.838 173.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.72 -37.56 77.58 Favored Glycine 0 C--N 1.388 3.434 0 C-N-CA 125.585 1.565 . . . . 0.0 114.036 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.43 -22.49 59.11 Favored 'General case' 0 N--CA 1.524 3.236 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -83.34 -30.85 27.14 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.27 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -75.24 -36.89 61.25 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 125.181 1.393 . . . . 0.0 111.745 175.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -36.48 78.26 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.995 1.318 . . . . 0.0 111.625 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.27 -31.72 60.84 Favored 'General case' 0 C--N 1.381 1.953 0 C-N-CA 123.734 0.814 . . . . 0.0 111.502 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.41 -40.54 70.43 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-N 113.874 -1.512 . . . . 0.0 111.311 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -36.84 79.92 Favored 'General case' 0 CA--C 1.576 1.976 0 C-N-CA 124.612 1.165 . . . . 0.0 110.298 175.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.4 -25.34 62.3 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 125.758 1.623 . . . . 0.0 112.55 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.3 m -78.52 -30.99 47.38 Favored 'General case' 0 C--N 1.383 2.063 0 C-N-CA 124.038 0.935 . . . . 0.0 110.253 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -42.93 65.48 Favored 'General case' 0 C--N 1.387 2.22 0 C-N-CA 124.278 1.031 . . . . 0.0 110.805 176.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.2 p -70.04 -31.79 69.59 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 126.255 1.822 . . . . 0.0 113.214 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -76.63 -35.37 58.09 Favored 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 123.602 0.761 . . . . 0.0 112.281 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.4 -30.97 66.72 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 124.812 1.245 . . . . 0.0 111.495 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.23 -37.15 86.36 Favored 'General case' 0 N--CA 1.504 2.265 0 C-N-CA 126.668 1.987 . . . . 0.0 111.79 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.44 -38.76 88.12 Favored 'General case' 0 C--N 1.39 2.353 0 O-C-N 124.258 0.974 . . . . 0.0 111.206 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.3 -29.17 70.26 Favored 'General case' 0 C--N 1.392 2.416 0 C-N-CA 125.209 1.404 . . . . 0.0 113.4 173.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.32 -39.85 87.0 Favored 'Isoleucine or valine' 0 C--N 1.389 2.313 0 C-N-CA 125.038 1.335 . . . . 0.0 108.637 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -64.42 -24.29 67.58 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 126.568 1.947 . . . . 0.0 111.688 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -71.82 -39.79 69.57 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 171.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.49 34.04 1.99 Allowed Glycine 0 C--N 1.382 3.124 0 N-CA-C 116.192 1.237 . . . . 0.0 116.192 171.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.78 111.5 23.45 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-O 121.855 0.836 . . . . 0.0 110.184 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.59 -25.25 62.11 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 113.435 -1.711 . . . . 0.0 112.512 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.9 m -70.88 -37.04 73.01 Favored 'General case' 0 CA--C 1.573 1.843 0 C-N-CA 125.374 1.469 . . . . 0.0 110.711 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -75.09 -22.6 58.17 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 123.891 0.876 . . . . 0.0 112.017 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -75.83 -48.98 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 C-N-CA 126.692 1.997 . . . . 0.0 109.701 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.44 82.93 Favored 'General case' 0 C--N 1.383 2.042 0 C-N-CA 127.087 2.155 . . . . 0.0 112.571 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -45.86 91.47 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 125.254 1.422 . . . . 0.0 109.062 172.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.69 -40.01 94.64 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 125.034 1.459 . . . . 0.0 111.249 175.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.43 98.07 Favored 'General case' 0 N--CA 1.514 2.754 0 C-N-CA 124.861 1.264 . . . . 0.0 112.587 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -70.78 -36.1 72.88 Favored 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 126.184 1.794 . . . . 0.0 111.08 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -70.38 -30.12 66.95 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 125.623 1.569 . . . . 0.0 110.289 173.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -44.65 66.0 Favored 'General case' 0 CA--C 1.573 1.857 0 C-N-CA 124.986 1.314 . . . . 0.0 111.657 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.3 84.24 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 125.016 1.326 . . . . 0.0 112.677 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.79 85.71 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 126.281 1.832 . . . . 0.0 112.149 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -73.78 -27.92 61.39 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 123.842 0.857 . . . . 0.0 112.901 177.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.55 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 33.5 mt -62.49 -46.38 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 123.469 0.481 . . . . 0.0 109.756 175.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.3 mt-10 -66.44 -44.67 82.22 Favored 'General case' 0 N--CA 1.502 2.159 0 C-N-CA 124.755 1.222 . . . . 0.0 112.37 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.38 -46.93 46.09 Favored 'General case' 0 C--N 1.377 1.771 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -176.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 67.1 mt -85.84 -42.09 14.45 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -174.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.55 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 22.1 mt-30 -66.63 -39.93 88.51 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 123.922 0.764 . . . . 0.0 111.624 178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 2.0 mtp180 -79.83 -41.3 26.68 Favored 'General case' 0 C--N 1.389 2.307 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.473 ' O ' ' HB1' ' A' ' 93' ' ' ALA . 32.1 mt-10 -70.93 -34.7 71.75 Favored 'General case' 0 N--CA 1.515 2.775 0 CA-C-N 119.265 0.939 . . . . 0.0 111.274 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -74.66 -28.13 60.72 Favored 'General case' 0 CA--C 1.576 1.942 0 C-N-CA 123.665 0.786 . . . . 0.0 110.089 174.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -70.28 -37.2 74.79 Favored 'General case' 0 C--N 1.414 3.37 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -85.51 -23.33 27.78 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 124.38 1.072 . . . . 0.0 110.767 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 89' ' ' GLU . . . -75.45 -29.74 59.75 Favored 'General case' 0 C--N 1.387 2.197 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.491 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.4 p -79.2 -8.53 59.09 Favored 'General case' 0 C--N 1.392 2.418 0 C-N-CA 124.99 1.316 . . . . 0.0 113.118 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.9 -35.24 16.62 Favored 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 124.87 1.268 . . . . 0.0 114.102 -179.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -81.91 -11.74 58.76 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -113.1 42.34 1.92 Allowed 'General case' 0 C--N 1.38 1.933 0 C-N-CA 128.352 2.661 . . . . 0.0 112.246 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -127.72 -21.18 3.79 Favored 'General case' 0 CA--C 1.581 2.158 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -88.48 -98.47 0.09 Allowed 'General case' 0 C--N 1.402 2.873 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -109.76 -21.5 12.36 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 124.679 1.192 . . . . 0.0 110.476 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.16 -10.28 58.72 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-N 112.799 -2.0 . . . . 0.0 113.274 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -51.55 -47.35 63.45 Favored 'General case' 0 N--CA 1.506 2.366 0 C-N-CA 128.206 2.602 . . . . 0.0 116.327 -172.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.6 mt -54.3 -43.85 97.98 Favored Pre-proline 0 N--CA 1.506 2.356 0 N-CA-C 121.514 3.894 . . . . 0.0 121.514 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.86 -35.77 92.82 Favored 'Trans proline' 1 C--N 1.451 5.922 0 CA-C-N 126.062 3.201 . . . . 0.0 115.759 -175.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -78.98 -77.46 0.89 Allowed Glycine 0 C--N 1.378 2.89 0 O-C-N 125.132 1.52 . . . . 0.0 114.836 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.44 -84.05 0.35 Allowed Glycine 0 C--N 1.37 2.439 0 O-C-N 124.047 0.498 . . . . 0.0 112.656 -176.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -115.16 8.03 15.5 Favored 'General case' 0 CA--C 1.571 1.765 0 C-N-CA 124.63 1.172 . . . . 0.0 112.26 177.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.4 mt -72.15 -37.11 69.48 Favored 'General case' 0 N--CA 1.517 2.905 0 C-N-CA 123.358 0.663 . . . . 0.0 111.083 176.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -70.81 -27.78 64.14 Favored 'General case' 0 C--N 1.384 2.096 0 C-N-CA 125.143 1.377 . . . . 0.0 109.45 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.98 -32.76 72.56 Favored 'General case' 0 C--N 1.391 2.406 0 C-N-CA 126.054 1.742 . . . . 0.0 110.97 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 6.6 mpt_? -73.43 -48.36 34.36 Favored 'General case' 0 C--N 1.393 2.493 0 C-N-CA 123.611 0.764 . . . . 0.0 109.257 176.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.14 -62.02 2.13 Favored 'General case' 0 CA--C 1.599 2.834 0 O-C-N 124.533 1.145 . . . . 0.0 113.255 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.34 -49.56 7.16 Favored 'General case' 0 C--N 1.383 2.04 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -175.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.92 -35.82 72.42 Favored 'General case' 0 N--CA 1.51 2.551 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.571 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 7.5 m-85 -70.97 -37.88 72.77 Favored 'General case' 0 C--N 1.392 2.431 0 CA-C-N 118.541 0.61 . . . . 0.0 111.89 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -67.92 -35.61 78.74 Favored 'General case' 0 C--N 1.397 2.634 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 176.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.11 -43.42 98.52 Favored 'General case' 0 N--CA 1.525 3.287 0 C-N-CA 124.904 1.281 . . . . 0.0 114.313 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -68.45 -35.81 78.11 Favored 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 124.381 1.072 . . . . 0.0 112.331 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -68.7 -35.68 77.48 Favored 'General case' 0 C--N 1.378 1.82 0 C-N-CA 124.856 1.262 . . . . 0.0 112.384 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -63.1 -41.81 99.47 Favored 'General case' 0 N--CA 1.507 2.392 0 C-N-CA 125.313 1.445 . . . . 0.0 114.389 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -73.24 -40.65 64.48 Favored 'General case' 0 N--CA 1.508 2.46 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.64 -33.5 71.6 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 123.422 0.451 . . . . 0.0 110.362 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.05 -33.83 70.65 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 125.289 1.436 . . . . 0.0 113.27 176.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.14 86.35 Favored 'General case' 0 C--N 1.399 2.754 0 C-N-CA 124.854 1.262 . . . . 0.0 111.667 -178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.0 mtt -65.73 -38.24 88.61 Favored 'General case' 0 C--N 1.391 2.395 0 CA-C-N 113.628 -1.624 . . . . 0.0 110.885 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -69.55 -38.46 77.46 Favored 'General case' 0 C--N 1.382 2.004 0 C-N-CA 124.642 1.177 . . . . 0.0 111.224 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -73.37 -46.75 47.22 Favored 'General case' 0 N--CA 1.508 2.434 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 -177.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.34 -40.9 73.82 Favored 'General case' 0 N--CA 1.509 2.502 0 C-N-CA 124.022 0.929 . . . . 0.0 113.299 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -68.55 -37.68 80.13 Favored 'General case' 0 C--N 1.384 2.105 0 C-N-CA 124.145 0.978 . . . . 0.0 112.813 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.582 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 0.4 OUTLIER -80.21 -14.37 58.49 Favored 'General case' 0 C--N 1.386 2.161 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.186 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -74.35 -52.74 11.3 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-N 118.788 0.722 . . . . 0.0 112.109 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -74.21 -30.71 62.32 Favored 'General case' 0 C--N 1.392 2.422 0 C-N-CA 124.147 0.979 . . . . 0.0 111.889 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -86.05 -14.17 45.19 Favored 'General case' 0 CA--C 1.574 1.876 0 C-N-CA 124.534 1.134 . . . . 0.0 112.566 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.582 ' HB1' ' O ' ' A' ' 130' ' ' GLU . . . -62.67 -35.06 78.45 Favored 'General case' 0 N--CA 1.521 3.076 0 C-N-CA 125.352 1.461 . . . . 0.0 110.223 174.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.77 -38.35 87.7 Favored 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 125.135 1.374 . . . . 0.0 112.71 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -70.63 -30.12 66.68 Favored 'General case' 0 C--N 1.396 2.615 0 C-N-CA 125.072 1.349 . . . . 0.0 112.498 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 51.54 27.4 3.85 Favored 'General case' 0 N--CA 1.528 3.45 0 C-N-CA 127.86 2.464 . . . . 0.0 117.01 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.58 148.95 39.81 Favored Pre-proline 0 CA--C 1.583 2.22 0 CA-C-O 118.648 -0.691 . . . . 0.0 112.143 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.05 -11.95 17.42 Favored 'Trans proline' 1 C--N 1.427 4.688 0 C-N-CA 124.167 3.244 . . . . 0.0 117.72 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -33.18 65.45 Favored 'General case' 0 N--CA 1.524 3.242 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -173.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -31.16 56.45 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 125.976 1.71 . . . . 0.0 110.73 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.24 -33.53 69.92 Favored 'General case' 0 C--N 1.385 2.137 0 C-N-CA 124.618 1.167 . . . . 0.0 109.787 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.12 -28.94 63.6 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 124.095 0.958 . . . . 0.0 111.995 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -76.2 -43.69 41.26 Favored 'General case' 0 C--N 1.395 2.578 0 C-N-CA 124.654 1.182 . . . . 0.0 112.706 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.1 mp -70.76 -40.58 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 C-N-CA 126.64 1.976 . . . . 0.0 112.106 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.5 m -62.01 -38.61 89.29 Favored 'General case' 0 CA--C 1.584 2.275 0 C-N-CA 125.94 1.696 . . . . 0.0 110.234 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.12 94.9 Favored 'General case' 0 N--CA 1.507 2.386 0 C-N-CA 124.813 1.245 . . . . 0.0 112.002 175.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.46 -28.47 61.97 Favored 'General case' 0 C--N 1.387 2.202 0 C-N-CA 125.187 1.395 . . . . 0.0 111.552 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -34.74 76.09 Favored 'General case' 0 C--N 1.39 2.341 0 C-N-CA 126.646 1.978 . . . . 0.0 111.391 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -76.28 -33.5 59.11 Favored 'General case' 0 C--N 1.38 1.908 0 C-N-CA 125.805 1.642 . . . . 0.0 109.853 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -71.96 -34.9 69.36 Favored 'General case' 0 C--N 1.385 2.126 0 C-N-CA 125.349 1.46 . . . . 0.0 112.626 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.82 -40.64 98.03 Favored 'General case' 0 C--N 1.38 1.912 0 C-N-CA 124.393 1.077 . . . . 0.0 109.863 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.3 p -77.55 -40.4 42.64 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -71.26 -36.05 71.61 Favored 'General case' 0 N--CA 1.514 2.773 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 90.0 m -73.24 -38.35 66.03 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 123.453 0.701 . . . . 0.0 111.679 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -64.71 -39.69 94.08 Favored 'General case' 0 C--N 1.389 2.29 0 C-N-CA 125.032 1.333 . . . . 0.0 112.939 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 15.0 m -72.09 -43.69 64.42 Favored 'General case' 0 CA--C 1.576 1.95 0 C-N-CA 125.037 1.335 . . . . 0.0 112.393 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.66 -39.26 84.54 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 125.541 1.536 . . . . 0.0 113.302 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 35.9 mt -70.43 -39.31 76.22 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.025 0 C-N-CA 125.413 1.485 . . . . 0.0 110.582 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.25 -41.17 97.08 Favored 'General case' 0 C--N 1.392 2.446 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.56 -40.53 84.94 Favored 'General case' 0 N--CA 1.514 2.744 0 C-N-CA 124.777 1.231 . . . . 0.0 113.623 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.3 p -70.33 -34.43 72.67 Favored 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 124.282 1.033 . . . . 0.0 112.667 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.72 -29.74 62.43 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 124.424 1.09 . . . . 0.0 112.61 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.72 -38.68 83.9 Favored 'General case' 0 N--CA 1.514 2.742 0 C-N-CA 124.601 1.16 . . . . 0.0 113.461 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.34 -32.55 70.32 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 124.997 1.319 . . . . 0.0 110.838 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.12 -29.37 60.54 Favored 'General case' 0 C--N 1.384 2.103 0 C-N-CA 125.101 1.361 . . . . 0.0 111.978 177.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -71.97 -31.85 66.69 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 125.736 1.614 . . . . 0.0 112.996 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -76.7 -16.97 59.37 Favored 'General case' 0 C--N 1.384 2.079 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 -177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.74 -1.62 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 CA-C-O 121.839 0.828 . . . . 0.0 109.903 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 17.2 m -97.93 -12.89 21.55 Favored 'General case' 0 CA--C 1.578 2.041 0 C-N-CA 126.343 1.857 . . . . 0.0 110.668 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 . . . . . 0 C--O 1.26 1.611 0 C-N-CA 124.075 0.95 . . . . 0.0 111.221 -176.024 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtt . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.02 0.438 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -116.01 119.64 36.55 Favored 'General case' 0 N--CA 1.495 1.807 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.872 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.26 -52.48 0.04 OUTLIER Pre-proline 0 CA--C 1.584 2.274 0 CA-C-O 116.385 -1.769 . . . . 0.0 111.476 178.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -65.74 -18.67 58.79 Favored 'Trans proline' 1 C--N 1.455 6.172 0 C-N-CA 123.384 2.722 . . . . 0.0 116.629 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.23 -34.73 20.36 Favored 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 124.076 0.951 . . . . 0.0 111.405 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.57 -37.73 49.95 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 125.029 1.332 . . . . 0.0 112.125 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -30.61 67.56 Favored 'General case' 0 C--N 1.382 2.007 0 C-N-CA 124.255 1.022 . . . . 0.0 109.803 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -38.41 87.33 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 124.524 1.14 . . . . 0.0 111.506 176.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.2 m -71.44 -41.13 69.86 Favored 'General case' 0 C--N 1.386 2.165 0 C-N-CA 123.926 0.89 . . . . 0.0 110.819 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 mt -58.84 -43.75 90.77 Favored 'General case' 0 C--N 1.388 2.266 0 O-C-N 124.422 1.076 . . . . 0.0 112.088 173.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -65.98 -39.62 90.53 Favored 'General case' 0 C--N 1.401 2.809 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.468 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 7.7 m -69.28 -38.1 78.2 Favored 'General case' 0 C--N 1.376 1.744 0 CA-C-O 117.5 -1.238 . . . . 0.0 110.307 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.5 -29.02 70.35 Favored 'General case' 0 N--CA 1.507 2.389 0 C-N-CA 123.823 0.849 . . . . 0.0 111.756 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.9 t -76.12 -45.69 35.43 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 C-N-CA 125.633 1.573 . . . . 0.0 110.843 177.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.65 -29.66 67.17 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 123.543 0.737 . . . . 0.0 111.228 175.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 12' ' ' THR . . . -66.0 -40.44 91.14 Favored 'General case' 0 N--CA 1.51 2.559 0 C-N-CA 125.855 1.662 . . . . 0.0 110.245 171.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -35.46 70.73 Favored 'General case' 0 C--N 1.382 1.98 0 C-N-CA 124.737 1.215 . . . . 0.0 110.745 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -59.82 -43.15 94.69 Favored 'General case' 0 N--CA 1.503 2.214 0 C-N-CA 127.198 2.199 . . . . 0.0 111.837 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.13 -14.07 59.35 Favored 'General case' 0 N--CA 1.504 2.268 0 C-N-CA 125.094 1.358 . . . . 0.0 114.19 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -97.6 -18.17 19.09 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.848 1.259 . . . . 0.0 109.023 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.18 15.9 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.696 0 C-N-CA 126.769 2.028 . . . . 0.0 111.046 176.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.5 -81.13 0.14 Allowed Glycine 0 N--CA 1.495 2.584 0 CA-C-O 116.391 -2.339 . . . . 0.0 114.046 -172.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.24 -3.28 9.6 Favored 'Trans proline' 1 C--N 1.423 4.497 0 CA-C-N 122.461 3.131 . . . . 0.0 114.869 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.27 -8.05 55.82 Favored 'General case' 0 C--N 1.382 2.015 0 C-N-CA 126.484 1.914 . . . . 0.0 112.772 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.75 -45.61 93.17 Favored 'General case' 0 N--CA 1.499 2.022 0 C-N-CA 126.764 2.026 . . . . 0.0 116.391 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.3 m -93.17 -32.06 14.54 Favored 'General case' 0 C--N 1.38 1.929 0 C-N-CA 123.92 0.888 . . . . 0.0 110.704 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -121.91 111.44 17.08 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-N 113.471 -1.695 . . . . 0.0 111.841 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -83.85 127.1 33.59 Favored 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -119.42 -121.02 0.3 Allowed 'General case' 0 CA--C 1.575 1.927 0 C-N-CA 123.984 0.914 . . . . 0.0 111.277 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.77 94.74 3.33 Favored 'General case' 0 C--N 1.388 2.259 0 CA-C-N 119.517 1.053 . . . . 0.0 112.461 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.0 m -116.38 120.78 34.34 Favored Pre-proline 0 C--N 1.38 1.92 0 CA-C-N 118.852 0.751 . . . . 0.0 110.846 175.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -62.21 -26.31 77.51 Favored 'Trans proline' 1 C--N 1.434 5.059 0 C-N-CA 123.892 3.061 . . . . 0.0 115.7 178.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -106.34 26.13 10.23 Favored 'General case' 0 CA--C 1.579 2.069 0 C-N-CA 124.893 1.277 . . . . 0.0 112.992 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.66 105.87 3.85 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.44 92.97 3.67 Favored 'General case' 0 C--N 1.373 1.596 0 CA-C-O 121.837 0.827 . . . . 0.0 110.087 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -85.06 -0.86 55.85 Favored 'General case' 0 N--CA 1.5 2.065 0 CA-C-N 113.989 -1.46 . . . . 0.0 113.881 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -80.62 -21.68 41.29 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 124.277 1.031 . . . . 0.0 111.756 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 mt -90.62 -3.09 57.79 Favored 'General case' 0 C--N 1.384 2.096 0 C-N-CA 124.687 1.195 . . . . 0.0 112.13 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -122.35 156.85 33.07 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 124.506 1.123 . . . . 0.0 112.953 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.22 113.05 18.41 Favored 'General case' 0 C--N 1.376 1.746 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 t -135.84 158.97 43.1 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.69 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -106.55 48.5 0.84 Allowed 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.34 -69.79 0.47 Allowed Glycine 0 N--CA 1.489 2.224 0 N-CA-C 118.168 2.027 . . . . 0.0 118.168 170.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -175.21 63.91 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 119.056 1.428 . . . . 0.0 109.78 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -141.58 137.96 32.3 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.06 -23.58 62.17 Favored 'General case' 0 N--CA 1.525 3.291 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 171.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.1 -36.96 93.7 Favored Glycine 0 C--N 1.381 3.081 0 C-N-CA 125.353 1.454 . . . . 0.0 114.422 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.66 -23.04 42.79 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 123.754 0.821 . . . . 0.0 112.547 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -81.37 -29.69 33.94 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.77 -38.21 58.56 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 124.931 1.292 . . . . 0.0 112.933 178.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.8 -35.88 72.74 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 125.49 1.516 . . . . 0.0 112.492 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -78.79 -29.36 44.88 Favored 'General case' 0 C--N 1.377 1.795 0 C-N-CA 123.754 0.822 . . . . 0.0 110.437 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.48 -37.56 65.7 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.771 -1.559 . . . . 0.0 111.342 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -65.0 -41.52 95.32 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 125.186 1.394 . . . . 0.0 110.412 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.79 -39.8 72.95 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 125.719 1.608 . . . . 0.0 112.016 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.8 m -63.14 -37.65 88.04 Favored 'General case' 0 N--CA 1.513 2.705 0 C-N-CA 124.421 1.089 . . . . 0.0 113.674 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.7 tp -70.19 -40.87 74.36 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 124.753 1.221 . . . . 0.0 110.944 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.5 p -71.55 -29.59 64.92 Favored 'General case' 0 N--CA 1.507 2.408 0 C-N-CA 125.372 1.469 . . . . 0.0 113.407 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -76.93 -39.28 51.29 Favored 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 123.882 0.873 . . . . 0.0 113.068 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.03 -35.68 78.68 Favored 'General case' 0 N--CA 1.507 2.379 0 C-N-CA 124.923 1.289 . . . . 0.0 111.744 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -34.98 78.93 Favored 'General case' 0 C--N 1.386 2.189 0 C-N-CA 126.456 1.903 . . . . 0.0 112.143 176.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.15 -40.76 94.8 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 124.2 1.0 . . . . 0.0 112.111 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.8 -27.83 68.55 Favored 'General case' 0 C--N 1.393 2.498 0 C-N-CA 124.973 1.309 . . . . 0.0 113.244 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.32 -38.89 83.69 Favored 'Isoleucine or valine' 0 C--N 1.379 1.886 0 C-N-CA 125.31 1.444 . . . . 0.0 108.866 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -69.39 -12.24 61.49 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 125.854 1.662 . . . . 0.0 112.444 174.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -84.1 -38.99 20.07 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 171.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.06 32.19 2.27 Favored Glycine 0 C--N 1.379 2.963 0 N-CA-C 116.546 1.379 . . . . 0.0 116.546 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.24 108.61 20.21 Favored 'General case' 0 C--N 1.373 1.588 0 CA-C-O 121.772 0.796 . . . . 0.0 109.126 177.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.64 -23.39 61.68 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 113.531 -1.668 . . . . 0.0 112.462 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.6 m -71.06 -37.38 72.49 Favored 'General case' 0 CA--C 1.573 1.853 0 C-N-CA 125.06 1.344 . . . . 0.0 110.39 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.96 -22.56 58.49 Favored 'General case' 0 C--N 1.392 2.434 0 C-N-CA 124.341 1.056 . . . . 0.0 112.165 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.91 -49.26 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 126.447 1.899 . . . . 0.0 109.864 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.79 -37.15 81.64 Favored 'General case' 0 C--N 1.383 2.045 0 C-N-CA 127.074 2.15 . . . . 0.0 112.344 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.84 -45.62 91.74 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 125.575 1.55 . . . . 0.0 108.962 172.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.95 -40.18 95.83 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 124.763 1.29 . . . . 0.0 111.305 175.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.19 95.75 Favored 'General case' 0 N--CA 1.511 2.624 0 C-N-CA 124.944 1.298 . . . . 0.0 112.607 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.98 -38.04 75.92 Favored 'General case' 0 N--CA 1.519 3.013 0 C-N-CA 126.096 1.759 . . . . 0.0 111.221 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -28.9 64.12 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 125.484 1.514 . . . . 0.0 110.571 173.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.15 -45.56 66.52 Favored 'General case' 0 C--N 1.379 1.851 0 C-N-CA 124.192 0.997 . . . . 0.0 111.443 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.45 -40.25 81.18 Favored 'General case' 0 C--N 1.388 2.264 0 C-N-CA 125.369 1.468 . . . . 0.0 112.752 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.28 84.48 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 125.928 1.691 . . . . 0.0 111.89 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -73.59 -27.12 61.13 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 123.883 0.873 . . . . 0.0 112.369 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 33.2 mt -63.07 -46.35 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -67.37 -46.68 72.61 Favored 'General case' 0 N--CA 1.502 2.143 0 C-N-CA 124.718 1.207 . . . . 0.0 112.497 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.04 -44.17 61.11 Favored 'General case' 0 C--N 1.376 1.75 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.67 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 75.1 mt -85.88 -45.93 11.08 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -175.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 50.7 mt-30 -65.92 -36.89 84.61 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 124.047 0.842 . . . . 0.0 113.026 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -76.0 -38.85 56.87 Favored 'General case' 0 CA--C 1.588 2.411 0 C-N-CA 124.556 1.142 . . . . 0.0 113.771 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -77.19 -26.14 52.55 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-N 119.534 1.061 . . . . 0.0 109.519 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.67 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -78.51 -23.83 46.12 Favored 'General case' 0 C--N 1.385 2.117 0 C-N-CA 125.776 1.63 . . . . 0.0 110.451 174.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.44 96.89 Favored 'General case' 0 C--N 1.413 3.341 0 C-N-CA 123.693 0.797 . . . . 0.0 112.957 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -77.79 -29.38 50.78 Favored 'General case' 0 C--N 1.391 2.411 0 C-N-CA 124.58 1.152 . . . . 0.0 111.174 175.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.88 -25.49 56.97 Favored 'General case' 0 C--N 1.389 2.291 0 C-N-CA 123.978 0.911 . . . . 0.0 113.033 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -57.64 -17.67 15.98 Favored 'General case' 0 C--N 1.415 3.444 0 C-N-CA 126.007 1.723 . . . . 0.0 113.078 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.431 ' C ' ' H ' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -58.57 -0.76 0.11 Allowed 'General case' 0 N--CA 1.526 3.333 0 C-N-CA 127.116 2.166 . . . . 0.0 114.442 174.489 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -67.76 27.06 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.185 0 C-N-CA 127.993 2.517 . . . . 0.0 113.806 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.431 ' H ' ' C ' ' A' ' 95' ' ' LEU . 36.2 ptt180 -113.73 -31.56 6.42 Favored 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 128.219 2.608 . . . . 0.0 112.958 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.14 -74.35 0.38 Allowed 'General case' 0 C--N 1.378 1.845 0 N-CA-C 115.66 1.726 . . . . 0.0 115.66 -173.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -141.3 -99.55 0.14 Allowed 'General case' 0 N--CA 1.524 3.26 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -177.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -63.17 -20.9 65.82 Favored 'General case' 0 N--CA 1.515 2.792 0 C-N-CA 126.358 1.863 . . . . 0.0 115.469 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.42 -28.54 46.77 Favored 'General case' 0 CA--C 1.57 1.723 0 C-N-CA 125.715 1.606 . . . . 0.0 112.826 177.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -65.97 -54.21 29.09 Favored 'General case' 0 N--CA 1.51 2.553 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -178.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.09 -40.97 72.9 Favored Pre-proline 0 C--N 1.384 2.08 0 N-CA-C 120.767 3.617 . . . . 0.0 120.767 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -65.17 -31.88 53.27 Favored 'Trans proline' 1 C--N 1.444 5.577 0 CA-C-N 125.62 3.043 . . . . 0.0 114.154 -176.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.4 -121.77 4.84 Favored Glycine 0 C--N 1.368 2.345 0 O-C-N 125.56 1.787 . . . . 0.0 111.901 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.28 -58.29 1.17 Allowed Glycine 0 N--CA 1.482 1.766 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -95.89 -26.92 15.42 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 126.314 1.846 . . . . 0.0 110.218 175.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 64.0 mt -71.48 -35.4 70.79 Favored 'General case' 0 C--N 1.391 2.412 0 C-N-CA 124.701 1.2 . . . . 0.0 113.052 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -68.64 -34.3 75.48 Favored 'General case' 0 C--N 1.381 1.936 0 C-N-CA 125.237 1.415 . . . . 0.0 111.401 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -65.15 -36.03 82.96 Favored 'General case' 0 C--N 1.387 2.21 0 C-N-CA 125.497 1.519 . . . . 0.0 110.796 173.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.489 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -72.1 -50.35 28.78 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 123.814 0.845 . . . . 0.0 110.82 175.53 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.39 -62.04 1.85 Allowed 'General case' 0 CA--C 1.596 2.723 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.53 -43.47 20.67 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 117.032 2.234 . . . . 0.0 117.032 -176.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 38.1 mt-10 -71.54 -33.62 69.31 Favored 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.489 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 7.4 m-85 -68.41 -38.92 81.73 Favored 'General case' 0 C--N 1.39 2.345 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.783 177.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -64.32 -38.48 91.2 Favored 'General case' 0 C--N 1.395 2.561 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -67.13 -42.32 84.62 Favored 'General case' 0 N--CA 1.516 2.866 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -70.61 -35.11 72.8 Favored 'General case' 0 N--CA 1.506 2.334 0 C-N-CA 124.243 1.017 . . . . 0.0 112.116 178.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 31.9 mt-10 -67.95 -35.71 78.86 Favored 'General case' 0 C--N 1.382 2.02 0 C-N-CA 125.168 1.387 . . . . 0.0 111.784 176.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -59.69 -50.22 74.68 Favored 'General case' 0 C--N 1.39 2.361 0 C-N-CA 125.918 1.687 . . . . 0.0 114.571 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -72.36 -39.96 67.68 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 20.1 mt -61.28 -33.46 73.58 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 123.671 0.607 . . . . 0.0 110.555 175.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -70.58 -35.24 72.93 Favored 'General case' 0 C--N 1.377 1.794 0 C-N-CA 125.225 1.41 . . . . 0.0 111.955 176.183 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.1 -39.61 90.1 Favored 'General case' 0 C--N 1.408 3.148 0 C-N-CA 125.582 1.553 . . . . 0.0 112.547 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 59.7 mtt -64.47 -39.58 94.08 Favored 'General case' 0 C--N 1.386 2.183 0 O-C-N 124.817 1.323 . . . . 0.0 110.67 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -68.87 -38.93 80.03 Favored 'General case' 0 C--N 1.383 2.055 0 C-N-CA 125.017 1.327 . . . . 0.0 110.534 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -66.49 -35.71 80.94 Favored 'General case' 0 C--N 1.399 2.746 0 C-N-CA 124.962 1.305 . . . . 0.0 114.505 -178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.45 -39.76 85.36 Favored 'General case' 0 N--CA 1.507 2.411 0 C-N-CA 124.373 1.069 . . . . 0.0 110.923 176.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -75.74 -23.78 56.04 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 124.606 1.162 . . . . 0.0 112.647 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -69.15 -36.86 77.87 Favored 'General case' 0 N--CA 1.516 2.826 0 C-N-CA 125.195 1.398 . . . . 0.0 111.21 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -67.2 -38.67 85.72 Favored 'General case' 0 C--N 1.384 2.097 0 C-N-CA 124.9 1.28 . . . . 0.0 110.712 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.93 -36.41 75.3 Favored 'General case' 0 C--N 1.391 2.379 0 C-N-CA 124.864 1.266 . . . . 0.0 111.858 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -70.14 -34.52 73.16 Favored 'General case' 0 C--N 1.389 2.321 0 C-N-CA 125.066 1.347 . . . . 0.0 111.757 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.42 -38.34 89.63 Favored 'General case' 0 CA--C 1.572 1.811 0 C-N-CA 125.22 1.408 . . . . 0.0 113.273 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -90.82 -38.9 12.67 Favored 'General case' 0 C--N 1.387 2.199 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -106.83 -29.98 9.18 Favored 'General case' 0 C--N 1.394 2.532 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 55.99 26.17 9.64 Favored 'General case' 0 N--CA 1.531 3.621 0 C-N-CA 127.519 2.328 . . . . 0.0 116.569 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.17 137.92 60.62 Favored Pre-proline 0 N--CA 1.503 2.182 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -56.74 -14.88 14.67 Favored 'Trans proline' 1 C--N 1.438 5.283 0 C-N-CA 124.808 3.672 . . . . 0.0 116.748 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -68.73 -37.76 79.68 Favored 'General case' 0 N--CA 1.527 3.413 0 C-N-CA 124.396 1.078 . . . . 0.0 113.273 -177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -77.83 -29.68 50.68 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 126.692 1.997 . . . . 0.0 109.988 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.42 -37.02 77.24 Favored 'General case' 0 C--N 1.375 1.716 0 C-N-CA 126.779 2.032 . . . . 0.0 110.394 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.64 -33.18 70.71 Favored 'General case' 0 C--N 1.381 1.937 0 C-N-CA 124.112 0.965 . . . . 0.0 110.738 173.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.33 -42.58 65.22 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 125.085 1.354 . . . . 0.0 114.007 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 6.6 mt -66.35 -43.18 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.233 0 C-N-CA 125.274 1.429 . . . . 0.0 109.069 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.3 m -62.59 -42.49 99.59 Favored 'General case' 0 CA--C 1.588 2.417 0 C-N-CA 126.059 1.744 . . . . 0.0 111.558 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.01 95.98 Favored 'General case' 0 N--CA 1.512 2.65 0 C-N-CA 124.576 1.15 . . . . 0.0 112.492 175.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 21.8 mt -73.53 -27.6 61.44 Favored 'General case' 0 C--N 1.38 1.912 0 C-N-CA 125.061 1.345 . . . . 0.0 111.974 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -37.91 88.36 Favored 'General case' 0 C--N 1.39 2.344 0 C-N-CA 126.22 1.808 . . . . 0.0 112.439 177.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -75.18 -34.87 61.59 Favored 'General case' 0 C--N 1.39 2.363 0 C-N-CA 125.139 1.376 . . . . 0.0 109.954 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -70.46 -34.98 73.04 Favored 'General case' 0 C--N 1.386 2.179 0 C-N-CA 125.626 1.57 . . . . 0.0 112.613 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.46 -38.7 91.93 Favored 'General case' 0 C--N 1.381 1.961 0 C-N-CA 124.332 1.053 . . . . 0.0 109.999 174.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.7 p -77.36 -39.04 48.85 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 123.94 0.775 . . . . 0.0 112.814 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -70.69 -37.56 73.61 Favored 'General case' 0 N--CA 1.514 2.74 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 88.8 m -71.52 -38.38 71.1 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 123.767 0.827 . . . . 0.0 111.65 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -64.0 -38.13 89.96 Favored 'General case' 0 C--N 1.391 2.388 0 C-N-CA 125.294 1.437 . . . . 0.0 113.369 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 27.5 m -67.68 -40.63 84.42 Favored 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 125.263 1.425 . . . . 0.0 110.235 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.89 -37.88 79.3 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 125.963 1.705 . . . . 0.0 112.589 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 13.0 mt -70.24 -40.01 77.49 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.863 0 C-N-CA 126.291 1.837 . . . . 0.0 110.62 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.0 98.87 Favored 'General case' 0 C--N 1.389 2.308 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.39 -41.28 66.47 Favored 'General case' 0 N--CA 1.507 2.424 0 C-N-CA 124.553 1.141 . . . . 0.0 114.078 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.7 p -72.15 -38.57 69.17 Favored 'General case' 0 N--CA 1.509 2.499 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -74.34 -36.18 63.64 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 123.824 0.85 . . . . 0.0 113.189 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -68.17 -38.53 82.18 Favored 'General case' 0 N--CA 1.51 2.53 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 169' ' ' ILE . . . -71.1 -37.19 72.39 Favored 'General case' 0 C--N 1.374 1.638 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.811 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.12 -33.84 68.13 Favored 'General case' 0 C--N 1.389 2.302 0 C-N-CA 125.567 1.547 . . . . 0.0 112.735 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.15 -23.61 59.29 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 124.651 1.18 . . . . 0.0 112.887 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -19.73 28.65 Favored 'General case' 0 C--N 1.381 1.964 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 165' ' ' ALA . 0.3 OUTLIER -113.09 19.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.378 1.841 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -177.194 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 55.6 m -55.79 -40.71 73.05 Favored 'General case' 0 C--N 1.377 1.777 0 CA-C-N 113.567 -1.651 . . . . 0.0 108.474 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 . . . . . 0 N--CA 1.495 1.793 0 CA-C-N 112.896 -1.957 . . . . 0.0 111.462 178.238 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.085 0.469 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -114.99 129.7 56.77 Favored 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.133 0.973 . . . . 0.0 110.989 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 p -120.87 114.02 32.7 Favored Pre-proline 0 CA--C 1.576 1.976 0 C-N-CA 123.862 0.865 . . . . 0.0 111.394 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -63.86 113.77 2.31 Favored 'Trans proline' 1 C--N 1.435 5.108 0 C-N-CA 123.231 2.621 . . . . 0.0 114.462 178.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.63 -44.55 6.4 Favored 'General case' 0 N--CA 1.503 2.184 0 C-N-CA 123.586 0.754 . . . . 0.0 112.092 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -36.8 57.61 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 125.057 1.343 . . . . 0.0 112.203 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.32 -31.46 68.78 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 124.441 1.096 . . . . 0.0 110.524 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -69.43 -35.69 75.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 124.361 1.038 . . . . 0.0 111.394 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -72.36 -40.97 66.94 Favored 'General case' 0 C--N 1.387 2.235 0 C-N-CA 124.108 0.963 . . . . 0.0 111.015 176.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.8 -44.41 86.28 Favored 'General case' 0 C--N 1.392 2.419 0 O-C-N 124.344 1.028 . . . . 0.0 111.965 173.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -65.57 -39.07 91.25 Favored 'General case' 0 C--N 1.396 2.612 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.418 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 5.5 m -68.89 -38.79 79.86 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.744 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.7 -30.6 71.53 Favored 'General case' 0 N--CA 1.509 2.487 0 C-N-CA 124.704 1.202 . . . . 0.0 111.986 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.8 t -75.26 -46.16 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 C-N-CA 125.251 1.42 . . . . 0.0 110.415 177.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.68 68.98 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 123.755 0.822 . . . . 0.0 111.453 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' HD21 ' A' ' 20' ' ' LEU . . . -64.63 -42.75 95.27 Favored 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 125.49 1.516 . . . . 0.0 110.427 172.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.11 -35.42 74.12 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 124.208 1.003 . . . . 0.0 110.637 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -61.04 -39.6 90.42 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 127.543 2.337 . . . . 0.0 111.977 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.84 -15.96 59.57 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 176.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 16' ' ' ALA . 3.0 mm? -97.52 -19.04 18.63 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.956 1.302 . . . . 0.0 110.168 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.17 10.41 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 C-N-CA 126.976 2.11 . . . . 0.0 113.456 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.32 -75.55 1.2 Allowed Glycine 0 N--CA 1.488 2.112 0 CA-C-O 117.098 -1.946 . . . . 0.0 113.99 -171.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -60.2 -19.02 55.13 Favored 'Trans proline' 1 C--N 1.42 4.313 0 CA-C-N 121.068 2.434 . . . . 0.0 114.471 176.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mp -72.35 -38.82 68.48 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 124.775 1.23 . . . . 0.0 112.993 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.79 -8.21 59.67 Favored 'General case' 0 C--N 1.393 2.491 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.32 -28.72 22.08 Favored 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 123.249 0.62 . . . . 0.0 111.084 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -113.85 179.97 3.8 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 126.092 1.757 . . . . 0.0 110.606 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -91.88 98.78 11.8 Favored 'General case' 0 N--CA 1.498 1.965 0 C-N-CA 123.552 0.741 . . . . 0.0 110.473 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -126.7 151.88 47.54 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 114.528 -1.214 . . . . 0.0 112.409 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -98.81 87.0 3.64 Favored 'General case' 0 CA--C 1.58 2.103 0 C-N-CA 124.957 1.303 . . . . 0.0 110.95 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 t -111.75 106.09 56.61 Favored Pre-proline 0 CA--C 1.582 2.182 0 O-C-N 121.5 -0.75 . . . . 0.0 112.352 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -79.18 -6.45 14.86 Favored 'Trans proline' 1 C--N 1.432 4.954 0 C-N-CA 123.632 2.888 . . . . 0.0 115.515 174.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -101.33 20.35 16.03 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 124.891 1.276 . . . . 0.0 112.537 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -79.06 111.59 15.42 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.57 93.09 8.72 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-O 122.361 1.076 . . . . 0.0 110.345 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -82.24 -14.52 55.38 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 112.933 -1.94 . . . . 0.0 113.915 -176.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -81.31 -28.33 34.65 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 123.455 0.702 . . . . 0.0 111.584 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mt -98.03 -1.04 43.47 Favored 'General case' 0 C--N 1.385 2.146 0 C-N-CA 124.071 0.948 . . . . 0.0 112.451 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -120.56 153.94 36.06 Favored 'General case' 0 C--N 1.38 1.894 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.37 112.82 18.56 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.3 t -134.58 158.47 43.93 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.148 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -111.81 22.29 15.1 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 124.398 1.079 . . . . 0.0 112.924 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.28 85.89 0.63 Allowed Glycine 0 C--N 1.362 1.972 0 CA-C-O 117.528 -1.707 . . . . 0.0 117.222 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 27.59 59.76 0.1 Allowed 'General case' 0 N--CA 1.531 3.586 0 N-CA-C 117.282 2.327 . . . . 0.0 117.282 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -131.79 133.5 44.79 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.83 -27.62 63.03 Favored 'General case' 0 N--CA 1.512 2.674 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 170.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.63 -36.93 93.39 Favored Glycine 0 C--N 1.385 3.27 0 CA-C-N 113.924 -1.489 . . . . 0.0 114.418 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.98 -25.81 40.2 Favored 'General case' 0 C--N 1.395 2.57 0 C-N-CA 123.206 0.602 . . . . 0.0 112.043 -177.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -81.93 -29.64 32.19 Favored 'General case' 0 N--CA 1.505 2.315 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.385 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.14 -35.77 61.62 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 124.794 1.238 . . . . 0.0 111.876 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -30.37 67.65 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 125.362 1.465 . . . . 0.0 111.393 177.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.39 -31.25 37.81 Favored 'General case' 0 C--N 1.382 2.008 0 C-N-CA 123.659 0.784 . . . . 0.0 109.13 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.32 -40.48 64.44 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 114.208 -1.36 . . . . 0.0 112.256 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.54 -35.48 75.47 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 124.792 1.237 . . . . 0.0 110.911 175.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.26 -26.64 61.19 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 125.88 1.672 . . . . 0.0 112.493 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.2 m -78.39 -28.41 46.98 Favored 'General case' 0 C--N 1.386 2.187 0 C-N-CA 123.723 0.809 . . . . 0.0 110.553 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.4 -40.99 66.76 Favored 'General case' 0 C--N 1.385 2.109 0 C-N-CA 124.184 0.994 . . . . 0.0 110.888 176.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.5 p -70.93 -32.13 68.95 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 125.809 1.644 . . . . 0.0 113.943 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -76.94 -40.59 46.54 Favored 'General case' 0 N--CA 1.513 2.714 0 CA-C-N 118.961 0.8 . . . . 0.0 112.942 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.69 -31.76 71.1 Favored 'General case' 0 C--N 1.39 2.342 0 C-N-CA 124.739 1.215 . . . . 0.0 111.43 177.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.21 -33.53 75.96 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 126.188 1.795 . . . . 0.0 111.45 175.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.15 90.02 Favored 'General case' 0 C--N 1.391 2.393 0 O-C-N 124.111 0.882 . . . . 0.0 112.591 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.09 -29.85 66.93 Favored 'General case' 0 C--N 1.391 2.407 0 C-N-CA 123.62 0.768 . . . . 0.0 112.26 173.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.49 -40.26 83.76 Favored 'Isoleucine or valine' 0 C--N 1.389 2.283 0 C-N-CA 125.804 1.641 . . . . 0.0 109.376 175.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -52.36 -33.22 42.02 Favored 'General case' 0 C--N 1.394 2.538 0 O-C-N 125.195 1.56 . . . . 0.0 113.285 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -70.19 -37.9 75.22 Favored 'General case' 0 C--N 1.401 2.829 0 C-N-CA 125.379 1.472 . . . . 0.0 112.447 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.77 35.09 2.09 Favored Glycine 0 C--N 1.372 2.562 0 N-CA-C 115.793 1.077 . . . . 0.0 115.793 175.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.7 113.35 25.42 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-O 121.805 0.812 . . . . 0.0 109.153 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.51 -29.17 65.6 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 113.135 -1.848 . . . . 0.0 113.203 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.9 m -71.75 -38.01 70.46 Favored 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 124.851 1.26 . . . . 0.0 111.265 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -75.32 -22.66 57.48 Favored 'General case' 0 N--CA 1.507 2.424 0 C-N-CA 123.734 0.814 . . . . 0.0 112.306 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.0 t -76.6 -47.69 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 126.183 1.793 . . . . 0.0 109.861 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.73 -37.46 82.21 Favored 'General case' 0 C--N 1.386 2.169 0 C-N-CA 127.319 2.248 . . . . 0.0 112.636 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -41.47 97.27 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 126.15 1.78 . . . . 0.0 110.127 173.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.422 ' O ' HD22 ' A' ' 75' ' ' LEU . 2.1 tt -72.85 -37.85 67.25 Favored 'General case' 0 CA--C 1.573 1.83 0 C-N-CA 124.849 1.26 . . . . 0.0 109.729 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.27 99.24 Favored 'General case' 0 N--CA 1.515 2.778 0 C-N-CA 124.641 1.176 . . . . 0.0 112.257 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -72.17 -37.07 69.42 Favored 'General case' 0 N--CA 1.515 2.792 0 C-N-CA 126.204 1.802 . . . . 0.0 111.506 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -71.34 -30.33 66.06 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 125.078 1.351 . . . . 0.0 110.578 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.06 -43.22 65.26 Favored 'General case' 0 C--N 1.374 1.662 0 C-N-CA 124.496 1.118 . . . . 0.0 112.522 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.26 -40.57 81.87 Favored 'General case' 0 C--N 1.387 2.224 0 C-N-CA 124.891 1.276 . . . . 0.0 112.524 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.39 -37.78 83.65 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 126.404 1.882 . . . . 0.0 112.177 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -73.36 -27.81 61.69 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 123.889 0.876 . . . . 0.0 112.413 176.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.553 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 27.4 mt -62.22 -46.26 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.529 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.3 mt-10 -66.15 -45.04 82.38 Favored 'General case' 0 N--CA 1.506 2.337 0 C-N-CA 124.799 1.24 . . . . 0.0 112.377 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.34 -44.71 58.3 Favored 'General case' 0 C--N 1.377 1.78 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -177.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 72.7 mt -86.21 -43.21 13.17 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -175.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.553 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 18.6 mt-30 -67.77 -38.17 83.04 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 123.819 0.7 . . . . 0.0 111.964 178.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.468 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 7.3 mtt180 -79.17 -38.29 36.28 Favored 'General case' 0 C--N 1.388 2.282 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -72.4 -31.7 65.76 Favored 'General case' 0 N--CA 1.514 2.755 0 CA-C-N 119.316 0.962 . . . . 0.0 110.311 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 86' ' ' LEU . . . -75.3 -29.21 60.01 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 124.072 0.949 . . . . 0.0 110.306 174.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.474 ' HB1' ' O ' ' A' ' 87' ' ' GLN . . . -70.63 -36.43 73.44 Favored 'General case' 0 C--N 1.408 3.11 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.5 p -85.67 -22.4 27.9 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.322 1.049 . . . . 0.0 110.737 177.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.01 -28.47 57.79 Favored 'General case' 0 C--N 1.388 2.264 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.495 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -77.97 -9.03 58.9 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 125.671 1.589 . . . . 0.0 113.388 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mt -88.83 -30.35 19.01 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -84.18 -15.15 48.07 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 173.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -115.22 40.96 2.54 Favored 'General case' 0 C--N 1.388 2.273 0 C-N-CA 127.068 2.147 . . . . 0.0 113.518 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -125.1 -2.13 7.67 Favored 'General case' 0 CA--C 1.582 2.204 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -90.66 -94.0 0.13 Allowed 'General case' 0 C--N 1.378 1.821 0 CA-C-N 112.07 -2.332 . . . . 0.0 116.56 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -112.48 -23.16 10.44 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 125.173 1.389 . . . . 0.0 109.827 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.53 -13.76 56.08 Favored 'General case' 0 C--N 1.366 1.311 0 CA-C-N 111.995 -2.366 . . . . 0.0 114.793 -175.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -55.69 -40.66 72.67 Favored 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -170.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.86 -52.84 16.3 Favored Pre-proline 0 CA--C 1.593 2.599 0 CA-C-O 116.394 -1.765 . . . . 0.0 113.096 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -82.51 -2.03 10.86 Favored 'Trans proline' 1 C--N 1.448 5.77 0 CA-C-N 123.756 2.377 . . . . 0.0 115.152 173.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -150.1 92.92 0.14 Allowed Glycine 0 C--N 1.36 1.912 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 179.7 -40.21 0.08 OUTLIER Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.066 -1.213 . . . . 0.0 110.066 -175.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -67.64 -40.54 84.57 Favored 'General case' 0 N--CA 1.511 2.606 0 C-N-CA 126.014 1.726 . . . . 0.0 111.569 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -27.04 60.38 Favored 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 126.182 1.793 . . . . 0.0 112.914 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -67.22 -35.67 80.08 Favored 'General case' 0 C--N 1.379 1.873 0 C-N-CA 125.536 1.535 . . . . 0.0 110.367 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.18 -35.79 81.38 Favored 'General case' 0 C--N 1.393 2.46 0 C-N-CA 126.082 1.753 . . . . 0.0 111.052 173.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.692 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -71.46 -44.11 65.39 Favored 'General case' 0 C--N 1.377 1.794 0 C-N-CA 123.63 0.772 . . . . 0.0 110.962 174.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -60.73 3.35 Favored 'General case' 0 CA--C 1.599 2.853 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 177.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.24 -48.02 9.51 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -175.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 40.7 mt-10 -71.32 -34.98 71.06 Favored 'General case' 0 N--CA 1.512 2.652 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -178.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.692 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 4.1 m-85 -68.57 -38.47 80.76 Favored 'General case' 0 C--N 1.396 2.589 0 CA-C-N 118.768 0.713 . . . . 0.0 111.806 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -66.17 -33.94 76.9 Favored 'General case' 0 C--N 1.397 2.649 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.82 -42.3 95.08 Favored 'General case' 0 N--CA 1.518 2.957 0 C-N-CA 124.727 1.211 . . . . 0.0 112.964 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -70.0 -36.25 74.99 Favored 'General case' 0 C--N 1.388 2.246 0 C-N-CA 124.935 1.294 . . . . 0.0 112.257 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -69.09 -35.01 76.0 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 125.09 1.356 . . . . 0.0 111.806 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -62.03 -45.77 92.1 Favored 'General case' 0 C--N 1.39 2.336 0 C-N-CA 125.771 1.628 . . . . 0.0 113.169 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -72.77 -41.29 65.2 Favored 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.76 -33.76 73.44 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 118.283 0.492 . . . . 0.0 110.407 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -32.94 68.58 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 124.984 1.314 . . . . 0.0 112.849 176.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.49 87.7 Favored 'General case' 0 C--N 1.399 2.754 0 C-N-CA 124.966 1.307 . . . . 0.0 111.913 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.6 mtt -65.53 -38.66 90.3 Favored 'General case' 0 C--N 1.393 2.472 0 O-C-N 125.307 1.63 . . . . 0.0 110.764 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -69.51 -39.39 77.58 Favored 'General case' 0 C--N 1.383 2.054 0 C-N-CA 124.678 1.191 . . . . 0.0 111.211 177.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -74.0 -46.61 42.54 Favored 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.45 -41.36 72.92 Favored 'General case' 0 N--CA 1.51 2.552 0 C-N-CA 124.105 0.962 . . . . 0.0 113.538 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.73 -36.7 76.08 Favored 'General case' 0 C--N 1.382 2.016 0 C-N-CA 124.224 1.01 . . . . 0.0 112.782 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.601 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 0.3 OUTLIER -78.23 -21.14 50.4 Favored 'General case' 0 C--N 1.384 2.068 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -74.37 -53.15 10.21 Favored 'General case' 0 C--O 1.273 2.304 0 CA-C-N 118.987 0.812 . . . . 0.0 112.97 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -72.3 -34.3 68.04 Favored 'General case' 0 C--N 1.391 2.376 0 CA-C-N 114.469 -1.242 . . . . 0.0 111.826 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -87.95 -9.96 51.97 Favored 'General case' 0 CA--C 1.577 1.988 0 C-N-CA 124.235 1.014 . . . . 0.0 112.934 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 130' ' ' GLU . . . -63.97 -31.08 72.14 Favored 'General case' 0 N--CA 1.523 3.213 0 C-N-CA 124.854 1.262 . . . . 0.0 110.057 174.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -67.74 -14.87 63.31 Favored 'General case' 0 CA--C 1.583 2.248 0 C-N-CA 125.706 1.602 . . . . 0.0 113.691 175.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -96.49 -28.43 14.41 Favored 'General case' 0 C--N 1.393 2.469 0 C-N-CA 124.876 1.271 . . . . 0.0 109.675 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.93 33.68 17.85 Favored 'General case' 0 N--CA 1.522 3.172 0 C-N-CA 128.307 2.643 . . . . 0.0 115.632 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.21 142.7 36.03 Favored Pre-proline 0 CA--C 1.577 2.005 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -65.91 -11.06 29.27 Favored 'Trans proline' 1 C--N 1.425 4.597 0 C-N-CA 123.638 2.892 . . . . 0.0 116.41 177.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -69.85 -33.37 72.18 Favored 'General case' 0 N--CA 1.529 3.487 0 C-N-CA 124.461 1.104 . . . . 0.0 113.903 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -78.48 -30.35 47.28 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.317 1.847 . . . . 0.0 109.998 -178.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.45 70.55 Favored 'General case' 0 C--N 1.381 1.95 0 C-N-CA 124.826 1.25 . . . . 0.0 109.307 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -72.63 -30.87 64.69 Favored 'General case' 0 CA--C 1.58 2.12 0 C-N-CA 124.31 1.044 . . . . 0.0 111.344 173.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -77.24 -44.65 29.13 Favored 'General case' 0 C--N 1.399 2.725 0 C-N-CA 124.908 1.283 . . . . 0.0 113.622 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.2 mp -67.9 -42.25 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 C-N-CA 126.659 1.983 . . . . 0.0 111.827 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 36.7 m -62.95 -39.69 95.38 Favored 'General case' 0 CA--C 1.584 2.254 0 C-N-CA 125.712 1.605 . . . . 0.0 110.739 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.67 92.72 Favored 'General case' 0 N--CA 1.509 2.489 0 C-N-CA 124.833 1.253 . . . . 0.0 112.127 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.74 -28.53 62.7 Favored 'General case' 0 C--N 1.384 2.076 0 C-N-CA 125.126 1.371 . . . . 0.0 111.496 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.49 -31.98 69.32 Favored 'General case' 0 C--N 1.393 2.469 0 C-N-CA 126.074 1.75 . . . . 0.0 111.54 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -76.06 -34.69 59.6 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 125.661 1.584 . . . . 0.0 109.659 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -71.81 -33.55 68.62 Favored 'General case' 0 C--N 1.386 2.17 0 C-N-CA 125.446 1.499 . . . . 0.0 112.741 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.3 -40.75 94.19 Favored 'General case' 0 C--N 1.38 1.9 0 C-N-CA 124.73 1.212 . . . . 0.0 109.781 174.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.4 p -76.12 -38.47 56.81 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 124.079 0.862 . . . . 0.0 112.74 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -74.22 -27.86 60.98 Favored 'General case' 0 N--CA 1.514 2.775 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 2.1 t -74.15 -40.01 62.88 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 124.136 0.974 . . . . 0.0 110.783 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -30.85 65.61 Favored 'General case' 0 N--CA 1.504 2.242 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.99 -50.33 13.41 Favored 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.03 83.98 Favored 'General case' 0 C--N 1.375 1.717 0 C-N-CA 125.422 1.489 . . . . 0.0 112.877 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 20.2 mt -71.49 -37.28 63.71 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.986 0 C-N-CA 124.724 1.21 . . . . 0.0 111.02 176.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.0 99.63 Favored 'General case' 0 C--N 1.396 2.625 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -72.8 -45.91 56.01 Favored 'General case' 0 N--CA 1.51 2.54 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 21.3 p -74.63 -42.67 58.16 Favored 'General case' 0 N--CA 1.509 2.496 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -74.61 -35.73 62.94 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.88 -32.89 70.01 Favored 'General case' 0 N--CA 1.512 2.641 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.95 -36.05 72.44 Favored 'General case' 0 C--N 1.38 1.904 0 O-C-N 124.517 1.135 . . . . 0.0 110.56 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.8 mt -71.96 -36.26 69.79 Favored 'General case' 0 C--N 1.391 2.398 0 C-N-CA 125.515 1.526 . . . . 0.0 111.793 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -73.12 -21.55 60.71 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 125.407 1.483 . . . . 0.0 113.363 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -17.83 49.54 Favored 'General case' 0 C--N 1.378 1.82 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.56 20.52 6.73 Favored 'Isoleucine or valine' 0 C--N 1.368 1.407 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 1.5 t -53.36 -30.18 38.23 Favored 'General case' 0 C--N 1.389 2.309 0 C-N-CA 126.283 1.833 . . . . 0.0 111.933 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 . . . . . 0 N--CA 1.494 1.762 0 CA-C-N 112.239 -2.255 . . . . 0.0 111.785 179.384 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 mtt . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 120.753 0.311 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 58.24 74.22 0.44 Allowed 'General case' 0 N--CA 1.531 3.605 0 C-N-CA 127.249 2.22 . . . . 0.0 113.374 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 p -112.47 108.27 54.54 Favored Pre-proline 0 CA--C 1.578 2.027 0 CA-C-N 114.97 -1.014 . . . . 0.0 112.458 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -62.4 114.16 2.24 Favored 'Trans proline' 1 C--N 1.433 4.984 0 C-N-CA 123.81 3.007 . . . . 0.0 114.319 177.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt -98.52 -43.44 6.87 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 123.355 0.662 . . . . 0.0 112.426 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.56 -35.57 58.13 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 125.232 1.413 . . . . 0.0 112.257 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -31.97 68.57 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 124.663 1.185 . . . . 0.0 111.027 178.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -69.04 -37.38 78.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 124.802 1.314 . . . . 0.0 111.683 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.0 m -71.4 -41.21 69.87 Favored 'General case' 0 C--N 1.387 2.212 0 C-N-CA 123.598 0.759 . . . . 0.0 111.023 176.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -57.49 -44.7 85.15 Favored 'General case' 0 C--N 1.39 2.368 0 O-C-N 124.445 1.091 . . . . 0.0 112.277 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -65.37 -40.06 93.08 Favored 'General case' 0 C--N 1.396 2.614 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.506 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 3.7 m -69.67 -37.32 76.64 Favored 'General case' 0 C--N 1.377 1.767 0 CA-C-O 117.398 -1.287 . . . . 0.0 110.839 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.71 -30.54 71.49 Favored 'General case' 0 N--CA 1.509 2.504 0 C-N-CA 123.934 0.894 . . . . 0.0 111.889 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.58 -46.73 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.421 0 C-N-CA 125.251 1.421 . . . . 0.0 110.912 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.23 -28.07 64.97 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 123.632 0.773 . . . . 0.0 111.581 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 12' ' ' THR . . . -64.76 -39.97 94.51 Favored 'General case' 0 N--CA 1.513 2.683 0 C-N-CA 125.974 1.71 . . . . 0.0 110.546 170.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -71.65 -34.73 70.0 Favored 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 124.889 1.275 . . . . 0.0 111.299 176.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -61.47 -42.95 99.57 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 126.92 2.088 . . . . 0.0 112.22 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.78 -17.49 47.47 Favored 'General case' 0 N--CA 1.513 2.69 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mp -94.39 -13.63 26.11 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 126.137 1.775 . . . . 0.0 111.507 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.0 mt -110.01 -22.43 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.344 0 C-N-CA 124.923 1.289 . . . . 0.0 108.568 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -22.51 -86.05 0.01 OUTLIER Glycine 0 C--N 1.39 3.563 0 C-N-CA 128.48 2.943 . . . . 0.0 118.82 -175.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.47 -15.9 38.45 Favored 'Trans proline' 0 C--N 1.41 3.775 0 CA-C-N 121.448 2.624 . . . . 0.0 117.337 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.76 -41.86 64.62 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 -177.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.41 -13.97 57.66 Favored 'General case' 0 N--CA 1.511 2.597 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.8 m -84.58 -22.33 30.09 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 124.232 1.013 . . . . 0.0 110.598 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -105.22 -13.71 15.61 Favored 'General case' 0 N--CA 1.5 2.054 0 CA-C-N 113.57 -1.65 . . . . 0.0 112.193 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 61.4 76.07 0.38 Allowed 'General case' 0 N--CA 1.526 3.366 0 C-N-CA 127.903 2.481 . . . . 0.0 113.553 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -110.15 -124.84 0.27 Allowed 'General case' 0 CA--C 1.577 1.988 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.014 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.52 117.97 22.23 Favored 'General case' 0 C--N 1.383 2.05 0 CA-C-N 119.123 0.874 . . . . 0.0 111.063 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.3 m -116.1 104.83 51.85 Favored Pre-proline 0 C--N 1.387 2.207 0 CA-C-N 119.517 1.053 . . . . 0.0 111.513 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -70.72 -29.41 19.35 Favored 'Trans proline' 1 C--N 1.43 4.816 0 C-N-CA 123.393 2.729 . . . . 0.0 116.367 177.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -104.43 28.24 7.12 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 126.617 1.967 . . . . 0.0 114.369 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -75.82 108.36 8.63 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.7 100.55 11.54 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-N 120.327 1.421 . . . . 0.0 112.766 -176.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -85.19 -3.11 58.7 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-N 112.885 -1.961 . . . . 0.0 113.868 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -80.27 -30.55 38.39 Favored 'General case' 0 C--N 1.377 1.792 0 C-N-CA 122.991 0.517 . . . . 0.0 111.672 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.53 -1.29 44.32 Favored 'General case' 0 C--N 1.387 2.228 0 O-C-N 123.793 0.683 . . . . 0.0 112.515 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.51 153.97 35.96 Favored 'General case' 0 C--N 1.38 1.927 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.51 105.65 9.56 Favored 'General case' 0 C--N 1.382 2.012 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 173.13 176.38 0.11 Allowed 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 112.968 -1.924 . . . . 0.0 108.908 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -83.77 -38.77 20.89 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.28 83.4 0.06 OUTLIER Glycine 0 N--CA 1.509 3.565 0 N-CA-C 119.909 2.724 . . . . 0.0 119.909 170.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.23 -23.59 2.4 Favored 'General case' 0 CA--C 1.565 1.546 0 CA-C-N 119.518 1.659 . . . . 0.0 108.398 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.464 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 74.5 ttt180 -120.03 151.96 38.22 Favored 'General case' 0 C--N 1.394 2.537 0 C-N-CA 125.959 1.703 . . . . 0.0 110.573 -178.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.21 -17.48 62.51 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 124.089 0.956 . . . . 0.0 111.428 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.464 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.23 -42.93 95.63 Favored Glycine 0 C--N 1.389 3.481 0 C-N-CA 124.37 0.986 . . . . 0.0 114.397 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -75.34 -24.43 57.35 Favored 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 124.495 1.118 . . . . 0.0 112.387 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -81.95 -30.28 31.8 Favored 'General case' 0 N--CA 1.5 2.054 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.989 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.42 -38.0 56.22 Favored 'General case' 0 C--N 1.372 1.549 0 C-N-CA 125.311 1.445 . . . . 0.0 112.507 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -31.16 70.59 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 125.36 1.464 . . . . 0.0 111.326 177.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -78.97 -29.56 43.97 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 123.555 0.742 . . . . 0.0 109.854 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.13 -38.73 69.18 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 113.822 -1.535 . . . . 0.0 111.539 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.26 -40.53 94.07 Favored 'General case' 0 N--CA 1.507 2.387 0 C-N-CA 125.083 1.353 . . . . 0.0 110.635 174.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.68 -25.85 61.4 Favored 'General case' 0 C--N 1.38 1.897 0 C-N-CA 126.677 1.991 . . . . 0.0 113.684 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.9 m -78.74 -32.24 46.63 Favored 'General case' 0 N--CA 1.501 2.116 0 C-N-CA 123.499 0.719 . . . . 0.0 110.378 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.6 tp -73.2 -41.08 64.22 Favored 'General case' 0 C--N 1.383 2.054 0 C-N-CA 125.083 1.353 . . . . 0.0 110.574 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.6 p -71.02 -31.28 67.73 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 125.348 1.459 . . . . 0.0 113.393 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -76.33 -38.36 56.05 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 123.821 0.848 . . . . 0.0 113.019 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.39 -33.79 73.57 Favored 'General case' 0 C--N 1.389 2.318 0 C-N-CA 124.394 1.078 . . . . 0.0 111.44 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -34.14 77.28 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 126.38 1.872 . . . . 0.0 111.717 176.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.38 94.64 Favored 'General case' 0 C--N 1.39 2.363 0 C-N-CA 124.251 1.02 . . . . 0.0 111.93 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.33 -27.47 67.16 Favored 'General case' 0 C--N 1.395 2.571 0 C-N-CA 124.788 1.235 . . . . 0.0 112.951 174.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 76.9 t -64.34 -40.19 88.18 Favored 'Isoleucine or valine' 0 C--N 1.382 1.986 0 C-N-CA 125.671 1.588 . . . . 0.0 108.597 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -67.63 -15.82 63.85 Favored 'General case' 0 N--CA 1.508 2.448 0 C-N-CA 126.13 1.772 . . . . 0.0 112.386 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -80.28 -38.72 30.26 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 171.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.98 30.02 3.11 Favored Glycine 0 C--N 1.38 2.976 0 N-CA-C 116.295 1.278 . . . . 0.0 116.295 171.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.13 112.54 24.06 Favored 'General case' 0 C--N 1.376 1.742 0 CA-C-O 121.906 0.86 . . . . 0.0 109.851 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.88 -27.74 64.03 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 113.16 -1.836 . . . . 0.0 112.965 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.45 -30.79 63.42 Favored 'General case' 0 CA--C 1.578 2.023 0 C-N-CA 123.415 0.686 . . . . 0.0 112.137 176.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -77.91 -22.7 49.27 Favored 'General case' 0 C--N 1.394 2.517 0 C-N-CA 124.263 1.025 . . . . 0.0 112.057 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.5 t -76.84 -48.36 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 126.168 1.787 . . . . 0.0 109.508 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.53 84.64 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 127.479 2.312 . . . . 0.0 112.512 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.92 -44.75 95.22 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 125.358 1.463 . . . . 0.0 109.086 172.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.12 -39.56 94.29 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 124.671 1.232 . . . . 0.0 111.188 174.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.36 95.05 Favored 'General case' 0 N--CA 1.513 2.721 0 C-N-CA 125.198 1.399 . . . . 0.0 112.585 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -70.19 -36.74 74.82 Favored 'General case' 0 N--CA 1.519 3.009 0 C-N-CA 126.069 1.748 . . . . 0.0 110.704 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.4 -29.48 64.97 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 125.667 1.587 . . . . 0.0 110.653 173.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.43 -45.7 65.35 Favored 'General case' 0 CA--C 1.573 1.843 0 C-N-CA 124.806 1.242 . . . . 0.0 111.781 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.29 -39.76 81.99 Favored 'General case' 0 C--N 1.387 2.235 0 C-N-CA 125.097 1.359 . . . . 0.0 112.823 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.02 -36.69 82.69 Favored 'General case' 0 C--N 1.387 2.211 0 C-N-CA 126.003 1.721 . . . . 0.0 112.082 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -74.1 -27.58 60.95 Favored 'General case' 0 C--N 1.376 1.728 0 C-N-CA 123.719 0.807 . . . . 0.0 112.627 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 32.8 mt -62.95 -46.03 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.463 0 O-C-N 123.504 0.502 . . . . 0.0 109.734 175.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.71 -44.73 80.89 Favored 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 124.507 1.123 . . . . 0.0 112.182 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.77 -44.23 56.66 Favored 'General case' 0 C--N 1.378 1.832 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -177.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -85.58 -44.38 12.69 Favored 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -175.257 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.474 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 35.0 mt-30 -67.62 -38.67 84.24 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 123.927 0.767 . . . . 0.0 112.661 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -79.07 -39.02 34.9 Favored 'General case' 0 C--N 1.388 2.268 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -73.3 -31.19 63.89 Favored 'General case' 0 N--CA 1.514 2.768 0 CA-C-N 118.791 0.723 . . . . 0.0 110.627 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 86' ' ' LEU . . . -74.74 -29.15 61.07 Favored 'General case' 0 C--N 1.386 2.171 0 C-N-CA 123.775 0.83 . . . . 0.0 109.372 174.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.474 ' HB1' ' O ' ' A' ' 87' ' ' GLN . . . -70.26 -30.67 67.78 Favored 'General case' 0 C--N 1.412 3.299 0 C-N-CA 125.051 1.34 . . . . 0.0 114.411 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.1 p -88.66 -21.32 24.0 Favored 'General case' 0 N--CA 1.503 2.175 0 CA-C-N 119.648 1.113 . . . . 0.0 110.114 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.7 -16.84 59.4 Favored 'General case' 0 C--N 1.386 2.154 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.231 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 38.9 p -61.84 -29.28 70.07 Favored 'General case' 0 C--N 1.405 2.992 0 C-N-CA 125.717 1.607 . . . . 0.0 113.679 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.15 -30.48 71.54 Favored 'General case' 0 N--CA 1.506 2.329 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.34 -34.63 72.88 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 124.156 0.982 . . . . 0.0 110.811 176.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -105.54 32.59 4.2 Favored 'General case' 0 CA--C 1.585 2.302 0 C-N-CA 126.869 2.067 . . . . 0.0 113.548 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -123.44 0.92 8.93 Favored 'General case' 0 N--CA 1.503 2.214 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -177.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -110.9 -89.53 0.5 Allowed 'General case' 0 N--CA 1.5 2.029 0 CA-C-N 111.101 -2.772 . . . . 0.0 117.198 -175.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -110.98 -24.05 10.6 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 124.787 1.235 . . . . 0.0 110.288 -175.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.08 -10.57 58.63 Favored 'General case' 0 C--N 1.366 1.297 0 CA-C-N 112.323 -2.217 . . . . 0.0 113.676 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -47.09 -44.65 21.4 Favored 'General case' 0 N--CA 1.51 2.547 0 C-N-CA 126.539 1.936 . . . . 0.0 115.753 -172.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mt -73.38 -55.06 3.8 Favored Pre-proline 0 CA--C 1.6 2.883 0 CA-C-O 116.313 -1.803 . . . . 0.0 114.253 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -84.59 -3.07 9.95 Favored 'Trans proline' 1 C--N 1.446 5.706 0 C-N-CA 122.838 2.359 . . . . 0.0 116.77 177.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -119.58 2.01 13.85 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-O 119.333 -0.704 . . . . 0.0 113.852 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -92.2 -9.53 61.91 Favored Glycine 0 C--N 1.373 2.593 0 C-N-CA 123.799 0.714 . . . . 0.0 114.265 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -97.44 -27.67 14.35 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 125.01 1.324 . . . . 0.0 111.371 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.8 mt -72.92 -38.48 66.83 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 124.37 1.068 . . . . 0.0 111.554 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -71.93 -28.17 63.29 Favored 'General case' 0 C--N 1.384 2.068 0 C-N-CA 124.687 1.195 . . . . 0.0 109.287 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.29 78.75 Favored 'General case' 0 C--N 1.388 2.282 0 C-N-CA 125.586 1.554 . . . . 0.0 110.895 174.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.596 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 4.3 mpt_? -77.56 -50.47 12.51 Favored 'General case' 0 C--N 1.393 2.494 0 C-N-CA 123.607 0.763 . . . . 0.0 110.268 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mp -58.59 -61.0 2.93 Favored 'General case' 0 CA--C 1.593 2.613 0 O-C-N 124.092 0.87 . . . . 0.0 113.315 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.36 -47.63 8.64 Favored 'General case' 0 C--N 1.384 2.085 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -72.32 -36.52 68.89 Favored 'General case' 0 N--CA 1.513 2.694 0 N-CA-C 114.49 1.292 . . . . 0.0 114.49 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.596 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 7.0 m-85 -70.57 -39.22 74.03 Favored 'General case' 0 C--N 1.391 2.402 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.144 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -69.75 -35.49 75.01 Favored 'General case' 0 C--N 1.397 2.649 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -64.13 -40.92 97.21 Favored 'General case' 0 N--CA 1.523 3.218 0 C-N-CA 124.765 1.226 . . . . 0.0 113.791 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -68.63 -35.94 77.97 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 124.418 1.087 . . . . 0.0 112.281 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.51 -36.3 80.78 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 125.068 1.347 . . . . 0.0 112.148 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -64.47 -41.27 96.6 Favored 'General case' 0 N--CA 1.509 2.48 0 C-N-CA 125.435 1.494 . . . . 0.0 114.563 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -73.52 -40.16 64.25 Favored 'General case' 0 N--CA 1.507 2.394 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.29 -32.65 71.41 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 123.344 0.403 . . . . 0.0 110.252 173.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.83 -32.96 70.18 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 125.081 1.352 . . . . 0.0 112.726 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.44 -38.05 83.92 Favored 'General case' 0 C--N 1.404 2.963 0 C-N-CA 125.314 1.446 . . . . 0.0 111.557 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.75 -38.55 91.38 Favored 'General case' 0 C--N 1.392 2.438 0 O-C-N 125.064 1.478 . . . . 0.0 110.726 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -69.55 -38.38 77.43 Favored 'General case' 0 C--N 1.383 2.036 0 C-N-CA 125.158 1.383 . . . . 0.0 110.854 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -73.64 -46.3 47.59 Favored 'General case' 0 N--CA 1.511 2.611 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.03 -40.73 78.43 Favored 'General case' 0 N--CA 1.514 2.771 0 C-N-CA 124.463 1.105 . . . . 0.0 113.209 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.51 -35.33 77.33 Favored 'General case' 0 C--N 1.383 2.024 0 C-N-CA 124.369 1.068 . . . . 0.0 111.829 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.649 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 24.9 tt0 -72.74 -26.2 61.48 Favored 'General case' 0 C--N 1.384 2.099 0 CA-C-O 118.075 -0.964 . . . . 0.0 113.164 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -71.28 -53.36 14.57 Favored 'General case' 0 C--O 1.276 2.473 0 CA-C-N 119.133 0.879 . . . . 0.0 113.21 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.22 -34.41 65.89 Favored 'General case' 0 C--N 1.388 2.246 0 CA-C-N 113.661 -1.609 . . . . 0.0 112.353 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -88.1 -12.02 45.36 Favored 'General case' 0 CA--C 1.575 1.933 0 C-N-CA 124.263 1.025 . . . . 0.0 113.065 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 130' ' ' GLU . . . -63.06 -33.6 75.78 Favored 'General case' 0 N--CA 1.525 3.29 0 C-N-CA 125.011 1.325 . . . . 0.0 110.734 175.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.48 -15.85 63.89 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 125.628 1.571 . . . . 0.0 114.041 176.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -95.16 -29.06 14.74 Favored 'General case' 0 C--N 1.39 2.34 0 C-N-CA 124.336 1.055 . . . . 0.0 109.766 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 51.28 25.44 2.5 Favored 'General case' 0 N--CA 1.523 3.21 0 C-N-CA 128.305 2.642 . . . . 0.0 117.087 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.408 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 3.0 m-20 -86.58 146.58 41.98 Favored Pre-proline 0 CA--C 1.586 2.338 0 CA-C-O 118.565 -0.731 . . . . 0.0 112.301 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.27 -12.03 12.18 Favored 'Trans proline' 1 C--N 1.43 4.851 0 C-N-CA 124.47 3.447 . . . . 0.0 118.077 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -71.24 -31.22 67.28 Favored 'General case' 0 N--CA 1.531 3.599 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -175.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.507 ' O ' HD12 ' A' ' 145' ' ' ILE . 0.0 OUTLIER -78.17 -30.28 49.03 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 125.824 1.65 . . . . 0.0 110.288 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.32 -32.96 70.94 Favored 'General case' 0 C--N 1.391 2.399 0 C-N-CA 124.908 1.283 . . . . 0.0 110.041 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -71.35 -33.83 69.95 Favored 'General case' 0 CA--C 1.578 2.044 0 C-N-CA 123.806 0.842 . . . . 0.0 110.768 174.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.98 -44.03 66.82 Favored 'General case' 0 N--CA 1.515 2.78 0 C-N-CA 125.273 1.429 . . . . 0.0 114.591 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.507 HD12 ' O ' ' A' ' 141' ' ' LEU . 3.0 mt -68.76 -42.0 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.318 0 C-N-CA 125.248 1.419 . . . . 0.0 109.852 177.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.4 m -60.86 -40.32 92.48 Favored 'General case' 0 CA--C 1.587 2.383 0 C-N-CA 125.915 1.686 . . . . 0.0 111.324 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.93 94.51 Favored 'General case' 0 N--CA 1.51 2.572 0 C-N-CA 124.933 1.293 . . . . 0.0 112.341 176.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.5 -29.37 63.56 Favored 'General case' 0 C--N 1.384 2.07 0 C-N-CA 125.194 1.398 . . . . 0.0 111.558 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -34.92 78.17 Favored 'General case' 0 C--N 1.39 2.329 0 C-N-CA 126.009 1.724 . . . . 0.0 112.641 177.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -74.6 -34.94 62.94 Favored 'General case' 0 C--N 1.389 2.296 0 C-N-CA 125.166 1.386 . . . . 0.0 109.928 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -70.44 -33.96 71.91 Favored 'General case' 0 C--N 1.387 2.209 0 C-N-CA 125.713 1.605 . . . . 0.0 112.537 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.76 -40.4 97.15 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 124.58 1.152 . . . . 0.0 109.873 174.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.0 p -77.93 -39.94 41.22 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -71.86 -35.35 69.78 Favored 'General case' 0 N--CA 1.513 2.72 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 90.7 m -72.17 -38.11 69.2 Favored 'General case' 0 C--N 1.38 1.908 0 C-N-CA 123.793 0.837 . . . . 0.0 111.295 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -37.84 88.9 Favored 'General case' 0 CA--C 1.588 2.423 0 C-N-CA 125.175 1.39 . . . . 0.0 112.768 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.8 m -71.38 -42.67 68.11 Favored 'General case' 0 CA--C 1.579 2.085 0 C-N-CA 125.258 1.423 . . . . 0.0 112.027 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.94 88.44 Favored 'General case' 0 C--N 1.38 1.93 0 C-N-CA 125.966 1.707 . . . . 0.0 113.534 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 39.3 mt -69.54 -39.6 78.64 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.264 0 C-N-CA 125.586 1.555 . . . . 0.0 110.429 176.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.51 95.02 Favored 'General case' 0 C--N 1.387 2.219 0 C-N-CA 124.728 1.211 . . . . 0.0 113.912 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.1 -39.57 86.74 Favored 'General case' 0 N--CA 1.515 2.811 0 C-N-CA 125.064 1.346 . . . . 0.0 113.453 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 13.0 p -70.3 -30.45 67.45 Favored 'General case' 0 N--CA 1.507 2.423 0 C-N-CA 124.289 1.035 . . . . 0.0 112.253 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -74.25 -26.92 60.5 Favored 'General case' 0 C--N 1.381 1.963 0 C-N-CA 124.637 1.175 . . . . 0.0 112.224 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.83 -38.16 79.66 Favored 'General case' 0 N--CA 1.515 2.805 0 C-N-CA 124.974 1.31 . . . . 0.0 112.591 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.26 -32.94 70.99 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.511 1.124 . . . . 0.0 110.18 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.8 -28.75 63.81 Favored 'General case' 0 C--N 1.388 2.256 0 C-N-CA 125.33 1.452 . . . . 0.0 111.759 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -71.79 -26.3 62.36 Favored 'General case' 0 C--N 1.384 2.074 0 C-N-CA 125.33 1.452 . . . . 0.0 113.132 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.23 -18.58 38.7 Favored 'General case' 0 CA--C 1.575 1.937 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -179.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.7 22.62 5.75 Favored 'Isoleucine or valine' 0 C--N 1.373 1.627 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 47.8 m -56.9 -40.67 76.69 Favored 'General case' 0 C--N 1.375 1.694 0 CA-C-N 113.096 -1.865 . . . . 0.0 109.915 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 . . . . . 0 N--CA 1.495 1.801 0 CA-C-N 113.881 -1.509 . . . . 0.0 111.702 -179.523 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 mtt . . . . . 0 N--CA 1.499 2.016 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -112.14 125.4 54.08 Favored 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 124.011 0.924 . . . . 0.0 111.542 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.03 133.82 25.63 Favored Pre-proline 0 N--CA 1.497 1.915 0 C-N-CA 123.928 0.891 . . . . 0.0 111.301 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -64.88 119.07 6.02 Favored 'Trans proline' 1 C--N 1.433 5.001 0 C-N-CA 123.422 2.748 . . . . 0.0 114.998 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mt -99.42 -47.58 5.09 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 123.51 0.724 . . . . 0.0 111.74 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.44 -37.23 52.06 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 125.249 1.419 . . . . 0.0 112.597 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -33.33 72.22 Favored 'General case' 0 C--N 1.379 1.873 0 C-N-CA 124.126 0.971 . . . . 0.0 110.39 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -68.49 -36.01 78.34 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 124.49 1.119 . . . . 0.0 111.675 177.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.7 m -72.96 -40.7 65.13 Favored 'General case' 0 C--N 1.38 1.925 0 C-N-CA 123.728 0.811 . . . . 0.0 110.902 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.36 -43.51 92.84 Favored 'General case' 0 C--N 1.389 2.321 0 O-C-N 124.362 1.039 . . . . 0.0 112.337 174.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -64.5 -40.43 95.63 Favored 'General case' 0 C--N 1.401 2.834 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 2.1 m -69.94 -36.08 75.01 Favored 'General case' 0 C--N 1.377 1.788 0 CA-C-O 117.828 -1.082 . . . . 0.0 110.755 178.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -63.18 -29.56 70.88 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 124.003 0.921 . . . . 0.0 111.836 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.4 t -76.08 -47.52 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.425 0 C-N-CA 125.837 1.655 . . . . 0.0 111.14 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.46 -29.18 66.8 Favored 'General case' 0 N--CA 1.506 2.327 0 CA-C-N 119.008 0.822 . . . . 0.0 111.66 175.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 12' ' ' THR . . . -66.13 -40.5 90.68 Favored 'General case' 0 N--CA 1.514 2.768 0 C-N-CA 125.379 1.471 . . . . 0.0 110.586 172.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.91 -34.42 66.62 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 124.336 1.055 . . . . 0.0 110.884 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -59.7 -42.04 92.1 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 127.064 2.145 . . . . 0.0 111.548 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.39 -15.49 59.93 Favored 'General case' 0 N--CA 1.501 2.125 0 C-N-CA 124.999 1.319 . . . . 0.0 114.019 177.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.4 -20.16 17.3 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 124.209 1.004 . . . . 0.0 109.433 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.6 14.54 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 C-N-CA 126.911 2.084 . . . . 0.0 112.45 178.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.78 -74.23 0.47 Allowed Glycine 0 N--CA 1.493 2.441 0 CA-C-O 116.831 -2.094 . . . . 0.0 113.995 -172.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -67.11 -0.72 5.15 Favored 'Trans proline' 1 C--N 1.416 4.113 0 CA-C-N 121.734 2.767 . . . . 0.0 115.41 177.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 mt -88.49 -14.57 37.48 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 125.664 1.586 . . . . 0.0 112.6 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.21 96.52 Favored 'General case' 0 N--CA 1.51 2.565 0 C-N-CA 126.905 2.082 . . . . 0.0 116.028 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.18 -33.68 13.21 Favored 'General case' 0 C--N 1.379 1.859 0 C-N-CA 124.335 1.054 . . . . 0.0 110.454 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -114.13 101.37 9.15 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 114.194 -1.366 . . . . 0.0 111.616 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -91.75 119.53 31.67 Favored 'General case' 0 N--CA 1.503 2.219 0 C-N-CA 123.346 0.659 . . . . 0.0 111.964 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -121.93 -80.87 0.63 Allowed 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.587 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.6 110.55 4.78 Favored 'General case' 0 C--N 1.383 2.059 0 C-N-CA 123.932 0.893 . . . . 0.0 110.659 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.5 m -115.95 105.75 50.77 Favored Pre-proline 0 C--N 1.388 2.251 0 CA-C-N 118.983 0.811 . . . . 0.0 110.76 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -66.12 -34.74 36.06 Favored 'Trans proline' 1 C--N 1.429 4.811 0 C-N-CA 123.851 3.034 . . . . 0.0 116.383 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -104.1 29.45 5.93 Favored 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 126.867 2.067 . . . . 0.0 114.111 -177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -53.64 108.4 0.34 Allowed 'General case' 0 N--CA 1.503 2.211 0 CA-C-O 122.926 1.346 . . . . 0.0 112.859 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.78 54.79 1.8 Allowed 'General case' 0 C--O 1.248 0.975 0 CA-C-N 112.293 -2.23 . . . . 0.0 108.683 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -87.22 -2.13 58.4 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 112.194 -2.275 . . . . 0.0 113.148 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -79.49 -15.22 58.14 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.32 1.048 . . . . 0.0 111.253 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.35 -5.46 59.15 Favored 'General case' 0 C--N 1.39 2.354 0 C-N-CA 123.928 0.891 . . . . 0.0 112.239 176.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.62 158.02 28.29 Favored 'General case' 0 C--N 1.377 1.802 0 C-N-CA 126.136 1.775 . . . . 0.0 108.046 177.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.44 108.9 14.67 Favored 'General case' 0 C--N 1.381 1.953 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.2 t -160.5 163.57 32.77 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 112.101 -2.318 . . . . 0.0 107.674 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -106.12 -26.03 11.78 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.946 0.898 . . . . 0.0 111.441 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.25 83.81 1.66 Allowed Glycine 0 N--CA 1.499 2.835 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.64 -48.18 1.16 Allowed 'General case' 0 C--N 1.377 1.797 0 CA-C-N 117.585 0.693 . . . . 0.0 109.993 -175.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.469 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 66.0 ttt180 -175.3 171.22 2.94 Favored 'General case' 0 C--N 1.407 3.099 0 C-N-CA 127.867 2.467 . . . . 0.0 111.07 -173.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mt -67.36 -23.74 65.63 Favored 'General case' 0 N--CA 1.538 3.951 0 C-N-CA 125.099 1.36 . . . . 0.0 109.976 170.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.469 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.99 -38.16 92.48 Favored Glycine 0 N--CA 1.502 3.051 0 C-N-CA 125.839 1.685 . . . . 0.0 115.076 177.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -41.15 73.35 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 123.28 0.632 . . . . 0.0 111.807 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -62.74 -34.8 77.93 Favored 'General case' 0 N--CA 1.508 2.448 0 O-C-N 124.674 1.234 . . . . 0.0 111.647 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.72 -40.24 49.31 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.473 1.509 . . . . 0.0 114.074 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -31.16 68.43 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 125.118 1.367 . . . . 0.0 111.594 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -80.99 -29.15 35.28 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 123.871 0.868 . . . . 0.0 109.6 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.96 -38.42 66.73 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.299 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.49 -39.45 85.21 Favored 'General case' 0 CA--C 1.577 2.017 0 C-N-CA 124.95 1.3 . . . . 0.0 110.388 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -71.85 -24.63 61.72 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 126.808 2.043 . . . . 0.0 112.753 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.28 -32.04 43.53 Favored 'General case' 0 C--N 1.38 1.926 0 C-N-CA 123.5 0.72 . . . . 0.0 109.214 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.8 tp -72.0 -40.48 68.49 Favored 'General case' 0 C--N 1.382 2.017 0 C-N-CA 125.802 1.641 . . . . 0.0 110.774 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.4 p -70.42 -32.08 69.55 Favored 'General case' 0 N--CA 1.508 2.452 0 C-N-CA 125.255 1.422 . . . . 0.0 113.144 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -75.3 -33.9 61.24 Favored 'General case' 0 N--CA 1.509 2.488 0 C-N-CA 123.719 0.808 . . . . 0.0 112.899 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -71.33 -30.38 66.12 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 124.689 1.196 . . . . 0.0 111.454 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.564 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -69.46 -32.94 72.17 Favored 'General case' 0 C--N 1.385 2.135 0 C-N-CA 125.777 1.631 . . . . 0.0 111.497 176.584 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.42 -41.55 96.53 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 124.237 1.015 . . . . 0.0 110.502 177.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.71 -29.67 68.98 Favored 'General case' 0 C--N 1.394 2.514 0 C-N-CA 125.716 1.607 . . . . 0.0 115.124 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 61' ' ' GLU . 21.0 m -69.57 -30.2 44.3 Favored 'Isoleucine or valine' 0 C--N 1.394 2.529 0 CA-C-O 121.952 0.882 . . . . 0.0 111.646 178.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -70.27 -12.4 61.56 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 112.415 -2.175 . . . . 0.0 111.612 172.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -88.42 -38.19 15.26 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 107.84 -1.171 . . . . 0.0 107.84 172.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.01 35.3 1.52 Allowed Glycine 0 C--N 1.386 3.311 0 N-CA-C 116.909 1.523 . . . . 0.0 116.909 171.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.25 107.18 19.59 Favored 'General case' 0 C--N 1.374 1.643 0 CA-C-O 121.738 0.78 . . . . 0.0 109.12 177.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.32 -21.63 61.3 Favored 'General case' 0 N--CA 1.504 2.225 0 CA-C-N 113.738 -1.574 . . . . 0.0 112.599 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.5 m -71.29 -37.47 71.85 Favored 'General case' 0 CA--C 1.571 1.778 0 C-N-CA 125.169 1.388 . . . . 0.0 110.102 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.74 -22.34 58.85 Favored 'General case' 0 C--N 1.394 2.518 0 C-N-CA 124.678 1.191 . . . . 0.0 111.898 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.0 t -74.96 -50.27 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 126.473 1.909 . . . . 0.0 109.313 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.98 85.45 Favored 'General case' 0 C--N 1.379 1.855 0 C-N-CA 126.838 2.055 . . . . 0.0 113.052 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -64.39 -43.66 93.76 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 126.472 1.909 . . . . 0.0 110.442 174.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.48 -35.55 68.21 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.214 1.005 . . . . 0.0 110.81 176.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.07 92.6 Favored 'General case' 0 N--CA 1.511 2.589 0 C-N-CA 124.312 1.045 . . . . 0.0 112.594 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.79 -38.26 73.36 Favored 'General case' 0 N--CA 1.516 2.831 0 C-N-CA 125.697 1.599 . . . . 0.0 111.781 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -71.11 -29.37 65.17 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 125.512 1.525 . . . . 0.0 110.439 174.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.5 -45.54 68.66 Favored 'General case' 0 C--N 1.378 1.811 0 C-N-CA 124.226 1.01 . . . . 0.0 112.009 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.01 82.62 Favored 'General case' 0 C--N 1.385 2.14 0 C-N-CA 124.88 1.272 . . . . 0.0 113.2 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.66 -38.07 83.27 Favored 'General case' 0 C--N 1.389 2.286 0 C-N-CA 125.864 1.665 . . . . 0.0 112.538 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -73.35 -27.49 61.52 Favored 'General case' 0 C--N 1.376 1.719 0 C-N-CA 123.882 0.873 . . . . 0.0 112.861 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.49 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 33.4 mt -63.6 -45.63 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.445 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 175.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.68 -45.14 83.98 Favored 'General case' 0 N--CA 1.505 2.287 0 C-N-CA 124.446 1.098 . . . . 0.0 112.303 -178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.56 -45.5 52.99 Favored 'General case' 0 C--N 1.379 1.858 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 6.9 mp -85.56 -42.12 14.67 Favored 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 115.705 1.742 . . . . 0.0 115.705 -175.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.541 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 2.1 mt-30 -67.48 -38.31 84.2 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-O 118.871 -0.585 . . . . 0.0 111.982 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -79.07 -41.51 28.55 Favored 'General case' 0 CA--C 1.586 2.343 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -71.95 -35.77 69.69 Favored 'General case' 0 N--CA 1.516 2.868 0 C-N-CA 123.489 0.716 . . . . 0.0 110.761 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -73.43 -29.09 62.34 Favored 'General case' 0 C--N 1.384 2.105 0 C-N-CA 124.007 0.923 . . . . 0.0 110.175 175.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -68.89 -35.88 77.41 Favored 'General case' 0 C--N 1.411 3.255 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -84.31 -21.16 31.1 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 119.897 1.226 . . . . 0.0 110.396 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.47 -33.28 66.9 Favored 'General case' 0 C--N 1.388 2.256 0 CA-C-N 113.948 -1.478 . . . . 0.0 112.49 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.15 -9.12 59.03 Favored 'General case' 0 C--N 1.392 2.452 0 C-N-CA 124.168 0.987 . . . . 0.0 112.779 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mt -85.22 -32.34 22.68 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -81.51 -14.88 56.41 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 174.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -114.72 41.02 2.45 Favored 'General case' 0 C--N 1.384 2.087 0 C-N-CA 127.458 2.303 . . . . 0.0 113.589 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -124.94 1.42 8.02 Favored 'General case' 0 CA--C 1.578 2.021 0 N-CA-C 104.642 -2.355 . . . . 0.0 104.642 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -99.97 -91.32 0.3 Allowed 'General case' 0 C--N 1.379 1.866 0 CA-C-N 111.833 -2.439 . . . . 0.0 117.103 -176.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -113.7 -24.91 8.93 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 125.241 1.416 . . . . 0.0 110.134 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.08 -12.79 58.05 Favored 'General case' 0 C--N 1.366 1.291 0 CA-C-N 111.842 -2.435 . . . . 0.0 114.696 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -54.98 -38.29 67.64 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -171.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mt -69.86 -52.81 12.72 Favored Pre-proline 0 CA--C 1.594 2.639 0 CA-C-O 116.403 -1.76 . . . . 0.0 113.046 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -79.63 3.32 7.64 Favored 'Trans proline' 1 C--N 1.45 5.893 0 C-N-CA 123.15 2.567 . . . . 0.0 114.786 173.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -162.55 92.57 0.11 Allowed Glycine 0 C--N 1.357 1.701 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -178.07 -41.52 0.07 OUTLIER Glycine 0 N--CA 1.471 0.985 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -69.19 -34.7 75.32 Favored 'General case' 0 N--CA 1.507 2.403 0 C-N-CA 125.861 1.664 . . . . 0.0 110.615 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 72.8 mt -71.04 -28.68 64.56 Favored 'General case' 0 C--N 1.384 2.1 0 C-N-CA 126.366 1.866 . . . . 0.0 111.684 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -69.31 -33.3 72.96 Favored 'General case' 0 C--N 1.379 1.891 0 C-N-CA 124.6 1.16 . . . . 0.0 110.957 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.17 -38.29 87.71 Favored 'General case' 0 C--N 1.393 2.469 0 C-N-CA 126.083 1.753 . . . . 0.0 111.164 174.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 7.5 mpt_? -71.88 -48.78 43.38 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 124.438 1.095 . . . . 0.0 111.029 175.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.95 -60.84 2.91 Favored 'General case' 0 CA--C 1.604 3.031 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.67 -43.3 18.72 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 41.8 mt-10 -72.15 -32.65 67.08 Favored 'General case' 0 N--CA 1.51 2.525 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.0 m-85 -67.2 -40.0 86.42 Favored 'General case' 0 C--N 1.394 2.509 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.693 177.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -66.5 -39.33 88.66 Favored 'General case' 0 C--N 1.393 2.472 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.63 -42.59 86.5 Favored 'General case' 0 N--CA 1.522 3.168 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -69.61 -36.51 76.25 Favored 'General case' 0 N--CA 1.507 2.379 0 C-N-CA 124.324 1.05 . . . . 0.0 112.387 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -70.96 -27.73 63.95 Favored 'General case' 0 C--N 1.38 1.928 0 C-N-CA 124.952 1.301 . . . . 0.0 112.078 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -66.6 -45.55 78.82 Favored 'General case' 0 N--CA 1.506 2.36 0 C-N-CA 125.643 1.577 . . . . 0.0 114.33 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -72.88 -39.24 66.6 Favored 'General case' 0 N--CA 1.511 2.621 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 176.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.24 -33.16 71.9 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 123.779 0.674 . . . . 0.0 110.354 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.83 -33.9 71.14 Favored 'General case' 0 C--N 1.38 1.9 0 C-N-CA 125.111 1.364 . . . . 0.0 112.535 175.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.75 92.04 Favored 'General case' 0 C--N 1.41 3.196 0 C-N-CA 125.61 1.564 . . . . 0.0 111.639 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.38 -38.96 92.87 Favored 'General case' 0 C--N 1.388 2.26 0 O-C-N 125.081 1.488 . . . . 0.0 110.42 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -69.5 -36.51 76.56 Favored 'General case' 0 C--N 1.388 2.265 0 C-N-CA 124.863 1.265 . . . . 0.0 110.361 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -65.54 -37.74 87.59 Favored 'General case' 0 C--N 1.398 2.691 0 C-N-CA 125.12 1.368 . . . . 0.0 114.341 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.12 -40.01 82.62 Favored 'General case' 0 N--CA 1.509 2.492 0 C-N-CA 124.297 1.039 . . . . 0.0 111.614 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -76.04 -23.01 55.09 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 124.579 1.152 . . . . 0.0 112.532 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -71.92 -34.62 69.23 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 125.534 1.533 . . . . 0.0 111.021 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -66.92 -39.19 87.3 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 124.94 1.296 . . . . 0.0 110.385 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -69.41 -36.55 76.83 Favored 'General case' 0 C--N 1.389 2.303 0 C-N-CA 125.125 1.37 . . . . 0.0 111.894 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -69.23 -35.69 76.42 Favored 'General case' 0 C--N 1.394 2.533 0 C-N-CA 124.765 1.226 . . . . 0.0 111.748 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.6 91.67 Favored 'General case' 0 CA--C 1.571 1.757 0 C-N-CA 125.174 1.39 . . . . 0.0 113.43 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -90.51 -39.31 12.66 Favored 'General case' 0 C--N 1.385 2.143 0 N-CA-C 116.312 1.967 . . . . 0.0 116.312 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -107.39 -30.33 8.74 Favored 'General case' 0 C--N 1.395 2.56 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -174.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 39.6 m80 56.35 28.4 13.42 Favored 'General case' 0 N--CA 1.531 3.601 0 C-N-CA 127.444 2.297 . . . . 0.0 116.349 -178.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.16 142.23 59.06 Favored Pre-proline 0 N--CA 1.503 2.189 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.49 -14.44 35.19 Favored 'Trans proline' 1 C--N 1.435 5.124 0 C-N-CA 124.199 3.266 . . . . 0.0 116.619 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -69.34 -37.53 77.71 Favored 'General case' 0 N--CA 1.529 3.48 0 C-N-CA 124.653 1.181 . . . . 0.0 113.218 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.445 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -78.36 -29.74 47.62 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 126.505 1.922 . . . . 0.0 109.858 -179.398 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.53 76.14 Favored 'General case' 0 C--N 1.377 1.803 0 C-N-CA 126.801 2.041 . . . . 0.0 110.108 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.02 -34.06 72.79 Favored 'General case' 0 C--N 1.379 1.881 0 C-N-CA 124.223 1.009 . . . . 0.0 110.644 173.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.27 -42.55 65.44 Favored 'General case' 0 N--CA 1.512 2.654 0 C-N-CA 125.311 1.444 . . . . 0.0 114.538 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.7 mt -67.56 -42.72 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.282 0 C-N-CA 125.082 1.353 . . . . 0.0 109.117 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.5 m -62.54 -42.09 99.31 Favored 'General case' 0 CA--C 1.589 2.454 0 C-N-CA 125.945 1.698 . . . . 0.0 111.467 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.46 94.79 Favored 'General case' 0 N--CA 1.514 2.741 0 C-N-CA 124.687 1.195 . . . . 0.0 112.131 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 22.9 mt -72.67 -27.62 62.21 Favored 'General case' 0 C--N 1.38 1.915 0 C-N-CA 125.156 1.383 . . . . 0.0 111.882 176.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -35.5 81.06 Favored 'General case' 0 C--N 1.392 2.425 0 C-N-CA 125.874 1.669 . . . . 0.0 112.182 177.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -75.28 -35.94 61.26 Favored 'General case' 0 C--N 1.389 2.32 0 C-N-CA 124.563 1.145 . . . . 0.0 109.994 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -71.12 -34.86 71.46 Favored 'General case' 0 C--N 1.387 2.196 0 C-N-CA 125.53 1.532 . . . . 0.0 112.744 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.37 -38.36 90.75 Favored 'General case' 0 C--N 1.379 1.864 0 C-N-CA 124.876 1.27 . . . . 0.0 109.985 174.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.3 p -76.9 -37.92 54.51 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 123.841 0.713 . . . . 0.0 112.377 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -71.28 -33.99 70.27 Favored 'General case' 0 N--CA 1.514 2.77 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 78.5 m -71.25 -38.78 71.91 Favored 'General case' 0 C--N 1.386 2.179 0 C-N-CA 123.935 0.894 . . . . 0.0 110.771 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -59.88 -37.15 78.52 Favored 'General case' 0 C--N 1.396 2.589 0 C-N-CA 125.772 1.629 . . . . 0.0 112.384 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 14.1 m -67.95 -40.52 83.22 Favored 'General case' 0 CA--C 1.58 2.134 0 C-N-CA 125.529 1.532 . . . . 0.0 110.515 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.25 -37.36 80.69 Favored 'General case' 0 C--N 1.381 1.947 0 C-N-CA 126.266 1.826 . . . . 0.0 112.677 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 34.3 mt -67.31 -41.75 86.84 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.01 0 C-N-CA 126.391 1.877 . . . . 0.0 110.091 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.64 97.45 Favored 'General case' 0 C--N 1.388 2.273 0 C-N-CA 124.771 1.228 . . . . 0.0 113.551 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.53 -39.66 85.04 Favored 'General case' 0 N--CA 1.515 2.782 0 C-N-CA 125.151 1.38 . . . . 0.0 113.585 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 14.8 p -71.38 -32.39 68.43 Favored 'General case' 0 N--CA 1.509 2.523 0 C-N-CA 124.436 1.095 . . . . 0.0 112.085 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -71.96 -29.09 63.9 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 124.673 1.189 . . . . 0.0 111.583 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.82 -32.13 70.4 Favored 'General case' 0 N--CA 1.512 2.632 0 C-N-CA 125.208 1.403 . . . . 0.0 112.088 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.17 72.39 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 124.936 1.294 . . . . 0.0 111.448 175.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 2.1 mp -78.22 -32.31 49.76 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 125.743 1.617 . . . . 0.0 112.044 177.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -71.57 -30.86 66.33 Favored 'General case' 0 N--CA 1.515 2.796 0 C-N-CA 126.158 1.783 . . . . 0.0 113.664 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -51.78 -45.11 63.67 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 127.955 2.502 . . . . 0.0 113.853 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -105.96 -165.64 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.693 0 C-N-CA 126.103 1.761 . . . . 0.0 108.204 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.52 36.06 2.27 Favored 'General case' 0 CA--C 1.564 1.503 0 CA-C-O 122.896 1.331 . . . . 0.0 107.71 173.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 . . . . . 0 N--CA 1.522 3.175 0 CA-C-N 111.912 -2.404 . . . . 0.0 113.584 177.447 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtt . . . . . 0 N--CA 1.496 1.87 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -110.76 120.57 42.82 Favored 'General case' 0 C--N 1.381 1.943 0 C-N-CA 123.684 0.793 . . . . 0.0 112.166 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.36 -52.84 0.04 OUTLIER Pre-proline 0 CA--C 1.586 2.333 0 CA-C-O 116.247 -1.835 . . . . 0.0 111.697 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -64.86 -21.34 64.42 Favored 'Trans proline' 1 C--N 1.454 6.115 0 C-N-CA 123.42 2.747 . . . . 0.0 116.85 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.96 -35.24 24.13 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 123.957 0.903 . . . . 0.0 111.548 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -36.21 53.57 Favored 'General case' 0 C--N 1.375 1.695 0 C-N-CA 125.338 1.455 . . . . 0.0 112.154 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -29.9 65.6 Favored 'General case' 0 C--N 1.378 1.847 0 C-N-CA 124.387 1.075 . . . . 0.0 110.295 177.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.52 -40.79 93.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 124.736 1.272 . . . . 0.0 111.75 176.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -70.08 -40.66 74.85 Favored 'General case' 0 C--N 1.387 2.209 0 C-N-CA 123.806 0.842 . . . . 0.0 110.984 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.33 -44.63 88.75 Favored 'General case' 0 C--N 1.386 2.164 0 O-C-N 124.409 1.068 . . . . 0.0 112.073 173.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -66.17 -39.28 89.64 Favored 'General case' 0 C--N 1.399 2.733 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 2.1 m -70.12 -38.73 75.64 Favored 'General case' 0 C--N 1.378 1.814 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.701 178.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -61.45 -32.87 72.86 Favored 'General case' 0 N--CA 1.503 2.189 0 C-N-CA 124.101 0.96 . . . . 0.0 111.756 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.2 t -75.12 -46.31 39.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 C-N-CA 125.526 1.53 . . . . 0.0 111.486 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -29.02 66.97 Favored 'General case' 0 N--CA 1.507 2.407 0 C-N-CA 124.058 0.943 . . . . 0.0 111.541 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 12' ' ' THR . . . -68.49 -39.54 81.27 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 125.609 1.564 . . . . 0.0 110.928 171.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.92 -39.19 69.65 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 124.612 1.165 . . . . 0.0 111.18 178.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -61.07 -38.59 86.77 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 126.973 2.109 . . . . 0.0 112.185 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.94 -30.76 67.15 Favored 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 123.421 0.688 . . . . 0.0 112.277 176.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.4 mp -79.33 -22.46 44.5 Favored 'General case' 0 N--CA 1.505 2.322 0 C-N-CA 125.636 1.574 . . . . 0.0 112.588 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.468 HG22 ' O ' ' A' ' 21' ' ' ILE . 38.7 mt -109.33 16.8 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.271 0 C-N-CA 128.089 2.556 . . . . 0.0 108.011 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.67 -76.03 0.33 Allowed Glycine 0 C--N 1.368 2.313 0 CA-C-O 116.835 -2.092 . . . . 0.0 113.786 -175.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -67.99 -2.1 8.15 Favored 'Trans proline' 0 C--N 1.412 3.914 0 CA-C-N 122.2 3.0 . . . . 0.0 116.842 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.64 -20.41 27.87 Favored 'General case' 0 N--CA 1.51 2.551 0 C-N-CA 125.201 1.4 . . . . 0.0 112.501 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.48 94.38 Favored 'General case' 0 N--CA 1.508 2.462 0 C-N-CA 128.257 2.623 . . . . 0.0 116.602 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -91.33 -20.67 21.61 Favored 'General case' 0 C--N 1.386 2.178 0 C-N-CA 124.986 1.315 . . . . 0.0 111.878 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -82.14 160.49 23.1 Favored 'General case' 0 N--CA 1.504 2.265 0 C-N-CA 124.711 1.204 . . . . 0.0 112.636 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.5 -28.49 67.05 Favored 'General case' 0 N--CA 1.514 2.731 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -85.09 130.74 34.56 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 123.945 0.898 . . . . 0.0 112.006 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -100.81 157.98 16.31 Favored 'General case' 0 CA--C 1.574 1.875 0 C-N-CA 124.085 0.954 . . . . 0.0 113.268 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 m -98.19 129.08 31.57 Favored Pre-proline 0 C--N 1.391 2.409 0 C-N-CA 123.821 0.848 . . . . 0.0 112.747 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -66.76 -10.84 29.64 Favored 'Trans proline' 1 C--N 1.433 4.985 0 C-N-CA 124.137 3.225 . . . . 0.0 116.704 178.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -105.56 4.97 30.96 Favored 'General case' 0 CA--C 1.578 2.031 0 C-N-CA 124.509 1.124 . . . . 0.0 112.67 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.36 112.05 6.38 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.27 1.028 . . . . 0.0 108.393 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.82 88.12 6.09 Favored 'General case' 0 C--N 1.371 1.514 0 C-N-CA 118.049 -1.461 . . . . 0.0 109.287 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -82.71 6.3 18.47 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 113.583 -1.644 . . . . 0.0 113.827 -176.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -79.62 -26.71 41.11 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 123.862 0.865 . . . . 0.0 110.454 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mt -100.03 -6.52 26.34 Favored 'General case' 0 C--N 1.391 2.412 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -119.43 155.26 32.35 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.57 109.16 13.43 Favored 'General case' 0 C--N 1.386 2.157 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.8 t -152.71 138.37 17.83 Favored 'General case' 0 C--O 1.252 1.218 0 CA-C-N 113.758 -1.564 . . . . 0.0 108.901 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -82.6 -31.52 28.87 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 113.927 -1.488 . . . . 0.0 112.889 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.84 79.3 1.33 Allowed Glycine 0 C--N 1.378 2.887 0 N-CA-C 107.557 -2.217 . . . . 0.0 107.557 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.9 -52.8 1.33 Allowed 'General case' 0 C--N 1.38 1.907 0 CA-C-O 121.083 0.468 . . . . 0.0 110.197 -173.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 45.4 ttt180 -175.88 173.18 2.34 Favored 'General case' 0 C--N 1.412 3.313 0 C-N-CA 126.891 2.076 . . . . 0.0 112.448 -174.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.02 -22.03 64.09 Favored 'General case' 0 N--CA 1.535 3.795 0 C-N-CA 125.779 1.632 . . . . 0.0 107.758 169.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.411 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.92 -34.39 78.24 Favored Glycine 0 C--N 1.38 2.99 0 C-N-CA 126.815 2.15 . . . . 0.0 114.443 176.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -21.07 57.79 Favored 'General case' 0 C--N 1.393 2.479 0 CA-C-N 117.65 0.725 . . . . 0.0 111.462 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -82.36 -31.88 29.57 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 114.495 -1.229 . . . . 0.0 110.764 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.44 -35.02 58.73 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 124.8 1.24 . . . . 0.0 111.707 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.45 -38.38 74.48 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 125.289 1.436 . . . . 0.0 111.176 176.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.32 -32.16 68.26 Favored 'General case' 0 C--N 1.388 2.281 0 C-N-CA 123.45 0.7 . . . . 0.0 111.604 177.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.04 71.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 125.229 1.581 . . . . 0.0 111.759 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.09 -36.41 72.19 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 123.389 0.676 . . . . 0.0 111.579 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -72.36 -26.28 61.85 Favored 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 125.59 1.556 . . . . 0.0 112.473 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.9 m -80.32 -29.32 38.09 Favored 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 123.799 0.84 . . . . 0.0 109.751 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mp -73.23 -41.99 63.09 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 125.268 1.427 . . . . 0.0 111.023 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.7 p -72.57 -34.98 67.84 Favored 'General case' 0 N--CA 1.506 2.354 0 C-N-CA 125.687 1.595 . . . . 0.0 113.608 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -77.25 -36.66 54.27 Favored 'General case' 0 N--CA 1.51 2.527 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.03 -30.77 65.52 Favored 'General case' 0 C--N 1.389 2.293 0 C-N-CA 124.811 1.244 . . . . 0.0 111.918 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.565 ' O ' HG23 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -68.79 -32.94 73.03 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 125.684 1.593 . . . . 0.0 111.965 176.447 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.75 -41.07 92.59 Favored 'General case' 0 C--N 1.382 2.01 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.748 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.72 -29.82 70.4 Favored 'General case' 0 C--N 1.395 2.553 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 175.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 61' ' ' GLU . 17.2 m -69.28 -30.71 46.94 Favored 'Isoleucine or valine' 0 C--N 1.391 2.405 0 CA-C-O 121.927 0.87 . . . . 0.0 111.331 178.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -74.62 -9.99 59.1 Favored 'General case' 0 CA--C 1.579 2.06 0 CA-C-N 112.462 -2.154 . . . . 0.0 111.52 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -94.48 -10.17 33.16 Favored 'General case' 0 N--CA 1.5 2.066 0 C-N-CA 125.233 1.413 . . . . 0.0 110.779 175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.65 39.3 8.28 Favored Glycine 0 C--N 1.38 3.007 0 N-CA-C 117.487 1.755 . . . . 0.0 117.487 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.28 93.9 5.06 Favored 'General case' 0 C--N 1.372 1.583 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 176.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.98 -22.42 61.43 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 113.535 -1.666 . . . . 0.0 112.3 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.5 m -70.52 -35.5 73.22 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 125.459 1.504 . . . . 0.0 109.811 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -76.23 -20.97 56.94 Favored 'General case' 0 C--N 1.391 2.407 0 C-N-CA 123.681 0.792 . . . . 0.0 111.603 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.9 t -74.48 -51.13 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 C-N-CA 126.54 1.936 . . . . 0.0 109.407 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.01 80.13 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 126.947 2.099 . . . . 0.0 112.71 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -46.24 87.35 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.151 1.38 . . . . 0.0 109.292 173.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.25 -39.01 92.11 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 124.589 1.18 . . . . 0.0 111.831 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.45 95.54 Favored 'General case' 0 N--CA 1.513 2.711 0 C-N-CA 124.487 1.115 . . . . 0.0 112.105 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.16 -37.92 75.32 Favored 'General case' 0 N--CA 1.516 2.829 0 C-N-CA 126.324 1.849 . . . . 0.0 111.366 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -72.0 -28.81 63.65 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 125.461 1.504 . . . . 0.0 110.714 174.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.91 -46.38 65.52 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 124.452 1.101 . . . . 0.0 111.693 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.05 -39.12 83.11 Favored 'General case' 0 C--N 1.386 2.186 0 C-N-CA 124.847 1.259 . . . . 0.0 112.669 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.41 85.89 Favored 'General case' 0 C--N 1.385 2.112 0 C-N-CA 125.999 1.72 . . . . 0.0 112.368 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -73.81 -27.35 61.08 Favored 'General case' 0 C--N 1.378 1.827 0 C-N-CA 123.779 0.832 . . . . 0.0 112.743 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 29.7 mt -62.94 -45.67 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.75 -43.09 94.42 Favored 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 124.893 1.277 . . . . 0.0 111.872 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.29 -42.77 62.03 Favored 'General case' 0 C--N 1.378 1.832 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.585 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 2.1 mm? -86.06 -44.52 12.22 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -175.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 10.4 mt-30 -66.69 -39.58 88.15 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 123.63 0.581 . . . . 0.0 112.115 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.33 -39.86 31.72 Favored 'General case' 0 C--N 1.386 2.167 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -76.35 -29.39 57.21 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 119.084 0.856 . . . . 0.0 110.841 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.585 ' HB1' ' O ' ' A' ' 86' ' ' LEU . . . -76.36 -26.67 55.91 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 124.192 0.997 . . . . 0.0 109.129 174.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -71.39 -31.93 67.85 Favored 'General case' 0 C--N 1.41 3.221 0 C-N-CA 124.393 1.077 . . . . 0.0 113.117 177.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.7 p -85.58 -21.65 28.41 Favored 'General case' 0 C--N 1.382 1.989 0 CA-C-N 119.131 0.878 . . . . 0.0 110.07 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.96 -29.18 55.46 Favored 'General case' 0 C--N 1.386 2.184 0 CA-C-N 113.939 -1.482 . . . . 0.0 112.113 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 p -77.32 -10.86 59.7 Favored 'General case' 0 N--CA 1.515 2.825 0 C-N-CA 125.942 1.697 . . . . 0.0 112.281 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.2 tt -85.35 -29.6 24.34 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 127.532 2.333 . . . . 0.0 109.657 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -76.87 -0.56 24.57 Favored 'General case' 0 CA--C 1.569 1.709 0 C-N-CA 124.138 0.975 . . . . 0.0 111.568 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -71.18 -10.44 59.76 Favored 'General case' 0 N--CA 1.523 3.218 0 C-N-CA 126.551 1.94 . . . . 0.0 112.126 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -58.16 -42.94 87.04 Favored 'General case' 0 CA--C 1.571 1.773 0 CA-C-N 109.698 -3.41 . . . . 0.0 105.702 168.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -151.46 -42.4 0.11 Allowed 'General case' 1 N--CA 1.541 4.078 0 N-CA-C 119.978 3.325 . . . . 0.0 119.978 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -102.82 -19.22 14.77 Favored 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -173.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.91 -24.54 21.3 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -72.16 -56.6 5.3 Favored 'General case' 0 C--N 1.384 2.106 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -172.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.3 -39.41 27.13 Favored Pre-proline 0 N--CA 1.505 2.32 0 N-CA-C 120.003 3.334 . . . . 0.0 120.003 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.76 -24.53 68.68 Favored 'Trans proline' 1 C--N 1.447 5.757 0 CA-C-N 125.129 2.868 . . . . 0.0 114.697 -178.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -127.28 -112.78 1.76 Allowed Glycine 0 N--CA 1.423 -2.231 0 CA-C-N 113.503 -1.68 . . . . 0.0 113.075 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 102.04 -22.03 39.58 Favored Glycine 0 N--CA 1.481 1.672 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 -175.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -121.35 -20.01 6.81 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 127.823 2.449 . . . . 0.0 110.093 177.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.94 -38.65 86.54 Favored 'General case' 0 C--N 1.403 2.905 0 C-N-CA 123.992 0.917 . . . . 0.0 112.522 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -67.62 -35.38 78.82 Favored 'General case' 0 N--CA 1.501 2.104 0 C-N-CA 125.4 1.48 . . . . 0.0 109.794 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -67.92 -36.57 80.38 Favored 'General case' 0 C--N 1.388 2.276 0 C-N-CA 125.873 1.669 . . . . 0.0 111.651 174.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 5.2 mpt_? -74.28 -49.34 23.53 Favored 'General case' 0 C--N 1.375 1.702 0 C-N-CA 123.537 0.735 . . . . 0.0 111.253 176.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.45 -60.04 4.12 Favored 'General case' 0 CA--C 1.599 2.836 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.08 -42.63 18.94 Favored 'General case' 0 C--N 1.384 2.093 0 N-CA-C 116.704 2.113 . . . . 0.0 116.704 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 42.4 mt-10 -72.23 -33.82 67.86 Favored 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.531 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 5.3 m-85 -66.28 -41.93 89.13 Favored 'General case' 0 C--N 1.393 2.463 0 CA-C-O 118.549 -0.739 . . . . 0.0 112.07 177.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -71.1 -30.97 67.21 Favored 'General case' 0 C--N 1.394 2.525 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.93 -42.04 73.8 Favored 'General case' 0 N--CA 1.521 3.085 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -71.64 -35.22 70.33 Favored 'General case' 0 N--CA 1.507 2.412 0 C-N-CA 124.366 1.066 . . . . 0.0 112.039 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.2 -22.21 60.51 Favored 'General case' 0 C--N 1.383 2.058 0 C-N-CA 125.106 1.362 . . . . 0.0 111.961 177.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -69.12 -50.72 45.47 Favored 'General case' 0 N--CA 1.506 2.375 0 C-N-CA 125.905 1.682 . . . . 0.0 113.56 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.23 -37.92 69.05 Favored 'General case' 0 N--CA 1.509 2.484 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.13 -33.52 73.52 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 123.646 0.591 . . . . 0.0 110.543 174.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -34.28 72.45 Favored 'General case' 0 C--N 1.379 1.877 0 C-N-CA 125.03 1.332 . . . . 0.0 111.917 175.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.74 90.19 Favored 'General case' 0 C--N 1.408 3.11 0 C-N-CA 125.688 1.595 . . . . 0.0 112.611 -177.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.4 mtt -64.16 -39.73 94.62 Favored 'General case' 0 C--N 1.389 2.302 0 O-C-N 124.878 1.361 . . . . 0.0 110.482 176.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -69.04 -37.3 78.51 Favored 'General case' 0 C--N 1.385 2.119 0 C-N-CA 125.014 1.326 . . . . 0.0 110.974 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -65.03 -38.68 91.68 Favored 'General case' 0 C--N 1.4 2.762 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.81 -39.48 80.04 Favored 'General case' 0 N--CA 1.509 2.501 0 C-N-CA 124.415 1.086 . . . . 0.0 111.546 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -74.16 -24.83 59.46 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 124.764 1.225 . . . . 0.0 112.315 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -71.94 -34.46 69.03 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 125.59 1.556 . . . . 0.0 111.176 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -67.0 -38.64 86.36 Favored 'General case' 0 C--N 1.388 2.252 0 C-N-CA 125.129 1.372 . . . . 0.0 110.444 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -72.22 -32.86 67.14 Favored 'General case' 0 C--N 1.387 2.238 0 C-N-CA 124.673 1.189 . . . . 0.0 111.993 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -69.41 -37.06 77.31 Favored 'General case' 0 C--N 1.391 2.41 0 C-N-CA 124.794 1.238 . . . . 0.0 111.395 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.46 86.54 Favored 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 125.323 1.449 . . . . 0.0 113.418 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -90.71 -39.63 12.32 Favored 'General case' 0 C--N 1.387 2.231 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -106.97 -29.88 9.18 Favored 'General case' 0 C--N 1.398 2.677 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -174.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 56.48 26.94 11.47 Favored 'General case' 0 N--CA 1.532 3.671 0 C-N-CA 127.594 2.358 . . . . 0.0 116.468 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.74 137.72 58.3 Favored Pre-proline 0 N--CA 1.503 2.208 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.4 -14.33 15.79 Favored 'Trans proline' 1 C--N 1.436 5.14 0 C-N-CA 124.709 3.606 . . . . 0.0 116.776 177.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -68.45 -37.92 80.65 Favored 'General case' 0 N--CA 1.527 3.402 0 C-N-CA 124.341 1.056 . . . . 0.0 113.294 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.456 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -78.09 -29.19 48.92 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 126.887 2.075 . . . . 0.0 110.002 -179.194 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.8 77.97 Favored 'General case' 0 C--N 1.378 1.807 0 C-N-CA 126.671 1.988 . . . . 0.0 110.045 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.7 -33.52 70.97 Favored 'General case' 0 C--N 1.381 1.969 0 C-N-CA 124.138 0.975 . . . . 0.0 110.82 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -72.12 -42.65 65.81 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 125.107 1.363 . . . . 0.0 114.264 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.1 mt -66.32 -43.32 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.22 0 C-N-CA 125.629 1.571 . . . . 0.0 109.06 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 23.0 m -63.12 -41.0 99.24 Favored 'General case' 0 CA--C 1.59 2.505 0 C-N-CA 126.026 1.73 . . . . 0.0 111.43 177.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.18 93.43 Favored 'General case' 0 N--CA 1.513 2.69 0 C-N-CA 124.655 1.182 . . . . 0.0 112.165 175.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.28 -26.39 60.17 Favored 'General case' 0 C--N 1.381 1.976 0 C-N-CA 124.774 1.23 . . . . 0.0 111.845 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.06 -37.36 87.17 Favored 'General case' 0 C--N 1.394 2.517 0 C-N-CA 125.999 1.719 . . . . 0.0 112.425 176.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -75.09 -35.13 61.8 Favored 'General case' 0 C--N 1.389 2.291 0 C-N-CA 124.874 1.27 . . . . 0.0 110.091 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -71.51 -33.66 69.43 Favored 'General case' 0 C--N 1.385 2.123 0 C-N-CA 125.093 1.357 . . . . 0.0 113.121 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.94 -38.13 85.58 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 124.923 1.289 . . . . 0.0 109.934 174.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.5 p -76.6 -37.07 57.03 Favored 'General case' 0 N--CA 1.5 2.065 0 C-N-CA 123.38 0.672 . . . . 0.0 112.303 176.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -73.0 -28.33 62.3 Favored 'General case' 0 N--CA 1.512 2.673 0 C-N-CA 124.139 0.976 . . . . 0.0 113.177 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 8.7 t -73.24 -41.03 64.18 Favored 'General case' 0 C--N 1.384 2.107 0 C-N-CA 123.994 0.918 . . . . 0.0 109.35 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -59.53 -38.0 79.85 Favored 'General case' 0 C--N 1.394 2.514 0 C-N-CA 125.487 1.515 . . . . 0.0 112.257 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.4 m -68.93 -41.37 78.21 Favored 'General case' 0 CA--C 1.58 2.13 0 C-N-CA 125.422 1.489 . . . . 0.0 110.565 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.52 -38.37 84.17 Favored 'General case' 0 C--N 1.38 1.92 0 C-N-CA 126.326 1.851 . . . . 0.0 112.859 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 37.1 mt -66.51 -42.14 89.66 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.898 0 C-N-CA 126.268 1.827 . . . . 0.0 110.12 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.11 93.66 Favored 'General case' 0 C--N 1.391 2.384 0 C-N-CA 124.627 1.171 . . . . 0.0 112.924 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.85 -39.32 87.56 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 125.435 1.494 . . . . 0.0 112.981 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 18.0 p -70.99 -29.76 65.82 Favored 'General case' 0 N--CA 1.511 2.581 0 C-N-CA 124.304 1.042 . . . . 0.0 112.033 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.41 -28.59 63.07 Favored 'General case' 0 C--N 1.381 1.978 0 C-N-CA 124.861 1.264 . . . . 0.0 111.538 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.82 -35.35 76.87 Favored 'General case' 0 N--CA 1.512 2.667 0 C-N-CA 125.227 1.411 . . . . 0.0 111.92 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.31 72.19 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 124.713 1.205 . . . . 0.0 110.211 175.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.03 -30.17 63.54 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 125.501 1.52 . . . . 0.0 111.934 176.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -66.79 -35.13 79.37 Favored 'General case' 0 N--CA 1.508 2.443 0 C-N-CA 126.245 1.818 . . . . 0.0 112.897 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -76.28 -16.49 59.78 Favored 'General case' 0 C--N 1.383 2.029 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.13 -1.71 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 CA-C-N 119.102 0.864 . . . . 0.0 110.097 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 16.8 m -92.96 -16.76 24.75 Favored 'General case' 0 CA--C 1.575 1.925 0 C-N-CA 126.109 1.764 . . . . 0.0 111.052 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.861 -1.066 . . . . 0.0 111.371 -175.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtt . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 119.267 -0.397 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 58.84 67.62 0.91 Allowed 'General case' 0 N--CA 1.53 3.555 0 C-N-CA 127.126 2.17 . . . . 0.0 113.479 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.8 103.76 55.05 Favored Pre-proline 0 CA--C 1.575 1.916 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.957 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -60.88 121.12 9.21 Favored 'Trans proline' 1 C--N 1.43 4.823 0 C-N-CA 123.931 3.087 . . . . 0.0 114.632 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.74 -48.25 4.78 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 123.623 0.769 . . . . 0.0 112.063 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -36.91 59.51 Favored 'General case' 0 C--N 1.377 1.773 0 C-N-CA 125.112 1.365 . . . . 0.0 112.585 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.83 -32.46 70.88 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 124.448 1.099 . . . . 0.0 110.14 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -68.22 -35.83 78.57 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 124.341 1.025 . . . . 0.0 111.467 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.6 m -72.44 -41.23 66.37 Favored 'General case' 0 C--N 1.383 2.037 0 C-N-CA 123.811 0.844 . . . . 0.0 110.972 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.29 -44.55 88.54 Favored 'General case' 0 C--N 1.389 2.306 0 O-C-N 124.333 1.021 . . . . 0.0 112.244 173.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -65.21 -39.79 93.26 Favored 'General case' 0 C--N 1.399 2.721 0 C-N-CA 125.159 1.384 . . . . 0.0 114.648 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.489 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 6.7 m -69.66 -38.22 77.01 Favored 'General case' 0 C--N 1.376 1.743 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.588 178.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.07 -29.3 70.21 Favored 'General case' 0 N--CA 1.509 2.522 0 C-N-CA 124.37 1.068 . . . . 0.0 112.292 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.7 t -76.67 -46.66 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.407 0 C-N-CA 125.306 1.442 . . . . 0.0 110.999 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.82 -29.95 67.34 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 123.642 0.777 . . . . 0.0 111.512 176.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 12' ' ' THR . . . -66.77 -39.62 87.93 Favored 'General case' 0 N--CA 1.512 2.67 0 C-N-CA 125.9 1.68 . . . . 0.0 110.436 172.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -34.98 68.71 Favored 'General case' 0 C--N 1.38 1.928 0 C-N-CA 124.361 1.064 . . . . 0.0 110.84 177.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -60.66 -41.28 94.69 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 127.109 2.164 . . . . 0.0 111.568 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.51 -15.76 58.25 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 124.827 1.251 . . . . 0.0 114.097 178.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.7 -17.13 18.72 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 125.217 1.407 . . . . 0.0 109.547 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.33 16.56 7.96 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.63 0 C-N-CA 126.702 2.001 . . . . 0.0 111.011 177.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.69 -75.46 0.45 Allowed Glycine 0 C--N 1.367 2.298 0 CA-C-O 116.575 -2.236 . . . . 0.0 113.857 -172.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -68.84 -3.15 10.8 Favored 'Trans proline' 1 C--N 1.421 4.362 0 CA-C-N 122.447 3.124 . . . . 0.0 115.1 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -88.9 -11.08 45.58 Favored 'General case' 0 C--N 1.383 2.04 0 C-N-CA 126.059 1.744 . . . . 0.0 112.457 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.55 98.76 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 126.544 1.937 . . . . 0.0 115.428 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.5 m -90.94 -31.22 16.46 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 124.21 1.004 . . . . 0.0 111.144 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -120.28 103.58 9.35 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 113.702 -1.59 . . . . 0.0 111.354 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -97.57 121.95 40.07 Favored 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 123.398 0.679 . . . . 0.0 112.409 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -124.53 -80.37 0.62 Allowed 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.402 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -143.07 105.99 4.52 Favored 'General case' 0 C--N 1.383 2.049 0 C-N-CA 123.795 0.838 . . . . 0.0 110.7 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.5 m -115.07 108.88 47.55 Favored Pre-proline 0 C--N 1.386 2.162 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.115 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -62.93 -31.81 77.03 Favored 'Trans proline' 1 C--N 1.432 4.957 0 C-N-CA 123.976 3.117 . . . . 0.0 116.934 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -104.4 29.1 6.32 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 125.922 1.689 . . . . 0.0 113.139 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -51.01 111.44 0.56 Allowed 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 125.378 1.471 . . . . 0.0 114.641 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.33 57.29 0.65 Allowed 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 112.535 -2.12 . . . . 0.0 112.02 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -74.54 -33.73 62.81 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 113.369 -1.742 . . . . 0.0 113.767 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -77.14 -24.39 51.63 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.834 1.253 . . . . 0.0 113.146 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.56 -6.29 40.69 Favored 'General case' 0 C--N 1.384 2.076 0 C-N-CA 122.854 0.462 . . . . 0.0 111.967 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -119.01 154.03 33.72 Favored 'General case' 0 C--N 1.381 1.943 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.43 113.74 19.19 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.7 t -136.3 156.32 48.82 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 114.867 -1.061 . . . . 0.0 109.854 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -105.83 47.39 0.88 Allowed 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -176.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.22 -69.55 0.47 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 118.174 2.03 . . . . 0.0 118.174 170.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -173.22 64.9 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 119.202 1.501 . . . . 0.0 110.051 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -139.93 137.35 34.71 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 mt -70.92 -26.1 63.06 Favored 'General case' 0 N--CA 1.524 3.264 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 170.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.06 -36.62 92.59 Favored Glycine 0 C--N 1.384 3.236 0 C-N-CA 125.73 1.633 . . . . 0.0 114.088 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.43 -21.75 45.13 Favored 'General case' 0 C--N 1.394 2.536 0 C-N-CA 123.318 0.647 . . . . 0.0 111.734 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -81.75 -32.36 31.54 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.223 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.37 -36.0 54.02 Favored 'General case' 0 C--N 1.377 1.801 0 C-N-CA 124.776 1.23 . . . . 0.0 112.504 178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.33 -34.86 70.93 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.485 1.514 . . . . 0.0 112.187 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -81.0 -28.88 35.32 Favored 'General case' 0 C--N 1.378 1.835 0 C-N-CA 123.618 0.767 . . . . 0.0 110.686 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.97 -38.57 66.67 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 124.903 1.377 . . . . 0.0 111.582 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.08 -38.01 78.77 Favored 'General case' 0 CA--C 1.575 1.916 0 C-N-CA 124.504 1.122 . . . . 0.0 110.243 175.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -72.86 -25.96 61.29 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 126.087 1.755 . . . . 0.0 112.83 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.3 m -79.51 -28.74 41.37 Favored 'General case' 0 N--CA 1.503 2.202 0 C-N-CA 123.844 0.858 . . . . 0.0 109.812 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -41.83 65.16 Favored 'General case' 0 C--N 1.383 2.053 0 C-N-CA 124.655 1.182 . . . . 0.0 110.525 176.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.4 p -71.47 -32.39 68.24 Favored 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 125.675 1.59 . . . . 0.0 113.84 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -77.83 -41.9 35.5 Favored 'General case' 0 N--CA 1.516 2.869 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.63 -34.64 78.33 Favored 'General case' 0 C--N 1.389 2.306 0 C-N-CA 124.603 1.161 . . . . 0.0 110.991 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 4.8 mt-10 -65.17 -32.4 74.07 Favored 'General case' 0 C--N 1.388 2.247 0 C-N-CA 126.135 1.774 . . . . 0.0 112.298 176.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.3 94.27 Favored 'General case' 0 C--N 1.388 2.278 0 C-N-CA 124.095 0.958 . . . . 0.0 112.944 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.14 -29.97 65.9 Favored 'General case' 0 N--CA 1.51 2.556 0 C-N-CA 123.122 0.569 . . . . 0.0 112.117 174.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.439 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 52.4 t -60.6 -39.54 81.76 Favored 'Isoleucine or valine' 0 C--N 1.38 1.92 0 C-N-CA 126.581 1.952 . . . . 0.0 110.187 175.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -54.87 -31.95 60.31 Favored 'General case' 0 C--N 1.393 2.495 0 C-N-CA 125.015 1.326 . . . . 0.0 113.104 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -69.41 -37.73 77.59 Favored 'General case' 0 C--N 1.399 2.761 0 C-N-CA 125.569 1.548 . . . . 0.0 112.062 176.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.3 32.19 2.84 Favored Glycine 0 C--N 1.375 2.711 0 N-CA-C 116.136 1.214 . . . . 0.0 116.136 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.26 112.62 21.56 Favored 'General case' 0 C--N 1.378 1.83 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.34 68.13 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 112.959 -1.928 . . . . 0.0 113.03 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.5 m -71.92 -38.23 69.91 Favored 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 124.695 1.198 . . . . 0.0 110.969 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -75.42 -22.93 57.0 Favored 'General case' 0 N--CA 1.508 2.443 0 C-N-CA 123.966 0.906 . . . . 0.0 112.279 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.2 t -77.05 -47.16 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 125.549 1.54 . . . . 0.0 109.802 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.8 -37.11 81.57 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 127.285 2.234 . . . . 0.0 112.673 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.03 -40.16 94.42 Favored 'General case' 0 N--CA 1.5 2.032 0 C-N-CA 126.299 1.84 . . . . 0.0 109.99 173.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 tt -72.72 -38.55 67.42 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 124.908 1.283 . . . . 0.0 109.64 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.17 98.02 Favored 'General case' 0 N--CA 1.511 2.583 0 C-N-CA 124.873 1.269 . . . . 0.0 112.537 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.74 -37.8 70.52 Favored 'General case' 0 N--CA 1.514 2.773 0 C-N-CA 125.888 1.675 . . . . 0.0 111.292 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -69.21 -35.65 76.43 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 125.001 1.32 . . . . 0.0 109.6 173.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.66 -45.87 81.29 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 124.703 1.201 . . . . 0.0 112.429 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.22 -40.72 82.01 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 125.079 1.352 . . . . 0.0 112.666 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.15 81.93 Favored 'General case' 0 C--N 1.39 2.342 0 C-N-CA 125.956 1.702 . . . . 0.0 112.022 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -73.64 -27.1 61.09 Favored 'General case' 0 C--N 1.375 1.688 0 C-N-CA 123.651 0.78 . . . . 0.0 112.559 176.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.514 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 32.9 mt -63.34 -46.1 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.527 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.0 mt-10 -66.27 -44.92 82.26 Favored 'General case' 0 N--CA 1.505 2.305 0 C-N-CA 124.802 1.241 . . . . 0.0 112.097 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.64 -44.44 56.89 Favored 'General case' 0 C--N 1.378 1.847 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.5 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 6.2 mp -86.22 -42.98 13.35 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -175.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 32.4 mt-30 -68.19 -37.88 81.39 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 123.795 0.684 . . . . 0.0 112.059 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.9 mtt180 -79.14 -36.09 41.06 Favored 'General case' 0 C--N 1.391 2.379 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 178.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -76.71 -26.64 54.91 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 119.367 0.985 . . . . 0.0 110.0 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 86' ' ' LEU . . . -76.86 -28.13 55.33 Favored 'General case' 0 C--N 1.389 2.287 0 C-N-CA 124.406 1.082 . . . . 0.0 109.135 173.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 87' ' ' GLN . . . -72.36 -29.37 63.73 Favored 'General case' 0 C--N 1.406 3.045 0 C-N-CA 125.303 1.441 . . . . 0.0 112.683 178.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 p -85.66 -22.57 27.85 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 124.664 1.186 . . . . 0.0 109.712 175.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.58 -27.48 51.37 Favored 'General case' 0 C--N 1.389 2.291 0 C-N-CA 125.458 1.503 . . . . 0.0 111.897 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.6 p -78.02 -11.23 59.89 Favored 'General case' 0 N--CA 1.514 2.741 0 C-N-CA 125.894 1.678 . . . . 0.0 111.725 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.1 tt -89.86 -28.89 18.96 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 127.021 2.129 . . . . 0.0 109.242 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -83.51 8.4 14.15 Favored 'General case' 0 CA--C 1.567 1.615 0 C-N-CA 124.683 1.193 . . . . 0.0 111.96 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -79.73 -7.7 58.78 Favored 'General case' 0 N--CA 1.517 2.922 0 CA-C-O 123.608 1.671 . . . . 0.0 110.4 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -62.63 -45.86 90.92 Favored 'General case' 0 CA--C 1.574 1.903 0 CA-C-N 109.855 -3.339 . . . . 0.0 104.358 169.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -148.11 -89.88 0.08 Allowed 'General case' 0 N--CA 1.529 3.478 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -31.96 -46.46 0.12 Allowed 'General case' 0 N--CA 1.527 3.411 0 N-CA-C 118.228 2.677 . . . . 0.0 118.228 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.14 -23.42 38.31 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -80.21 -0.51 36.53 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 127.08 2.152 . . . . 0.0 111.81 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mt -62.04 -53.64 57.62 Favored Pre-proline 0 C--N 1.397 2.656 0 CA-C-O 116.003 -1.951 . . . . 0.0 109.981 -172.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -70.22 -39.06 6.0 Favored 'Trans proline' 1 C--N 1.456 6.188 0 CA-C-N 123.79 2.389 . . . . 0.0 110.806 169.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.46 -150.24 19.18 Favored Glycine 0 C--N 1.378 2.864 0 O-C-N 124.219 0.95 . . . . 0.0 113.148 173.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -93.32 4.02 73.18 Favored Glycine 0 N--CA 1.485 1.951 0 N-CA-C 115.716 1.047 . . . . 0.0 115.716 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -69.64 -41.89 74.99 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 124.968 1.307 . . . . 0.0 112.841 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 59.9 mt -74.63 -35.63 62.9 Favored 'General case' 0 C--N 1.377 1.804 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -68.17 -37.75 81.33 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 124.788 1.235 . . . . 0.0 111.331 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.85 82.13 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.52 1.528 . . . . 0.0 111.441 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 4.5 mpt_? -73.01 -51.07 19.63 Favored 'General case' 0 C--N 1.376 1.745 0 C-N-CA 123.658 0.783 . . . . 0.0 111.45 176.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.57 -59.77 4.2 Favored 'General case' 0 CA--C 1.591 2.521 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.45 -45.77 24.68 Favored 'General case' 0 C--N 1.384 2.066 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.82 -37.6 70.32 Favored 'General case' 0 N--CA 1.509 2.522 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.407 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 18.7 m-85 -70.57 -36.85 73.84 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 123.127 0.571 . . . . 0.0 112.427 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -67.14 -39.83 86.64 Favored 'General case' 0 C--N 1.389 2.302 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.66 -41.75 83.29 Favored 'General case' 0 N--CA 1.517 2.875 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -68.92 -36.84 78.48 Favored 'General case' 0 N--CA 1.506 2.37 0 C-N-CA 124.216 1.006 . . . . 0.0 113.048 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.72 -36.78 78.88 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 124.66 1.184 . . . . 0.0 113.019 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -63.85 -42.41 97.58 Favored 'General case' 0 N--CA 1.511 2.604 0 C-N-CA 125.343 1.457 . . . . 0.0 114.753 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -72.9 -39.95 65.94 Favored 'General case' 0 N--CA 1.509 2.51 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.55 -32.93 71.97 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 123.451 0.469 . . . . 0.0 110.571 173.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -32.17 69.39 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 125.061 1.344 . . . . 0.0 112.093 176.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.45 86.6 Favored 'General case' 0 C--N 1.408 3.131 0 C-N-CA 125.475 1.51 . . . . 0.0 112.045 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.1 mtt -64.29 -38.05 89.68 Favored 'General case' 0 C--N 1.393 2.461 0 C-N-CA 125.253 1.421 . . . . 0.0 110.925 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -69.31 -35.32 75.86 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 125.64 1.576 . . . . 0.0 110.803 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -69.21 -38.67 78.7 Favored 'General case' 0 N--CA 1.51 2.548 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.76 -40.02 79.96 Favored 'General case' 0 N--CA 1.513 2.698 0 C-N-CA 124.672 1.189 . . . . 0.0 112.389 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -74.39 -20.51 60.04 Favored 'General case' 0 C--N 1.382 2.001 0 C-N-CA 124.661 1.184 . . . . 0.0 111.85 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -79.92 -26.92 39.97 Favored 'General case' 0 C--N 1.384 2.081 0 C-N-CA 124.385 1.074 . . . . 0.0 112.184 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -67.13 -38.72 86.06 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 124.529 1.132 . . . . 0.0 109.795 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.18 -36.28 74.54 Favored 'General case' 0 C--N 1.392 2.455 0 C-N-CA 124.915 1.286 . . . . 0.0 111.362 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -69.06 -34.47 75.21 Favored 'General case' 0 C--N 1.398 2.677 0 C-N-CA 124.977 1.311 . . . . 0.0 111.695 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.19 -37.5 87.52 Favored 'General case' 0 CA--C 1.57 1.737 0 C-N-CA 125.111 1.364 . . . . 0.0 112.935 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -90.71 -38.99 12.7 Favored 'General case' 0 C--N 1.388 2.279 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -107.74 -29.69 8.97 Favored 'General case' 0 C--N 1.397 2.663 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.3 m80 57.7 30.83 19.51 Favored 'General case' 0 N--CA 1.532 3.631 0 C-N-CA 127.617 2.367 . . . . 0.0 116.131 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.02 135.96 47.69 Favored Pre-proline 0 N--CA 1.499 1.977 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.08 -14.02 13.62 Favored 'Trans proline' 1 C--N 1.436 5.183 0 C-N-CA 124.919 3.746 . . . . 0.0 116.929 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -68.19 -37.59 81.09 Favored 'General case' 0 N--CA 1.527 3.408 0 C-N-CA 124.402 1.081 . . . . 0.0 113.688 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -79.0 -29.27 43.63 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 126.596 1.959 . . . . 0.0 110.044 -178.788 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.18 -36.62 77.52 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 126.828 2.051 . . . . 0.0 110.228 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.21 -32.83 70.92 Favored 'General case' 0 C--N 1.38 1.923 0 O-C-N 124.209 0.943 . . . . 0.0 110.492 172.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.44 -42.45 65.02 Favored 'General case' 0 N--CA 1.513 2.712 0 C-N-CA 125.102 1.361 . . . . 0.0 114.144 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.5 mt -65.28 -44.97 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.576 0 C-N-CA 125.205 1.402 . . . . 0.0 109.184 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.9 m -61.41 -42.54 98.9 Favored 'General case' 0 CA--C 1.587 2.381 0 C-N-CA 126.32 1.848 . . . . 0.0 111.62 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.45 97.6 Favored 'General case' 0 N--CA 1.514 2.738 0 C-N-CA 124.474 1.109 . . . . 0.0 112.549 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 14.8 mt -73.46 -28.73 62.1 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 124.895 1.278 . . . . 0.0 112.113 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -37.58 87.85 Favored 'General case' 0 C--N 1.392 2.437 0 C-N-CA 126.135 1.774 . . . . 0.0 112.384 178.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -74.25 -33.79 63.43 Favored 'General case' 0 C--N 1.386 2.189 0 C-N-CA 125.921 1.688 . . . . 0.0 109.792 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -70.16 -34.44 73.02 Favored 'General case' 0 C--N 1.386 2.171 0 C-N-CA 125.457 1.503 . . . . 0.0 112.455 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -38.69 91.91 Favored 'General case' 0 C--N 1.381 1.96 0 C-N-CA 124.27 1.028 . . . . 0.0 110.304 174.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.4 p -76.89 -39.13 52.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 123.931 0.769 . . . . 0.0 112.463 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -71.55 -36.26 70.9 Favored 'General case' 0 N--CA 1.513 2.689 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 82.7 m -71.77 -38.51 70.34 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 123.839 0.855 . . . . 0.0 111.446 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -62.42 -38.34 89.33 Favored 'General case' 0 C--N 1.394 2.5 0 C-N-CA 125.25 1.42 . . . . 0.0 112.429 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 25.3 m -69.95 -41.84 74.01 Favored 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 125.17 1.388 . . . . 0.0 111.034 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.84 -38.38 83.09 Favored 'General case' 0 C--N 1.38 1.892 0 C-N-CA 126.141 1.777 . . . . 0.0 113.102 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 20.7 mt -69.91 -40.38 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.833 0 C-N-CA 126.033 1.733 . . . . 0.0 110.228 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.91 99.68 Favored 'General case' 0 C--N 1.389 2.315 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.53 -40.91 76.62 Favored 'General case' 0 N--CA 1.512 2.65 0 C-N-CA 124.639 1.176 . . . . 0.0 113.763 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.1 p -71.57 -35.53 70.62 Favored 'General case' 0 N--CA 1.507 2.423 0 C-N-CA 124.317 1.047 . . . . 0.0 112.757 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.31 -35.56 68.66 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 124.252 1.021 . . . . 0.0 112.548 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -65.56 -38.94 91.02 Favored 'General case' 0 N--CA 1.515 2.788 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 169' ' ' ILE . . . -71.77 -33.65 68.79 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 124.312 1.045 . . . . 0.0 111.037 178.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -77.14 -32.26 56.21 Favored 'General case' 0 C--N 1.387 2.238 0 C-N-CA 125.893 1.677 . . . . 0.0 112.943 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.44 -26.41 60.93 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 125.257 1.423 . . . . 0.0 113.115 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.77 -14.92 43.75 Favored 'General case' 0 C--N 1.383 2.044 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -178.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.418 HG12 ' O ' ' A' ' 165' ' ' ALA . 1.0 OUTLIER -101.74 -10.56 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 C-N-CA 123.616 0.767 . . . . 0.0 112.034 -177.54 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.2 t -97.81 7.77 45.82 Favored 'General case' 0 CA--C 1.581 2.154 0 C-N-CA 125.07 1.348 . . . . 0.0 111.359 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 . . . . . 0 C--N 1.379 1.878 0 CA-C-O 117.96 -1.019 . . . . 0.0 111.853 -177.403 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mtt . . . . . 0 N--CA 1.499 2.006 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -102.14 -29.57 11.65 Favored 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 123.946 0.898 . . . . 0.0 113.279 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.46 82.54 0.23 Allowed Pre-proline 0 N--CA 1.525 3.297 0 C-N-CA 126.884 2.074 . . . . 0.0 111.824 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -62.25 108.73 0.72 Allowed 'Trans proline' 1 C--N 1.433 5.018 0 C-N-CA 123.493 2.795 . . . . 0.0 114.188 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -96.91 -41.03 8.61 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 123.338 0.655 . . . . 0.0 112.272 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.23 -37.78 52.56 Favored 'General case' 0 C--N 1.373 1.593 0 C-N-CA 124.861 1.264 . . . . 0.0 111.873 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -31.75 70.64 Favored 'General case' 0 C--N 1.38 1.925 0 C-N-CA 124.967 1.307 . . . . 0.0 111.31 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -69.36 -38.04 77.91 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 124.716 1.26 . . . . 0.0 111.607 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.3 m -71.16 -41.27 70.62 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 123.729 0.812 . . . . 0.0 111.093 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.91 -44.58 91.31 Favored 'General case' 0 C--N 1.389 2.298 0 O-C-N 124.237 0.961 . . . . 0.0 111.838 173.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -65.71 -40.2 92.01 Favored 'General case' 0 C--N 1.4 2.763 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.525 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 7.9 m -69.55 -38.8 77.61 Favored 'General case' 0 C--N 1.376 1.728 0 CA-C-O 117.835 -1.079 . . . . 0.0 110.611 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.93 -30.2 71.37 Favored 'General case' 0 N--CA 1.503 2.181 0 C-N-CA 123.99 0.916 . . . . 0.0 111.788 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.5 t -75.83 -46.76 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 C-N-CA 125.505 1.522 . . . . 0.0 111.59 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.99 -29.84 68.12 Favored 'General case' 0 N--CA 1.506 2.364 0 C-N-CA 123.668 0.787 . . . . 0.0 111.712 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 12' ' ' THR . . . -66.31 -41.21 90.04 Favored 'General case' 0 N--CA 1.512 2.655 0 C-N-CA 126.251 1.82 . . . . 0.0 110.837 171.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 mt -70.0 -37.88 75.82 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 124.188 0.995 . . . . 0.0 110.765 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -59.54 -40.77 88.29 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 127.435 2.294 . . . . 0.0 112.222 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.26 -16.1 58.13 Favored 'General case' 0 N--CA 1.505 2.297 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 177.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -97.36 -19.78 18.27 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 125.477 1.511 . . . . 0.0 110.187 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.79 11.35 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 127.066 2.146 . . . . 0.0 112.129 178.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.1 -67.09 2.11 Favored Glycine 0 N--CA 1.497 2.756 0 N-CA-C 117.397 1.719 . . . . 0.0 117.397 -170.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.09 -8.96 25.04 Favored 'Trans proline' 0 C--N 1.412 3.871 0 CA-C-N 122.004 2.902 . . . . 0.0 117.164 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.25 -50.41 10.97 Favored 'General case' 0 C--N 1.375 1.704 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -176.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.72 -10.92 59.93 Favored 'General case' 0 N--CA 1.511 2.611 0 N-CA-C 115.968 1.84 . . . . 0.0 115.968 -178.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.12 -2.67 57.53 Favored 'General case' 0 CA--C 1.573 1.831 0 C-N-CA 124.053 0.941 . . . . 0.0 111.457 176.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -102.01 -104.15 0.26 Allowed 'General case' 0 C--N 1.38 1.9 0 C-N-CA 124.991 1.316 . . . . 0.0 111.605 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -136.37 -42.82 0.62 Allowed 'General case' 0 N--CA 1.505 2.293 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -97.24 141.34 30.47 Favored 'General case' 0 N--CA 1.504 2.226 0 C-N-CA 124.229 1.011 . . . . 0.0 113.578 -177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.72 155.97 18.85 Favored 'General case' 0 CA--C 1.575 1.913 0 C-N-CA 124.28 1.032 . . . . 0.0 112.597 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.64 138.8 19.95 Favored Pre-proline 0 C--N 1.391 2.391 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -177.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -66.94 -10.22 27.69 Favored 'Trans proline' 1 C--N 1.437 5.205 0 C-N-CA 124.389 3.392 . . . . 0.0 117.146 178.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -100.0 18.13 19.26 Favored 'General case' 0 N--CA 1.503 2.213 0 C-N-CA 124.753 1.221 . . . . 0.0 113.521 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -72.56 112.18 8.39 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.67 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.48 93.41 9.4 Favored 'General case' 0 C--N 1.371 1.531 0 C-N-CA 119.238 -0.985 . . . . 0.0 109.574 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.41 -2.0 51.77 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 113.67 -1.605 . . . . 0.0 113.868 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -80.11 -30.61 39.16 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 123.326 0.651 . . . . 0.0 111.091 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 mt -102.16 -3.82 26.84 Favored 'General case' 0 C--N 1.388 2.248 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -120.12 154.93 34.01 Favored 'General case' 0 C--N 1.382 2.017 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.0 108.96 13.51 Favored 'General case' 0 C--N 1.385 2.115 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 t -152.93 169.09 23.7 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 113.486 -1.688 . . . . 0.0 108.726 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -113.46 -31.9 6.39 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.511 0.724 . . . . 0.0 111.466 -178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.28 83.58 1.11 Allowed Glycine 0 C--N 1.381 3.036 0 N-CA-C 107.594 -2.202 . . . . 0.0 107.594 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.15 -55.94 1.18 Allowed 'General case' 0 C--N 1.385 2.151 0 CA-C-N 117.329 0.564 . . . . 0.0 111.147 -173.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -177.6 173.63 1.62 Allowed 'General case' 0 C--N 1.412 3.303 0 C-N-CA 126.973 2.109 . . . . 0.0 112.214 -174.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -21.66 62.43 Favored 'General case' 0 C--N 1.42 3.652 0 C-N-CA 125.042 1.337 . . . . 0.0 108.201 171.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.86 -35.29 74.63 Favored Glycine 0 C--N 1.383 3.172 0 C-N-CA 126.07 1.795 . . . . 0.0 113.757 176.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.97 -21.57 54.52 Favored 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 123.254 0.622 . . . . 0.0 111.804 178.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -82.19 -31.1 30.57 Favored 'General case' 0 N--CA 1.505 2.291 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.238 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mt -75.48 -36.38 60.65 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.482 1.513 . . . . 0.0 111.84 175.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -29.61 67.27 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 126.189 1.796 . . . . 0.0 111.119 175.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -79.82 -31.67 40.66 Favored 'General case' 0 C--N 1.382 2.004 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.21 -39.09 68.83 Favored 'General case' 0 C--N 1.375 1.688 0 CA-C-N 113.526 -1.67 . . . . 0.0 111.913 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -37.29 74.21 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 123.518 0.727 . . . . 0.0 111.163 174.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.75 -26.8 62.6 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 125.624 1.57 . . . . 0.0 113.003 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -80.22 -30.02 38.56 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 123.53 0.732 . . . . 0.0 110.03 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.73 -41.96 64.64 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 125.529 1.532 . . . . 0.0 110.382 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -72.35 -30.93 65.19 Favored 'General case' 0 N--CA 1.508 2.429 0 C-N-CA 125.898 1.679 . . . . 0.0 113.196 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -76.7 -36.51 57.18 Favored 'General case' 0 N--CA 1.509 2.498 0 C-N-CA 123.687 0.795 . . . . 0.0 112.875 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.51 -33.11 70.83 Favored 'General case' 0 C--N 1.388 2.256 0 C-N-CA 124.955 1.302 . . . . 0.0 111.403 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -34.59 78.51 Favored 'General case' 0 C--N 1.386 2.158 0 C-N-CA 126.447 1.899 . . . . 0.0 112.231 176.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.6 87.88 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 123.484 0.714 . . . . 0.0 111.145 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.97 -27.89 69.14 Favored 'General case' 0 C--N 1.395 2.55 0 C-N-CA 125.275 1.43 . . . . 0.0 113.32 173.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.36 -39.79 86.6 Favored 'Isoleucine or valine' 0 C--N 1.384 2.087 0 C-N-CA 125.42 1.488 . . . . 0.0 108.927 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -68.87 -11.29 60.37 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 126.227 1.811 . . . . 0.0 112.405 175.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -87.25 -39.21 15.63 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 172.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.35 37.44 1.21 Allowed Glycine 0 C--N 1.381 3.072 0 N-CA-C 116.657 1.423 . . . . 0.0 116.657 171.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.93 107.8 20.32 Favored 'General case' 0 C--N 1.375 1.709 0 CA-C-O 121.786 0.803 . . . . 0.0 109.633 177.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.43 -22.57 61.08 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 113.719 -1.582 . . . . 0.0 112.57 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.7 m -71.05 -36.38 72.3 Favored 'General case' 0 CA--C 1.574 1.866 0 C-N-CA 125.336 1.455 . . . . 0.0 110.368 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.68 -22.32 56.8 Favored 'General case' 0 C--N 1.392 2.421 0 C-N-CA 124.075 0.95 . . . . 0.0 111.802 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.0 t -75.38 -49.21 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 C-N-CA 126.722 2.009 . . . . 0.0 109.714 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.13 79.25 Favored 'General case' 0 C--N 1.38 1.899 0 C-N-CA 127.064 2.146 . . . . 0.0 112.512 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.88 -45.97 90.05 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 124.872 1.269 . . . . 0.0 108.836 172.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.83 -39.08 93.38 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 125.002 1.439 . . . . 0.0 111.354 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.15 95.22 Favored 'General case' 0 N--CA 1.511 2.614 0 C-N-CA 124.857 1.263 . . . . 0.0 111.819 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.84 -35.72 72.56 Favored 'General case' 0 N--CA 1.517 2.905 0 C-N-CA 126.202 1.801 . . . . 0.0 111.065 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -70.84 -30.12 66.45 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 126.127 1.771 . . . . 0.0 110.31 174.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -43.66 64.22 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 124.701 1.2 . . . . 0.0 111.652 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.09 -38.96 82.92 Favored 'General case' 0 C--N 1.39 2.345 0 C-N-CA 125.298 1.439 . . . . 0.0 112.122 178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.76 -37.46 86.42 Favored 'General case' 0 C--N 1.387 2.2 0 C-N-CA 126.294 1.838 . . . . 0.0 111.672 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.44 -27.46 61.44 Favored 'General case' 0 C--N 1.378 1.824 0 C-N-CA 124.03 0.932 . . . . 0.0 112.613 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 37.8 mt -62.9 -46.27 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.566 0 C-N-CA 123.157 0.583 . . . . 0.0 109.83 175.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.58 -43.58 84.55 Favored 'General case' 0 N--CA 1.509 2.512 0 C-N-CA 125.296 1.439 . . . . 0.0 111.955 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.29 -42.91 64.99 Favored 'General case' 0 C--N 1.377 1.788 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.753 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 2.9 mm? -86.3 -45.51 11.18 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -176.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.574 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 17.0 mt-30 -64.2 -38.81 92.39 Favored 'General case' 0 N--CA 1.505 2.301 0 CA-C-N 119.141 0.882 . . . . 0.0 112.572 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -78.55 -43.68 26.05 Favored 'General case' 0 CA--C 1.593 2.619 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -76.54 -31.97 57.94 Favored 'General case' 0 N--CA 1.514 2.744 0 CA-C-N 118.843 0.747 . . . . 0.0 111.004 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.753 ' HB1' ' O ' ' A' ' 86' ' ' LEU . . . -77.51 -22.37 51.28 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 124.801 1.241 . . . . 0.0 109.459 174.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -63.23 -41.8 99.14 Favored 'General case' 0 C--N 1.427 3.946 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.8 p -77.23 -29.96 54.35 Favored 'General case' 0 C--N 1.396 2.594 0 C-N-CA 123.908 0.883 . . . . 0.0 111.008 175.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.72 -25.74 60.81 Favored 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 124.224 1.01 . . . . 0.0 113.146 173.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 m -59.42 -17.41 30.49 Favored 'General case' 0 C--N 1.413 3.343 0 C-N-CA 126.516 1.926 . . . . 0.0 112.86 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.417 ' C ' ' H ' ' A' ' 97' ' ' ARG . 1.0 OUTLIER -58.11 -0.82 0.09 Allowed 'General case' 0 N--CA 1.526 3.361 0 C-N-CA 127.394 2.278 . . . . 0.0 114.412 173.726 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -69.39 31.96 0.03 OUTLIER 'General case' 0 N--CA 1.525 3.287 0 C-N-CA 127.661 2.384 . . . . 0.0 113.574 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.417 ' H ' ' C ' ' A' ' 95' ' ' LEU . 35.6 ptt180 -115.04 -35.42 4.74 Favored 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 128.463 2.705 . . . . 0.0 113.012 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -75.14 0.3 Allowed 'General case' 0 C--N 1.379 1.884 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 -173.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -142.38 -97.37 0.12 Allowed 'General case' 0 N--CA 1.524 3.275 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -63.56 -21.89 66.59 Favored 'General case' 0 N--CA 1.514 2.739 0 C-N-CA 125.998 1.719 . . . . 0.0 115.115 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.73 -28.38 50.77 Favored 'General case' 0 CA--C 1.569 1.684 0 C-N-CA 125.741 1.616 . . . . 0.0 112.837 177.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -65.76 -54.01 32.78 Favored 'General case' 0 N--CA 1.515 2.809 0 C-N-CA 125.491 1.516 . . . . 0.0 114.303 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.89 -41.73 86.92 Favored Pre-proline 0 C--N 1.385 2.113 0 N-CA-C 121.002 3.704 . . . . 0.0 121.002 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.8 -29.86 28.08 Favored 'Trans proline' 1 C--N 1.442 5.493 0 CA-C-N 126.043 3.194 . . . . 0.0 114.585 -177.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.49 -124.78 5.34 Favored Glycine 0 C--N 1.368 2.328 0 O-C-N 125.687 1.867 . . . . 0.0 111.716 176.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.92 -49.19 2.5 Favored Glycine 0 N--CA 1.483 1.83 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -103.62 -32.03 9.62 Favored 'General case' 0 CA--C 1.57 1.737 0 C-N-CA 126.811 2.044 . . . . 0.0 110.22 177.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.9 mt -73.51 -28.43 61.9 Favored 'General case' 0 N--CA 1.51 2.561 0 C-N-CA 125.363 1.465 . . . . 0.0 114.417 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -69.9 -30.58 68.04 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 124.553 1.141 . . . . 0.0 110.2 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -68.32 -34.0 75.33 Favored 'General case' 0 C--N 1.386 2.155 0 C-N-CA 125.961 1.705 . . . . 0.0 111.4 174.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 6.0 mpt_? -76.36 -48.92 18.25 Favored 'General case' 0 C--N 1.385 2.119 0 C-N-CA 123.209 0.603 . . . . 0.0 110.537 177.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 mp -61.12 -60.95 2.95 Favored 'General case' 0 CA--C 1.599 2.831 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.41 -43.15 23.91 Favored 'General case' 0 C--N 1.385 2.143 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 42.8 mt-10 -72.05 -35.4 69.31 Favored 'General case' 0 N--CA 1.513 2.68 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.417 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.9 m-85 -66.0 -44.28 85.26 Favored 'General case' 0 C--N 1.391 2.374 0 CA-C-N 118.61 0.641 . . . . 0.0 112.211 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.26 -38.56 75.16 Favored 'General case' 0 C--N 1.391 2.379 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.5 -41.03 80.63 Favored 'General case' 0 N--CA 1.522 3.161 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -67.54 -34.86 77.95 Favored 'General case' 0 N--CA 1.505 2.318 0 C-N-CA 124.461 1.104 . . . . 0.0 111.691 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.18 -29.4 66.27 Favored 'General case' 0 C--N 1.382 1.994 0 C-N-CA 125.071 1.348 . . . . 0.0 112.38 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.79 -44.09 91.09 Favored 'General case' 0 N--CA 1.516 2.838 0 C-N-CA 125.153 1.381 . . . . 0.0 113.908 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -73.5 -39.88 64.51 Favored 'General case' 0 N--CA 1.509 2.517 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.52 -33.15 72.23 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 123.694 0.622 . . . . 0.0 110.271 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.0 -34.06 71.01 Favored 'General case' 0 C--N 1.381 1.939 0 C-N-CA 124.93 1.292 . . . . 0.0 111.783 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.83 91.38 Favored 'General case' 0 C--N 1.41 3.222 0 C-N-CA 125.593 1.557 . . . . 0.0 112.427 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 63.8 mtt -63.68 -39.74 95.08 Favored 'General case' 0 C--N 1.393 2.488 0 O-C-N 125.005 1.44 . . . . 0.0 110.621 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.437 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 89.9 mttt -68.55 -39.06 81.25 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 124.755 1.222 . . . . 0.0 109.891 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.66 -38.15 90.03 Favored 'General case' 0 C--N 1.401 2.839 0 C-N-CA 125.541 1.536 . . . . 0.0 114.611 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.94 -39.42 83.45 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 124.389 1.076 . . . . 0.0 110.958 176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -77.54 -21.68 52.22 Favored 'General case' 0 C--N 1.383 2.055 0 C-N-CA 124.562 1.145 . . . . 0.0 112.507 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 38.3 mt-10 -70.43 -36.18 73.82 Favored 'General case' 0 N--CA 1.513 2.678 0 C-N-CA 125.47 1.508 . . . . 0.0 110.728 175.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -66.73 -39.44 87.98 Favored 'General case' 0 C--N 1.387 2.237 0 C-N-CA 124.67 1.188 . . . . 0.0 110.709 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.89 -36.43 75.44 Favored 'General case' 0 C--N 1.392 2.424 0 C-N-CA 125.002 1.321 . . . . 0.0 112.002 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -69.27 -37.5 77.93 Favored 'General case' 0 C--N 1.39 2.359 0 C-N-CA 125.385 1.474 . . . . 0.0 112.085 177.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.19 85.79 Favored 'General case' 0 CA--C 1.571 1.752 0 C-N-CA 124.99 1.316 . . . . 0.0 113.39 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -89.79 -39.67 12.97 Favored 'General case' 0 C--N 1.386 2.158 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -106.0 -29.8 9.71 Favored 'General case' 0 C--N 1.393 2.485 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -175.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 33.9 m80 55.02 29.48 12.44 Favored 'General case' 0 N--CA 1.532 3.659 0 C-N-CA 127.423 2.289 . . . . 0.0 116.676 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.93 139.16 49.7 Favored Pre-proline 0 N--CA 1.503 2.214 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -56.03 -14.9 12.43 Favored 'Trans proline' 1 C--N 1.437 5.222 0 C-N-CA 124.839 3.693 . . . . 0.0 116.97 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -68.06 -39.11 83.07 Favored 'General case' 0 N--CA 1.53 3.527 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -77.81 -29.7 50.85 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 126.953 2.101 . . . . 0.0 109.85 -179.231 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.33 81.36 Favored 'General case' 0 C--N 1.376 1.73 0 C-N-CA 126.793 2.037 . . . . 0.0 110.524 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.13 -33.82 72.3 Favored 'General case' 0 C--N 1.382 1.985 0 O-C-N 124.15 0.906 . . . . 0.0 110.987 173.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.2 -42.94 65.21 Favored 'General case' 0 N--CA 1.51 2.553 0 C-N-CA 125.243 1.417 . . . . 0.0 114.756 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.0 mt -67.33 -42.0 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.192 0 C-N-CA 125.359 1.463 . . . . 0.0 109.099 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.9 m -62.59 -42.06 99.34 Favored 'General case' 0 CA--C 1.587 2.389 0 C-N-CA 125.983 1.713 . . . . 0.0 111.074 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.81 95.46 Favored 'General case' 0 N--CA 1.512 2.657 0 C-N-CA 124.621 1.169 . . . . 0.0 112.118 175.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.17 -27.93 61.93 Favored 'General case' 0 C--N 1.38 1.912 0 C-N-CA 125.303 1.441 . . . . 0.0 112.017 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -37.9 89.07 Favored 'General case' 0 C--N 1.391 2.408 0 C-N-CA 126.286 1.835 . . . . 0.0 112.57 177.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.77 -34.05 60.23 Favored 'General case' 0 C--N 1.388 2.246 0 C-N-CA 125.29 1.436 . . . . 0.0 110.111 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -71.54 -33.87 69.52 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.086 1.355 . . . . 0.0 112.634 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -38.38 87.69 Favored 'General case' 0 C--N 1.38 1.898 0 C-N-CA 124.885 1.274 . . . . 0.0 110.32 174.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.4 p -76.05 -38.24 57.36 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 123.718 0.636 . . . . 0.0 112.071 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -72.34 -28.95 63.38 Favored 'General case' 0 N--CA 1.514 2.752 0 C-N-CA 124.072 0.949 . . . . 0.0 113.326 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 5.4 t -74.19 -39.47 63.15 Favored 'General case' 0 C--N 1.384 2.08 0 C-N-CA 123.9 0.88 . . . . 0.0 109.844 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -60.62 -37.38 81.27 Favored 'General case' 0 C--N 1.391 2.409 0 C-N-CA 125.516 1.526 . . . . 0.0 112.318 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 5.5 m -71.13 -40.87 71.16 Favored 'General case' 0 CA--C 1.58 2.109 0 C-N-CA 125.116 1.366 . . . . 0.0 110.471 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.62 86.18 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 126.348 1.859 . . . . 0.0 113.111 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 28.4 mt -66.98 -40.8 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.011 0 C-N-CA 126.378 1.871 . . . . 0.0 109.96 175.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.4 99.34 Favored 'General case' 0 C--N 1.391 2.389 0 C-N-CA 124.754 1.221 . . . . 0.0 113.445 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.98 -39.81 83.24 Favored 'General case' 0 N--CA 1.515 2.784 0 C-N-CA 125.185 1.394 . . . . 0.0 113.0 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.4 p -70.83 -32.41 69.44 Favored 'General case' 0 N--CA 1.509 2.48 0 C-N-CA 124.654 1.182 . . . . 0.0 112.396 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -72.67 -31.32 64.98 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 124.918 1.287 . . . . 0.0 112.271 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.51 -38.57 84.47 Favored 'General case' 0 N--CA 1.511 2.616 0 C-N-CA 125.0 1.32 . . . . 0.0 113.119 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.498 ' O ' HG13 ' A' ' 169' ' ' ILE . . . -69.3 -37.06 77.63 Favored 'General case' 0 C--N 1.378 1.818 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.072 177.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.29 -29.23 65.93 Favored 'General case' 0 C--N 1.392 2.454 0 C-N-CA 125.684 1.593 . . . . 0.0 112.25 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -71.24 -29.11 64.71 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.413 1.485 . . . . 0.0 112.553 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.83 -24.02 23.84 Favored 'General case' 0 C--N 1.385 2.142 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -177.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 165' ' ' ALA . 0.6 OUTLIER -109.17 11.3 8.92 Favored 'Isoleucine or valine' 0 C--N 1.381 1.972 0 CA-C-O 121.03 0.443 . . . . 0.0 110.058 -175.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 97.5 m -49.91 -41.1 45.25 Favored 'General case' 0 C--N 1.382 2.016 0 O-C-N 125.48 1.737 . . . . 0.0 108.731 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 . . . . . 0 N--CA 1.491 1.59 0 CA-C-N 113.473 -1.694 . . . . 0.0 111.58 178.246 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mmt . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 120.778 0.323 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 57.56 68.57 0.83 Allowed 'General case' 0 N--CA 1.534 3.775 0 C-N-CA 127.146 2.178 . . . . 0.0 113.683 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 p -109.25 118.52 50.81 Favored Pre-proline 0 CA--C 1.579 2.064 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.735 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -61.64 119.96 7.35 Favored 'Trans proline' 1 C--N 1.435 5.079 0 C-N-CA 123.893 3.062 . . . . 0.0 114.881 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mt -100.22 -47.08 5.08 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 123.567 0.747 . . . . 0.0 111.85 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -37.42 54.03 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 125.199 1.399 . . . . 0.0 112.677 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -31.93 70.16 Favored 'General case' 0 C--N 1.38 1.924 0 C-N-CA 124.386 1.074 . . . . 0.0 110.685 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -69.08 -35.79 76.91 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.143 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -71.92 -41.29 68.05 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 124.117 0.967 . . . . 0.0 111.095 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 mt -58.33 -43.3 88.18 Favored 'General case' 0 C--N 1.391 2.41 0 C-N-CA 124.296 1.038 . . . . 0.0 112.126 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -65.83 -38.27 88.43 Favored 'General case' 0 C--N 1.4 2.771 0 C-N-CA 124.729 1.212 . . . . 0.0 114.088 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 11.9 m -67.97 -38.11 82.35 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.839 177.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.72 -30.06 70.52 Favored 'General case' 0 N--CA 1.512 2.632 0 C-N-CA 124.493 1.117 . . . . 0.0 112.274 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -76.28 -46.42 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.429 0 C-N-CA 124.859 1.264 . . . . 0.0 110.245 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.94 -27.4 64.73 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 123.928 0.891 . . . . 0.0 111.057 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.479 ' O ' HD23 ' A' ' 20' ' ' LEU . . . -64.55 -39.48 93.83 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 125.84 1.656 . . . . 0.0 109.505 170.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -25.43 61.03 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 125.075 1.35 . . . . 0.0 111.604 177.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -68.06 -39.01 83.09 Favored 'General case' 0 N--CA 1.513 2.718 0 C-N-CA 125.404 1.482 . . . . 0.0 111.556 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 p -88.13 -22.08 24.29 Favored 'General case' 0 CA--C 1.561 1.397 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 16' ' ' ALA . 3.7 mm? -94.13 -15.54 24.59 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 126.236 1.815 . . . . 0.0 112.908 -176.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.4 mt -108.0 -71.95 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.841 0 N-CA-C 100.496 -3.891 . . . . 0.0 100.496 172.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.451 ' O ' ' HB1' ' A' ' 25' ' ' ALA . . . 50.39 -95.57 0.01 OUTLIER Glycine 0 N--CA 1.49 2.28 0 O-C-N 127.569 3.043 . . . . 0.0 112.371 175.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -64.64 -8.68 18.12 Favored 'Trans proline' 1 C--N 1.419 4.276 0 C-N-CA 123.613 2.875 . . . . 0.0 115.696 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 mp -89.62 -4.65 57.71 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 126.351 1.86 . . . . 0.0 112.262 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 22' ' ' GLY . . . -61.97 -41.31 97.87 Favored 'General case' 0 N--CA 1.51 2.561 0 C-N-CA 126.951 2.1 . . . . 0.0 116.275 175.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -91.28 -32.98 15.52 Favored 'General case' 0 C--N 1.394 2.522 0 C-N-CA 124.227 1.011 . . . . 0.0 112.101 -177.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -106.41 127.83 53.58 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-N 113.833 -1.531 . . . . 0.0 112.214 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -81.64 116.86 21.58 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 121.688 0.756 . . . . 0.0 112.951 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -131.96 168.12 18.45 Favored 'General case' 0 N--CA 1.499 2.006 0 C-N-CA 125.621 1.568 . . . . 0.0 110.822 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -80.39 95.97 6.56 Favored 'General case' 0 CA--C 1.586 2.338 0 C-N-CA 124.401 1.08 . . . . 0.0 113.26 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.2 m -114.16 118.58 41.95 Favored Pre-proline 0 C--N 1.38 1.906 0 CA-C-O 118.702 -0.666 . . . . 0.0 110.729 176.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.51 -24.84 78.81 Favored 'Trans proline' 1 C--N 1.432 4.944 0 C-N-CA 124.037 3.158 . . . . 0.0 116.296 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -105.25 26.86 8.85 Favored 'General case' 0 CA--C 1.582 2.209 0 C-N-CA 124.359 1.063 . . . . 0.0 113.3 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.07 106.45 3.72 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 123.209 0.603 . . . . 0.0 109.423 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.64 93.57 4.01 Favored 'General case' 0 C--N 1.369 1.453 0 CA-C-O 122.023 0.916 . . . . 0.0 110.7 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -82.82 -11.0 58.59 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 113.598 -1.637 . . . . 0.0 113.788 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -80.24 -23.15 41.04 Favored 'General case' 0 N--CA 1.503 2.21 0 C-N-CA 123.961 0.905 . . . . 0.0 112.24 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.87 -3.42 42.01 Favored 'General case' 0 C--N 1.382 2.007 0 C-N-CA 124.357 1.063 . . . . 0.0 112.048 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -120.39 155.61 33.08 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 123.928 0.891 . . . . 0.0 113.244 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.58 112.16 17.67 Favored 'General case' 0 C--N 1.377 1.802 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.3 t -139.82 156.52 46.69 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.898 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -106.99 48.09 0.85 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -176.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.01 -69.44 0.49 Allowed Glycine 0 N--CA 1.489 2.188 0 N-CA-C 118.346 2.098 . . . . 0.0 118.346 171.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -176.63 59.27 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.425 0 CA-C-N 119.52 1.66 . . . . 0.0 109.985 -178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -137.73 140.21 40.57 Favored 'General case' 0 CA--C 1.562 1.407 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 -177.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.31 -23.65 62.88 Favored 'General case' 0 N--CA 1.525 3.285 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 170.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.75 -38.2 95.54 Favored Glycine 0 C--N 1.382 3.11 0 O-C-N 124.919 1.387 . . . . 0.0 114.113 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.28 -27.16 47.33 Favored 'General case' 0 C--N 1.392 2.436 0 C-N-CA 123.636 0.774 . . . . 0.0 112.657 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -80.76 -30.72 36.04 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -76.41 -37.96 56.3 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 124.834 1.254 . . . . 0.0 112.997 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -30.69 68.52 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 125.315 1.446 . . . . 0.0 111.411 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -81.31 -29.5 34.2 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 123.633 0.773 . . . . 0.0 109.575 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.38 -39.76 64.88 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 124.822 1.326 . . . . 0.0 111.994 177.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -67.21 -38.92 86.11 Favored 'General case' 0 N--CA 1.503 2.223 0 C-N-CA 125.178 1.391 . . . . 0.0 111.069 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -74.2 -27.25 60.71 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 126.331 1.852 . . . . 0.0 113.312 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 m -79.16 -30.56 43.59 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 123.543 0.737 . . . . 0.0 110.529 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tp -71.73 -40.13 69.61 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 125.017 1.327 . . . . 0.0 110.344 177.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 78.7 p -70.49 -34.89 72.87 Favored 'General case' 0 N--CA 1.506 2.357 0 C-N-CA 125.42 1.488 . . . . 0.0 113.951 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -76.24 -38.51 56.21 Favored 'General case' 0 N--CA 1.516 2.85 0 CA-C-N 119.378 0.99 . . . . 0.0 112.93 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.41 -35.98 80.38 Favored 'General case' 0 C--N 1.387 2.215 0 C-N-CA 124.714 1.206 . . . . 0.0 111.434 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.401 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -65.59 -31.6 72.73 Favored 'General case' 0 C--N 1.39 2.343 0 C-N-CA 125.661 1.584 . . . . 0.0 111.614 176.582 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.68 94.5 Favored 'General case' 0 C--N 1.389 2.287 0 C-N-CA 124.261 1.024 . . . . 0.0 113.492 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.27 -30.81 67.93 Favored 'General case' 0 N--CA 1.512 2.638 0 C-N-CA 123.401 0.68 . . . . 0.0 112.119 174.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 56.0 t -60.95 -39.89 83.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.797 0 C-N-CA 126.548 1.939 . . . . 0.0 110.107 175.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -53.95 -32.75 54.8 Favored 'General case' 0 C--N 1.397 2.64 0 C-N-CA 125.275 1.43 . . . . 0.0 112.912 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -69.53 -38.13 77.39 Favored 'General case' 0 C--N 1.4 2.778 0 C-N-CA 125.534 1.534 . . . . 0.0 112.292 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.01 32.26 3.11 Favored Glycine 0 C--N 1.374 2.664 0 N-CA-C 115.951 1.14 . . . . 0.0 115.951 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.92 114.65 22.28 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-O 121.927 0.87 . . . . 0.0 109.157 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.27 -34.54 76.37 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 112.607 -2.088 . . . . 0.0 113.146 -176.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.5 m -71.45 -38.01 71.34 Favored 'General case' 0 CA--C 1.575 1.917 0 C-N-CA 124.425 1.09 . . . . 0.0 111.174 177.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -75.14 -22.72 57.96 Favored 'General case' 0 N--CA 1.509 2.491 0 C-N-CA 123.77 0.828 . . . . 0.0 112.417 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 t -77.5 -47.1 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 125.473 1.509 . . . . 0.0 110.026 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.78 -38.0 82.81 Favored 'General case' 0 C--N 1.39 2.336 0 C-N-CA 127.469 2.307 . . . . 0.0 112.658 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -40.26 95.23 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 126.484 1.914 . . . . 0.0 109.828 172.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 tt -72.5 -37.98 68.25 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.928 1.291 . . . . 0.0 109.947 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.46 -40.4 97.02 Favored 'General case' 0 N--CA 1.514 2.727 0 C-N-CA 125.006 1.322 . . . . 0.0 112.299 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.72 -37.48 73.53 Favored 'General case' 0 N--CA 1.516 2.871 0 C-N-CA 126.098 1.759 . . . . 0.0 110.977 176.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -72.25 -30.17 64.62 Favored 'General case' 0 CA--C 1.573 1.827 0 C-N-CA 125.339 1.456 . . . . 0.0 110.822 174.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.5 -46.03 60.85 Favored 'General case' 0 C--N 1.375 1.714 0 C-N-CA 124.607 1.163 . . . . 0.0 112.104 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.05 -40.44 82.82 Favored 'General case' 0 C--N 1.388 2.259 0 C-N-CA 124.918 1.287 . . . . 0.0 112.854 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.33 -37.82 83.9 Favored 'General case' 0 C--N 1.39 2.345 0 C-N-CA 126.123 1.769 . . . . 0.0 112.271 178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -73.81 -27.26 61.03 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 123.653 0.781 . . . . 0.0 112.621 176.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 39.9 mt -63.4 -46.13 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.523 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.2 mt-10 -65.73 -44.73 85.11 Favored 'General case' 0 N--CA 1.507 2.384 0 C-N-CA 124.738 1.215 . . . . 0.0 112.071 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.74 -43.88 57.87 Favored 'General case' 0 C--N 1.377 1.787 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.6 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 8.6 mp -86.84 -42.99 12.81 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -175.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.534 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 4.6 mt-30 -67.13 -40.14 86.72 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 123.845 0.716 . . . . 0.0 112.058 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.4 mtt180 -79.43 -39.38 32.5 Favored 'General case' 0 C--N 1.385 2.11 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -75.72 -28.83 58.73 Favored 'General case' 0 C--N 1.39 2.355 0 CA-C-N 118.957 0.799 . . . . 0.0 110.543 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.6 ' HB1' ' O ' ' A' ' 86' ' ' LEU . . . -75.25 -29.18 60.13 Favored 'General case' 0 C--N 1.39 2.343 0 C-N-CA 123.954 0.901 . . . . 0.0 109.169 173.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -71.13 -33.32 69.99 Favored 'General case' 0 C--N 1.41 3.236 0 C-N-CA 124.902 1.281 . . . . 0.0 114.061 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.3 p -85.72 -23.09 27.5 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 123.811 0.844 . . . . 0.0 110.636 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.58 -25.62 50.14 Favored 'General case' 0 C--N 1.39 2.369 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.812 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.2 p -75.14 -10.82 59.83 Favored 'General case' 0 N--CA 1.515 2.782 0 C-N-CA 125.99 1.716 . . . . 0.0 112.299 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 mt -90.97 -32.72 15.84 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.492 1.117 . . . . 0.0 112.832 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -69.07 -34.63 75.46 Favored 'General case' 0 N--CA 1.507 2.412 0 C-N-CA 124.967 1.307 . . . . 0.0 112.466 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.24 -38.84 21.69 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 125.174 1.39 . . . . 0.0 114.516 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -41.14 -23.97 0.02 OUTLIER 'General case' 0 N--CA 1.535 3.791 0 C-N-CA 128.042 2.537 . . . . 0.0 115.835 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -65.15 -85.23 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 126.881 2.072 . . . . 0.0 115.868 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -117.14 -21.8 8.66 Favored 'General case' 0 N--CA 1.505 2.277 0 C-N-CA 124.187 0.995 . . . . 0.0 111.37 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.81 -9.05 59.06 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 127.437 2.295 . . . . 0.0 114.42 -176.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -48.68 -42.5 34.92 Favored 'General case' 0 N--CA 1.504 2.23 0 C-N-CA 127.069 2.148 . . . . 0.0 115.644 -170.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.4 mt -70.85 -54.4 7.86 Favored Pre-proline 0 CA--C 1.597 2.776 0 CA-C-O 116.338 -1.792 . . . . 0.0 114.355 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -83.82 5.87 6.1 Favored 'Trans proline' 1 C--N 1.446 5.705 0 C-N-CA 122.905 2.403 . . . . 0.0 115.684 176.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -121.1 0.55 11.66 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.507 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -104.31 2.36 43.43 Favored Glycine 0 C--N 1.367 2.286 0 C-N-CA 123.305 0.479 . . . . 0.0 114.147 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -94.63 -47.33 6.56 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 124.671 1.188 . . . . 0.0 111.24 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -29.26 58.85 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.944 1.298 . . . . 0.0 113.821 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -67.84 -36.66 80.72 Favored 'General case' 0 C--N 1.386 2.161 0 C-N-CA 123.995 0.918 . . . . 0.0 112.428 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.97 -37.31 85.66 Favored 'General case' 0 C--N 1.39 2.351 0 C-N-CA 125.836 1.654 . . . . 0.0 111.452 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 2.0 mpt_? -69.88 -47.87 60.91 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 124.122 0.969 . . . . 0.0 110.666 175.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.9 mp -59.12 -61.41 2.65 Favored 'General case' 0 CA--C 1.594 2.639 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.88 -48.0 8.15 Favored 'General case' 0 C--N 1.383 2.057 0 N-CA-C 116.524 2.046 . . . . 0.0 116.524 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.29 -37.39 71.86 Favored 'General case' 0 N--CA 1.51 2.55 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -178.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.476 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 17.3 m-85 -73.86 -32.23 63.54 Favored 'General case' 0 C--N 1.392 2.432 0 CA-C-N 118.474 0.579 . . . . 0.0 112.116 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -65.95 -38.11 87.77 Favored 'General case' 0 C--N 1.399 2.759 0 CA-C-O 118.613 -0.708 . . . . 0.0 112.506 175.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.92 -41.26 95.71 Favored 'General case' 0 N--CA 1.52 3.05 0 C-N-CA 125.288 1.435 . . . . 0.0 114.277 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -65.97 -37.2 85.38 Favored 'General case' 0 N--CA 1.508 2.435 0 C-N-CA 124.5 1.12 . . . . 0.0 112.491 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.79 -31.0 68.68 Favored 'General case' 0 C--N 1.378 1.828 0 C-N-CA 124.97 1.308 . . . . 0.0 112.229 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -64.99 -42.43 94.52 Favored 'General case' 0 N--CA 1.513 2.688 0 C-N-CA 125.57 1.548 . . . . 0.0 114.15 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -73.08 -38.67 66.34 Favored 'General case' 0 N--CA 1.508 2.426 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.78 -32.89 73.2 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 123.455 0.472 . . . . 0.0 110.128 173.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.19 -31.49 67.7 Favored 'General case' 0 C--N 1.382 1.995 0 C-N-CA 125.201 1.4 . . . . 0.0 112.328 175.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.6 -37.95 83.3 Favored 'General case' 0 C--N 1.406 3.059 0 C-N-CA 125.127 1.371 . . . . 0.0 111.327 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.75 -38.21 90.23 Favored 'General case' 0 C--N 1.395 2.571 0 C-N-CA 125.432 1.493 . . . . 0.0 110.623 176.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -66.87 -39.07 87.43 Favored 'General case' 0 C--N 1.39 2.342 0 C-N-CA 125.148 1.379 . . . . 0.0 110.653 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -72.99 -45.85 55.6 Favored 'General case' 0 C--N 1.392 2.448 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.09 -40.83 78.17 Favored 'General case' 0 N--CA 1.515 2.821 0 C-N-CA 124.501 1.12 . . . . 0.0 113.785 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.51 -33.19 72.47 Favored 'General case' 0 N--CA 1.502 2.175 0 C-N-CA 124.51 1.124 . . . . 0.0 111.415 178.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 31.9 tt0 -68.32 -36.52 79.41 Favored 'General case' 0 C--N 1.383 2.031 0 C-N-CA 125.397 1.479 . . . . 0.0 113.054 177.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -68.16 -43.77 77.51 Favored 'General case' 0 N--CA 1.509 2.475 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.97 -37.95 72.76 Favored 'General case' 0 C--N 1.39 2.33 0 CA-C-N 113.864 -1.516 . . . . 0.0 112.985 -177.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -87.61 -13.81 41.76 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 123.774 0.83 . . . . 0.0 113.029 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -63.81 -36.86 85.27 Favored 'General case' 0 N--CA 1.519 2.978 0 C-N-CA 125.678 1.591 . . . . 0.0 111.386 176.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -75.47 -16.01 60.36 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 126.028 1.731 . . . . 0.0 112.854 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -99.11 -27.39 13.85 Favored 'General case' 0 CA--C 1.579 2.081 0 C-N-CA 125.148 1.379 . . . . 0.0 110.518 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.36 24.94 3.16 Favored 'General case' 0 N--CA 1.528 3.447 0 C-N-CA 128.195 2.598 . . . . 0.0 116.163 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.441 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 6.7 m-20 -93.99 149.72 37.37 Favored Pre-proline 0 CA--C 1.578 2.056 0 CA-C-O 117.724 -1.131 . . . . 0.0 111.946 -179.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -49.7 -8.41 0.11 Allowed 'Trans proline' 2 C--N 1.442 5.496 1 C-N-CA 125.949 4.433 . . . . 0.0 118.708 178.88 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -67.58 -17.85 64.78 Favored 'General case' 0 N--CA 1.518 2.969 0 C-N-CA 124.266 1.026 . . . . 0.0 113.611 -178.365 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 138' ' ' ASP . 0.5 OUTLIER -76.89 -34.14 57.77 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.605 1.562 . . . . 0.0 109.965 177.34 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.51 -35.73 70.84 Favored 'General case' 0 C--N 1.386 2.175 0 C-N-CA 124.738 1.215 . . . . 0.0 111.011 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.22 -38.01 78.33 Favored 'General case' 0 CA--C 1.574 1.891 0 C-N-CA 123.961 0.904 . . . . 0.0 111.99 176.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 8.5 mt-10 -77.02 -47.29 21.06 Favored 'General case' 0 N--CA 1.512 2.63 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.4 mt -69.27 -41.57 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.911 0 C-N-CA 124.502 1.121 . . . . 0.0 110.897 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 93.0 m -62.56 -40.0 95.45 Favored 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 124.849 1.26 . . . . 0.0 110.982 177.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.26 97.86 Favored 'General case' 0 N--CA 1.513 2.68 0 C-N-CA 124.453 1.101 . . . . 0.0 113.221 177.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.08 -27.25 57.13 Favored 'General case' 0 C--N 1.381 1.937 0 C-N-CA 124.784 1.234 . . . . 0.0 111.973 177.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -37.01 81.23 Favored 'General case' 0 C--N 1.39 2.35 0 C-N-CA 125.951 1.701 . . . . 0.0 112.708 177.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -75.18 -36.7 61.45 Favored 'General case' 0 C--N 1.388 2.271 0 C-N-CA 125.491 1.516 . . . . 0.0 110.073 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -70.68 -35.1 72.65 Favored 'General case' 0 C--N 1.385 2.117 0 C-N-CA 125.532 1.533 . . . . 0.0 112.461 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.13 -39.74 95.55 Favored 'General case' 0 C--N 1.383 2.056 0 C-N-CA 124.764 1.226 . . . . 0.0 109.938 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.9 p -78.04 -40.28 39.27 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 124.015 0.822 . . . . 0.0 113.155 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -70.7 -36.68 73.39 Favored 'General case' 0 N--CA 1.512 2.636 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 15.0 p -75.09 -38.41 61.21 Favored 'General case' 0 C--N 1.38 1.9 0 CA-C-O 118.961 -0.543 . . . . 0.0 112.287 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -64.02 -37.68 88.31 Favored 'General case' 0 C--N 1.385 2.129 0 C-N-CA 124.993 1.317 . . . . 0.0 112.773 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 23.0 m -72.32 -44.09 63.19 Favored 'General case' 0 N--CA 1.5 2.025 0 C-N-CA 124.564 1.145 . . . . 0.0 112.195 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.69 78.25 Favored 'General case' 0 C--N 1.377 1.768 0 C-N-CA 125.276 1.43 . . . . 0.0 113.115 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 35.8 mt -71.14 -40.21 74.76 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.871 0 C-N-CA 125.477 1.511 . . . . 0.0 111.185 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.67 97.03 Favored 'General case' 0 C--N 1.396 2.596 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.99 -41.79 77.35 Favored 'General case' 0 N--CA 1.514 2.757 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.8 p -71.12 -37.95 72.32 Favored 'General case' 0 N--CA 1.51 2.538 0 C-N-CA 124.01 0.924 . . . . 0.0 112.926 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -72.03 -34.39 68.76 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 123.962 0.905 . . . . 0.0 112.579 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -65.6 -36.3 83.33 Favored 'General case' 0 N--CA 1.514 2.753 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.87 -33.31 70.49 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 124.481 1.112 . . . . 0.0 111.668 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.5 mt -79.87 -36.56 36.42 Favored 'General case' 0 N--CA 1.501 2.1 0 C-N-CA 125.18 1.392 . . . . 0.0 112.541 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.67 -26.45 59.86 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 125.753 1.621 . . . . 0.0 114.38 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -50.48 -42.24 54.29 Favored 'General case' 0 C--N 1.398 2.701 0 C-N-CA 126.914 2.086 . . . . 0.0 113.16 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -101.84 177.62 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.416 0 CA-C-N 112.473 -2.149 . . . . 0.0 107.394 -178.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.53 4.33 36.38 Favored 'General case' 0 CA--C 1.578 2.035 0 CA-C-N 114.418 -1.265 . . . . 0.0 110.438 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 . . . . . 0 N--CA 1.499 1.981 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.259 -177.221 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mtt . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.187 0.518 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -115.46 127.69 55.51 Favored 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 124.136 0.974 . . . . 0.0 110.839 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.44 124.27 24.3 Favored Pre-proline 0 CA--C 1.574 1.877 0 C-N-CA 123.556 0.743 . . . . 0.0 111.9 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -60.19 -27.06 84.1 Favored 'Trans proline' 1 C--N 1.433 4.975 0 C-N-CA 124.156 3.237 . . . . 0.0 117.286 178.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mt -74.54 -36.29 63.14 Favored 'General case' 0 N--CA 1.506 2.334 0 C-N-CA 123.88 0.872 . . . . 0.0 111.832 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -34.03 55.2 Favored 'General case' 0 C--N 1.375 1.683 0 C-N-CA 125.472 1.509 . . . . 0.0 112.303 178.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.61 -31.68 68.75 Favored 'General case' 0 C--N 1.381 1.943 0 C-N-CA 124.174 0.989 . . . . 0.0 109.248 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -66.28 -38.07 86.92 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.566 1.146 . . . . 0.0 111.661 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.8 m -71.69 -41.16 68.98 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 124.187 0.995 . . . . 0.0 110.918 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mt -58.4 -43.74 88.71 Favored 'General case' 0 C--N 1.387 2.218 0 O-C-N 124.32 1.012 . . . . 0.0 112.231 173.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -65.68 -39.94 91.82 Favored 'General case' 0 C--N 1.4 2.795 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.464 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 2.4 m -70.2 -36.99 74.97 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.47 178.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.76 -30.5 71.49 Favored 'General case' 0 N--CA 1.505 2.321 0 C-N-CA 124.158 0.983 . . . . 0.0 111.638 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.7 t -75.95 -46.01 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.359 0 C-N-CA 125.524 1.529 . . . . 0.0 111.038 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.26 68.48 Favored 'General case' 0 N--CA 1.505 2.311 0 C-N-CA 123.351 0.661 . . . . 0.0 111.405 175.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 12' ' ' THR . . . -66.15 -40.11 90.31 Favored 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 125.567 1.547 . . . . 0.0 110.334 171.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -36.2 70.64 Favored 'General case' 0 C--N 1.38 1.915 0 C-N-CA 124.382 1.073 . . . . 0.0 110.886 178.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -59.67 -41.53 90.85 Favored 'General case' 0 N--CA 1.505 2.3 0 C-N-CA 127.484 2.314 . . . . 0.0 111.647 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.28 -15.16 59.57 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 177.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.64 -19.48 17.52 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.534 1.133 . . . . 0.0 109.738 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.39 15.41 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 127.206 2.202 . . . . 0.0 111.555 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.81 -78.96 0.15 Allowed Glycine 0 N--CA 1.486 2.028 0 CA-C-O 117.353 -1.804 . . . . 0.0 114.453 -173.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -66.2 -2.04 6.36 Favored 'Trans proline' 0 CA--C 1.602 3.916 0 C-N-CA 123.469 2.779 . . . . 0.0 116.838 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 mt -90.74 -13.13 34.64 Favored 'General case' 0 CA--C 1.584 2.262 0 C-N-CA 125.352 1.461 . . . . 0.0 112.522 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.11 -42.94 95.81 Favored 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 127.492 2.317 . . . . 0.0 115.405 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.52 -31.97 12.51 Favored 'General case' 0 C--N 1.385 2.109 0 C-N-CA 124.763 1.225 . . . . 0.0 110.453 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -100.59 91.53 4.7 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.575 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -101.15 129.28 47.03 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -133.08 -63.07 0.78 Allowed 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.827 1.251 . . . . 0.0 110.394 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -143.89 152.21 40.85 Favored 'General case' 0 C--N 1.383 2.06 0 C-N-CA 124.969 1.308 . . . . 0.0 108.954 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 m -112.12 104.28 55.9 Favored Pre-proline 0 C--N 1.391 2.396 0 C-N-CA 123.079 0.551 . . . . 0.0 112.11 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -82.15 -59.1 0.03 OUTLIER 'Trans proline' 1 C--N 1.433 4.98 0 C-N-CA 122.316 2.01 . . . . 0.0 116.189 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -118.83 19.51 13.09 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 125.369 1.467 . . . . 0.0 113.625 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -73.0 110.32 7.2 Favored 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 123.05 0.54 . . . . 0.0 109.959 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.95 88.86 2.91 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 117.9 -1.52 . . . . 0.0 109.163 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -83.0 7.02 16.83 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 113.589 -1.642 . . . . 0.0 113.526 -177.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -79.47 -28.11 41.55 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.304 1.042 . . . . 0.0 110.574 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.44 -6.88 32.9 Favored 'General case' 0 C--N 1.391 2.412 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -117.12 153.67 32.38 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 122.957 0.503 . . . . 0.0 112.294 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.01 109.54 14.23 Favored 'General case' 0 C--N 1.381 1.967 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.6 t -157.73 140.41 14.8 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 113.406 -1.725 . . . . 0.0 108.575 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -83.05 -31.65 27.26 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.219 -1.355 . . . . 0.0 112.835 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.21 81.75 1.32 Allowed Glycine 0 C--N 1.377 2.828 0 N-CA-C 107.717 -2.153 . . . . 0.0 107.717 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.79 -54.06 1.14 Allowed 'General case' 0 C--N 1.377 1.782 0 CA-C-O 121.177 0.513 . . . . 0.0 110.639 -173.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HG2' ' H ' ' A' ' 47' ' ' GLY 0.257 55.9 ttt180 -177.58 175.59 1.38 Allowed 'General case' 0 C--N 1.413 3.347 0 O-C-N 126.134 2.146 . . . . 0.0 112.477 -172.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.1 mt -67.86 -22.01 65.14 Favored 'General case' 0 N--CA 1.537 3.896 0 C-N-CA 125.228 1.411 . . . . 0.0 108.683 168.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.408 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.91 -35.03 81.12 Favored Glycine 0 C--N 1.375 2.737 0 C-N-CA 126.355 1.931 . . . . 0.0 114.822 177.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.06 -21.41 54.5 Favored 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 117.721 0.761 . . . . 0.0 111.791 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -81.98 -32.56 30.59 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.827 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -77.12 -35.1 56.56 Favored 'General case' 0 C--N 1.372 1.578 0 C-N-CA 124.953 1.301 . . . . 0.0 112.621 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.62 -38.88 77.41 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 125.3 1.44 . . . . 0.0 111.6 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -74.37 -30.07 61.83 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 123.485 0.714 . . . . 0.0 111.424 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.11 -38.91 69.23 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 113.848 -1.524 . . . . 0.0 111.684 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -37.68 75.95 Favored 'General case' 0 N--CA 1.502 2.165 0 C-N-CA 123.989 0.916 . . . . 0.0 110.84 175.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.91 -24.49 61.65 Favored 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 126.211 1.804 . . . . 0.0 112.551 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.14 -31.41 39.01 Favored 'General case' 0 C--N 1.382 1.997 0 C-N-CA 123.755 0.822 . . . . 0.0 109.809 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.3 tp -72.71 -40.2 66.36 Favored 'General case' 0 C--N 1.384 2.097 0 C-N-CA 124.911 1.284 . . . . 0.0 110.809 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.2 p -71.82 -32.38 67.51 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 125.783 1.633 . . . . 0.0 113.066 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -77.46 -35.27 54.02 Favored 'General case' 0 N--CA 1.507 2.406 0 C-N-CA 123.609 0.764 . . . . 0.0 112.657 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -71.03 -32.55 69.33 Favored 'General case' 0 C--N 1.386 2.195 0 C-N-CA 124.898 1.279 . . . . 0.0 111.358 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -32.93 74.49 Favored 'General case' 0 C--N 1.387 2.227 0 C-N-CA 126.306 1.842 . . . . 0.0 111.864 176.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.6 89.29 Favored 'General case' 0 C--N 1.392 2.454 0 C-N-CA 123.816 0.846 . . . . 0.0 111.284 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.62 -27.9 69.25 Favored 'General case' 0 C--N 1.395 2.571 0 C-N-CA 125.235 1.414 . . . . 0.0 113.475 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 82.1 t -64.32 -38.91 83.76 Favored 'Isoleucine or valine' 0 C--N 1.382 2.002 0 C-N-CA 125.391 1.476 . . . . 0.0 108.58 175.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -68.94 -11.71 60.94 Favored 'General case' 0 N--CA 1.502 2.169 0 C-N-CA 125.824 1.649 . . . . 0.0 112.263 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -88.11 -39.23 14.74 Favored 'General case' 0 C--N 1.38 1.926 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 172.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.85 39.87 0.87 Allowed Glycine 0 C--N 1.381 3.046 0 N-CA-C 116.889 1.516 . . . . 0.0 116.889 171.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.05 105.31 16.03 Favored 'General case' 0 C--N 1.374 1.673 0 CA-C-O 121.676 0.75 . . . . 0.0 109.459 176.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.15 -20.95 60.81 Favored 'General case' 0 N--CA 1.505 2.29 0 CA-C-N 114.048 -1.433 . . . . 0.0 112.3 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.9 m -71.1 -36.57 72.23 Favored 'General case' 0 CA--C 1.569 1.703 0 C-N-CA 125.504 1.522 . . . . 0.0 110.215 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -75.47 -22.12 57.51 Favored 'General case' 0 C--N 1.393 2.461 0 C-N-CA 124.087 0.955 . . . . 0.0 111.791 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.5 t -75.68 -49.4 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 C-N-CA 126.607 1.963 . . . . 0.0 109.968 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.0 -36.45 80.01 Favored 'General case' 0 C--N 1.379 1.862 0 C-N-CA 127.018 2.127 . . . . 0.0 112.691 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -46.93 84.43 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 125.924 1.689 . . . . 0.0 108.939 173.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.2 -40.52 97.73 Favored 'General case' 0 N--CA 1.509 2.501 0 O-C-N 124.792 1.308 . . . . 0.0 111.457 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.01 95.36 Favored 'General case' 0 N--CA 1.511 2.581 0 C-N-CA 124.779 1.231 . . . . 0.0 112.898 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.75 -37.88 73.47 Favored 'General case' 0 N--CA 1.519 2.992 0 C-N-CA 126.071 1.748 . . . . 0.0 111.64 177.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -71.04 -30.34 66.51 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 124.996 1.318 . . . . 0.0 110.24 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.85 -47.04 70.07 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 124.522 1.129 . . . . 0.0 112.162 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.44 -40.06 81.26 Favored 'General case' 0 C--N 1.384 2.101 0 C-N-CA 124.789 1.236 . . . . 0.0 113.257 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.44 81.81 Favored 'General case' 0 C--N 1.389 2.294 0 C-N-CA 125.712 1.605 . . . . 0.0 112.492 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -73.83 -27.31 61.04 Favored 'General case' 0 C--N 1.376 1.736 0 C-N-CA 123.957 0.903 . . . . 0.0 112.642 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.7 mt -63.04 -46.28 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.564 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.45 -44.58 82.42 Favored 'General case' 0 N--CA 1.505 2.29 0 C-N-CA 124.652 1.181 . . . . 0.0 112.355 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.35 -45.24 56.24 Favored 'General case' 0 C--N 1.379 1.863 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.685 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 6.4 mp -85.11 -45.64 11.88 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -175.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -65.53 -36.87 85.09 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -76.54 -41.02 48.12 Favored 'General case' 0 CA--C 1.595 2.7 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -75.26 -29.7 60.25 Favored 'General case' 0 C--N 1.402 2.856 0 CA-C-N 118.962 0.801 . . . . 0.0 109.78 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.685 ' HB1' ' O ' ' A' ' 86' ' ' LEU . . . -77.38 -22.87 51.03 Favored 'General case' 0 C--N 1.384 2.075 0 C-N-CA 125.646 1.578 . . . . 0.0 110.801 174.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.16 95.6 Favored 'General case' 0 C--N 1.41 3.219 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 p -78.8 -27.74 44.49 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 124.058 0.943 . . . . 0.0 111.726 174.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 97' ' ' ARG . . . -57.64 -28.33 63.62 Favored 'General case' 0 N--CA 1.502 2.158 0 C-N-CA 124.676 1.191 . . . . 0.0 112.424 173.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -8.43 1.3 Allowed 'General case' 0 C--N 1.421 3.705 0 C-N-CA 127.08 2.152 . . . . 0.0 112.845 175.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.63 -55.39 3.15 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 178.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -73.76 -3.63 29.63 Favored 'General case' 0 N--CA 1.519 2.992 0 CA-C-O 123.095 1.426 . . . . 0.0 109.339 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 93' ' ' ALA . 1.3 ttp180 -60.27 -36.1 77.04 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 130.034 3.334 . . . . 0.0 116.245 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.56 -6.19 30.56 Favored 'General case' 0 C--N 1.37 1.478 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 -171.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . 0.281 8.8 mt-10 -110.58 -60.05 1.87 Allowed 'General case' 0 N--CA 1.518 2.941 0 N-CA-C 118.786 2.884 . . . . 0.0 118.786 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.41 -16.09 12.51 Favored 'General case' 0 N--CA 1.52 3.033 0 CA-C-N 120.656 1.571 . . . . 0.0 112.099 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.7 -22.4 27.85 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 126.767 2.027 . . . . 0.0 112.933 176.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -66.13 -56.63 10.47 Favored 'General case' 0 N--CA 1.511 2.592 0 C-N-CA 125.235 1.414 . . . . 0.0 114.806 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.3 mt -69.06 -35.96 6.87 Favored Pre-proline 0 N--CA 1.506 2.346 0 N-CA-C 120.676 3.584 . . . . 0.0 120.676 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -57.19 -18.05 28.17 Favored 'Trans proline' 1 C--N 1.441 5.446 0 CA-C-N 124.901 2.786 . . . . 0.0 118.948 -175.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.86 -26.58 0.07 OUTLIER Glycine 0 C--N 1.355 1.598 0 CA-C-O 118.361 -1.244 . . . . 0.0 114.43 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.68 -70.82 0.7 Allowed Glycine 0 C--N 1.383 3.149 0 CA-C-N 118.875 1.337 . . . . 0.0 112.804 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -106.94 37.37 2.37 Favored 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 124.775 1.23 . . . . 0.0 110.846 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 46.5 mt -63.73 -47.34 81.43 Favored 'General case' 0 N--CA 1.512 2.656 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -71.06 -36.84 72.44 Favored 'General case' 0 C--N 1.376 1.723 0 C-N-CA 125.599 1.56 . . . . 0.0 110.302 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.57 -29.68 69.81 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 124.686 1.195 . . . . 0.0 111.33 173.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.579 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -77.1 -48.82 16.74 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 123.324 0.65 . . . . 0.0 110.206 175.21 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.99 -63.69 1.05 Allowed 'General case' 0 CA--C 1.595 2.682 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.03 -43.58 28.97 Favored 'General case' 0 C--N 1.384 2.108 0 N-CA-C 117.347 2.351 . . . . 0.0 117.347 -177.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -75.07 -29.62 60.73 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.579 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.1 m-85 -70.78 -37.57 73.35 Favored 'General case' 0 C--N 1.389 2.285 0 CA-C-O 118.795 -0.621 . . . . 0.0 111.337 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -66.09 -39.71 90.21 Favored 'General case' 0 N--CA 1.509 2.506 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.19 -42.9 71.78 Favored 'General case' 0 N--CA 1.52 3.058 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -70.85 -35.67 72.53 Favored 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 124.031 0.932 . . . . 0.0 112.641 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -73.75 -24.3 59.86 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 124.511 1.124 . . . . 0.0 111.879 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -65.58 -49.39 68.98 Favored 'General case' 0 C--N 1.392 2.426 0 C-N-CA 125.513 1.525 . . . . 0.0 113.547 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -75.02 -34.46 61.9 Favored 'General case' 0 N--CA 1.51 2.533 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.9 -32.74 73.15 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 123.843 0.715 . . . . 0.0 110.018 172.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.39 -34.01 70.01 Favored 'General case' 0 C--N 1.384 2.095 0 C-N-CA 124.674 1.19 . . . . 0.0 112.524 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.43 93.48 Favored 'General case' 0 C--N 1.407 3.096 0 C-N-CA 125.646 1.579 . . . . 0.0 112.141 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 64.2 mtt -64.52 -39.42 93.74 Favored 'General case' 0 C--N 1.389 2.297 0 O-C-N 125.053 1.47 . . . . 0.0 110.339 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 96.3 mttt -68.86 -38.07 79.52 Favored 'General case' 0 C--N 1.389 2.318 0 C-N-CA 124.559 1.144 . . . . 0.0 110.351 175.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -63.9 -38.43 91.06 Favored 'General case' 0 C--N 1.401 2.811 0 C-N-CA 125.511 1.524 . . . . 0.0 114.551 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.13 -40.1 82.56 Favored 'General case' 0 N--CA 1.506 2.349 0 C-N-CA 124.356 1.063 . . . . 0.0 111.263 177.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -75.48 -24.78 56.97 Favored 'General case' 0 C--N 1.382 2.021 0 C-N-CA 124.448 1.099 . . . . 0.0 112.593 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 38.5 mt-10 -69.29 -37.05 77.65 Favored 'General case' 0 N--CA 1.515 2.775 0 C-N-CA 125.42 1.488 . . . . 0.0 111.454 176.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -66.89 -38.61 86.61 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 124.731 1.212 . . . . 0.0 110.742 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.91 -36.29 75.26 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 125.007 1.323 . . . . 0.0 111.811 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -69.37 -36.47 76.85 Favored 'General case' 0 C--N 1.392 2.442 0 C-N-CA 125.203 1.401 . . . . 0.0 112.143 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.06 -37.09 84.97 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 124.975 1.31 . . . . 0.0 113.134 176.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -90.21 -39.38 12.83 Favored 'General case' 0 C--N 1.387 2.232 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -107.05 -30.0 9.07 Favored 'General case' 0 C--N 1.393 2.494 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -175.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 55.94 26.88 10.34 Favored 'General case' 0 N--CA 1.533 3.692 0 C-N-CA 127.398 2.279 . . . . 0.0 116.398 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.78 139.33 62.24 Favored Pre-proline 0 N--CA 1.504 2.265 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -56.38 -15.84 16.27 Favored 'Trans proline' 1 C--N 1.438 5.258 0 C-N-CA 124.741 3.628 . . . . 0.0 116.394 177.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 52.2 mt-30 -69.04 -38.28 79.06 Favored 'General case' 0 N--CA 1.527 3.376 0 C-N-CA 124.369 1.068 . . . . 0.0 113.128 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.428 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -78.18 -29.48 48.57 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 126.654 1.981 . . . . 0.0 109.914 -179.307 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.71 78.34 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 126.735 2.014 . . . . 0.0 110.262 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.41 -33.19 71.07 Favored 'General case' 0 C--N 1.381 1.965 0 C-N-CA 124.163 0.985 . . . . 0.0 110.863 173.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 37.6 mt-10 -72.36 -43.41 64.07 Favored 'General case' 0 N--CA 1.512 2.664 0 C-N-CA 125.083 1.353 . . . . 0.0 114.555 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.6 mt -66.95 -43.23 89.38 Favored 'Isoleucine or valine' 0 C--N 1.407 3.101 0 C-N-CA 125.141 1.376 . . . . 0.0 109.091 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.3 m -62.19 -41.95 98.82 Favored 'General case' 0 CA--C 1.588 2.407 0 C-N-CA 125.98 1.712 . . . . 0.0 111.352 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.93 90.43 Favored 'General case' 0 N--CA 1.513 2.69 0 C-N-CA 124.464 1.106 . . . . 0.0 111.904 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 25.0 mt -73.24 -27.09 61.39 Favored 'General case' 0 C--N 1.38 1.897 0 C-N-CA 125.267 1.427 . . . . 0.0 112.164 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.78 -37.16 86.33 Favored 'General case' 0 C--N 1.393 2.476 0 C-N-CA 125.696 1.598 . . . . 0.0 111.606 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -75.18 -36.79 61.44 Favored 'General case' 0 C--N 1.39 2.362 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.322 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -71.26 -35.12 71.28 Favored 'General case' 0 C--N 1.387 2.2 0 C-N-CA 124.919 1.288 . . . . 0.0 113.112 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -38.36 90.76 Favored 'General case' 0 C--N 1.379 1.872 0 C-N-CA 124.605 1.162 . . . . 0.0 110.017 175.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.5 p -77.63 -39.65 44.51 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 124.031 0.832 . . . . 0.0 112.675 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -70.48 -34.32 72.24 Favored 'General case' 0 N--CA 1.517 2.895 0 C-N-CA 124.177 0.991 . . . . 0.0 113.636 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 80.8 m -71.37 -38.72 71.55 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 123.685 0.794 . . . . 0.0 110.435 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -57.78 -38.9 76.26 Favored 'General case' 0 C--N 1.393 2.466 0 C-N-CA 125.884 1.674 . . . . 0.0 113.184 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.01 -42.55 47.66 Favored 'General case' 0 CA--C 1.578 2.025 0 C-N-CA 124.475 1.11 . . . . 0.0 112.343 178.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.87 -38.46 83.1 Favored 'General case' 0 C--N 1.38 1.922 0 C-N-CA 125.58 1.552 . . . . 0.0 113.502 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 29.6 mt -69.22 -40.47 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.796 0 C-N-CA 125.946 1.698 . . . . 0.0 110.845 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.48 -42.47 98.57 Favored 'General case' 0 C--N 1.391 2.409 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.81 -41.56 71.44 Favored 'General case' 0 N--CA 1.515 2.796 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.2 p -70.87 -37.75 73.08 Favored 'General case' 0 N--CA 1.511 2.617 0 C-N-CA 124.312 1.045 . . . . 0.0 113.507 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -75.29 -28.96 59.95 Favored 'General case' 0 C--N 1.376 1.728 0 C-N-CA 123.973 0.909 . . . . 0.0 112.973 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -68.54 -37.66 80.15 Favored 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.44 73.46 Favored 'General case' 0 C--N 1.377 1.768 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.84 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.8 mt -73.85 -32.42 63.64 Favored 'General case' 0 C--N 1.388 2.263 0 C-N-CA 125.743 1.617 . . . . 0.0 112.631 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.06 -27.09 61.54 Favored 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 125.295 1.438 . . . . 0.0 113.358 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.78 -15.18 45.84 Favored 'General case' 0 C--N 1.381 1.953 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -178.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -101.71 -9.23 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 C-N-CA 123.797 0.839 . . . . 0.0 112.265 -177.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.2 t -100.85 6.13 43.63 Favored 'General case' 0 CA--C 1.58 2.133 0 C-N-CA 125.034 1.334 . . . . 0.0 111.068 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 . . . . . 0 N--CA 1.497 1.908 0 C-N-CA 123.786 0.835 . . . . 0.0 111.864 -176.173 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mmt . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 120.954 0.407 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 60.68 76.56 0.36 Allowed 'General case' 0 N--CA 1.528 3.446 0 C-N-CA 127.448 2.299 . . . . 0.0 113.79 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.73 -52.34 0.06 OUTLIER Pre-proline 0 CA--C 1.585 2.299 0 CA-C-O 116.001 -1.952 . . . . 0.0 113.542 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -71.21 114.84 4.05 Favored 'Trans proline' 1 C--N 1.452 6.011 0 CA-C-N 124.071 2.49 . . . . 0.0 114.795 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -99.42 -46.58 5.45 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 123.494 0.718 . . . . 0.0 111.552 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -41.22 42.17 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 125.485 1.514 . . . . 0.0 112.575 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -33.38 73.22 Favored 'General case' 0 C--N 1.382 2.001 0 O-C-N 124.557 1.161 . . . . 0.0 111.795 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -35.27 75.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 124.617 1.198 . . . . 0.0 111.179 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.5 m -71.55 -41.2 69.39 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 124.042 0.937 . . . . 0.0 111.133 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.02 -43.66 91.61 Favored 'General case' 0 C--N 1.388 2.241 0 O-C-N 124.339 1.025 . . . . 0.0 111.715 173.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -45.26 89.43 Favored 'General case' 0 C--N 1.397 2.642 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 1.3 m -70.11 -35.61 74.25 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 117.824 -1.084 . . . . 0.0 111.489 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.16 -28.68 70.22 Favored 'General case' 0 N--CA 1.509 2.517 0 C-N-CA 124.073 0.949 . . . . 0.0 112.007 175.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.1 t -77.09 -46.66 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.462 0 C-N-CA 125.636 1.575 . . . . 0.0 111.735 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.14 -29.67 66.65 Favored 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 123.698 0.799 . . . . 0.0 111.745 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 12' ' ' THR . . . -66.83 -40.04 87.85 Favored 'General case' 0 N--CA 1.513 2.723 0 C-N-CA 125.902 1.681 . . . . 0.0 110.19 171.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -35.92 74.65 Favored 'General case' 0 C--N 1.378 1.834 0 C-N-CA 125.066 1.347 . . . . 0.0 110.622 177.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -59.83 -43.19 94.71 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 127.194 2.197 . . . . 0.0 112.056 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.19 -14.45 59.06 Favored 'General case' 0 N--CA 1.499 2.014 0 C-N-CA 124.105 0.962 . . . . 0.0 113.232 178.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 mp -97.55 -17.73 19.39 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.532 1.133 . . . . 0.0 109.141 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.88 16.24 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 127.036 2.135 . . . . 0.0 111.069 176.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.78 -77.15 0.28 Allowed Glycine 0 C--N 1.366 2.222 0 CA-C-O 116.687 -2.174 . . . . 0.0 114.163 -172.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.4 -3.04 8.19 Favored 'Trans proline' 1 C--N 1.421 4.392 0 CA-C-N 122.364 3.082 . . . . 0.0 115.776 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.1 mt -88.43 -13.74 39.71 Favored 'General case' 0 CA--C 1.58 2.131 0 C-N-CA 125.169 1.388 . . . . 0.0 111.995 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.43 -42.5 98.85 Favored 'General case' 0 N--CA 1.508 2.448 0 C-N-CA 126.72 2.008 . . . . 0.0 114.58 176.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.3 m -87.55 -30.38 20.6 Favored 'General case' 0 C--N 1.392 2.432 0 C-N-CA 124.9 1.28 . . . . 0.0 112.064 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -97.8 98.54 9.92 Favored 'General case' 0 N--CA 1.498 1.925 0 CA-C-N 114.957 -1.02 . . . . 0.0 111.34 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -97.69 116.7 30.42 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 114.7 -1.137 . . . . 0.0 112.893 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -136.87 -65.21 0.56 Allowed 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 124.645 1.178 . . . . 0.0 110.618 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -140.6 150.88 44.17 Favored 'General case' 0 C--N 1.382 1.996 0 C-N-CA 124.953 1.301 . . . . 0.0 108.994 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.1 m -111.04 104.58 56.37 Favored Pre-proline 0 C--N 1.391 2.391 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.91 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -80.28 -58.69 0.03 OUTLIER 'Trans proline' 1 C--N 1.433 4.977 0 C-N-CA 122.06 1.84 . . . . 0.0 115.555 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -121.26 17.87 11.49 Favored 'General case' 0 C--N 1.386 2.176 0 C-N-CA 125.009 1.323 . . . . 0.0 113.405 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.02 109.48 7.55 Favored 'General case' 0 N--CA 1.502 2.169 0 C-N-CA 122.94 0.496 . . . . 0.0 110.093 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.58 88.99 2.97 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 118.239 -1.385 . . . . 0.0 109.8 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -83.42 3.41 32.03 Favored 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 113.522 -1.672 . . . . 0.0 113.907 -177.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -80.03 -22.44 42.39 Favored 'General case' 0 C--N 1.371 1.518 0 C-N-CA 124.559 1.144 . . . . 0.0 111.336 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -93.15 -5.26 50.59 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 123.919 0.888 . . . . 0.0 112.672 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -118.22 152.84 34.92 Favored 'General case' 0 C--N 1.382 1.986 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.91 105.25 9.46 Favored 'General case' 0 C--N 1.384 2.092 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 0.4 OUTLIER -178.77 172.68 1.33 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 113.144 -1.843 . . . . 0.0 110.222 -177.556 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -86.91 -41.08 14.25 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 176.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.3 78.87 0.12 Allowed Glycine 0 N--CA 1.509 3.516 0 N-CA-C 119.428 2.531 . . . . 0.0 119.428 169.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.85 19.69 2.32 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 69.8 ttt180 -152.6 146.66 25.37 Favored 'General case' 0 C--N 1.389 2.313 0 C-N-CA 126.237 1.815 . . . . 0.0 110.422 -175.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.08 -25.58 64.5 Favored 'General case' 0 N--CA 1.524 3.272 0 C-N-CA 124.032 0.933 . . . . 0.0 110.665 172.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -60.09 -39.42 95.75 Favored Glycine 0 N--CA 1.5 2.936 0 C-N-CA 125.022 1.296 . . . . 0.0 116.24 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.479 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 3.0 m-20 -75.45 -24.94 57.06 Favored 'General case' 0 N--CA 1.513 2.685 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -83.95 -30.61 26.12 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.407 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.87 -37.99 64.57 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 125.194 1.398 . . . . 0.0 111.675 177.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -33.7 74.12 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 125.491 1.517 . . . . 0.0 111.62 177.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -74.32 -31.7 62.56 Favored 'General case' 0 C--N 1.377 1.761 0 C-N-CA 123.692 0.797 . . . . 0.0 110.991 176.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.72 -40.54 72.75 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 113.754 -1.566 . . . . 0.0 111.967 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -68.61 -36.36 78.57 Favored 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 124.526 1.13 . . . . 0.0 111.16 175.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -72.0 -24.64 61.6 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 126.87 2.068 . . . . 0.0 112.289 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.8 m -76.34 -32.61 58.76 Favored 'General case' 0 C--N 1.387 2.22 0 C-N-CA 124.449 1.1 . . . . 0.0 109.889 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.5 -37.31 68.43 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 123.658 0.783 . . . . 0.0 112.459 177.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.9 p -69.97 -44.82 68.69 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -75.42 -30.02 59.91 Favored 'General case' 0 N--CA 1.517 2.91 0 CA-C-N 121.101 1.773 . . . . 0.0 113.441 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -70.28 -31.49 68.87 Favored 'General case' 0 C--N 1.393 2.483 0 C-N-CA 123.531 0.733 . . . . 0.0 111.713 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.51 -31.7 71.14 Favored 'General case' 0 C--N 1.388 2.261 0 C-N-CA 125.944 1.698 . . . . 0.0 111.188 175.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.62 -39.93 92.03 Favored 'General case' 0 C--N 1.387 2.228 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.608 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.5 -28.72 69.39 Favored 'General case' 0 C--N 1.396 2.616 0 C-N-CA 124.923 1.289 . . . . 0.0 112.91 174.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.34 -40.01 87.44 Favored 'Isoleucine or valine' 0 C--N 1.382 2.011 0 C-N-CA 125.4 1.48 . . . . 0.0 108.893 175.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -67.03 -16.43 64.35 Favored 'General case' 0 N--CA 1.506 2.33 0 C-N-CA 125.982 1.713 . . . . 0.0 112.326 174.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -79.65 -38.46 33.65 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 172.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.04 34.32 1.68 Allowed Glycine 0 C--N 1.38 3.009 0 N-CA-C 116.564 1.385 . . . . 0.0 116.564 171.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.55 108.8 21.6 Favored 'General case' 0 C--N 1.373 1.628 0 CA-C-O 121.925 0.869 . . . . 0.0 109.41 177.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.47 -22.21 61.1 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 113.563 -1.653 . . . . 0.0 112.435 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.3 m -71.3 -37.09 71.84 Favored 'General case' 0 CA--C 1.571 1.773 0 C-N-CA 125.136 1.374 . . . . 0.0 110.029 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -74.79 -22.7 58.6 Favored 'General case' 0 C--N 1.393 2.463 0 C-N-CA 124.366 1.066 . . . . 0.0 111.99 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.7 t -75.38 -47.73 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 C-N-CA 126.34 1.856 . . . . 0.0 109.561 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.56 -35.99 80.08 Favored 'General case' 0 C--N 1.381 1.976 0 C-N-CA 127.067 2.147 . . . . 0.0 112.372 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -38.95 89.5 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 126.069 1.748 . . . . 0.0 110.27 173.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.0 tt -72.05 -39.25 69.21 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 125.178 1.391 . . . . 0.0 109.281 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.86 94.22 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 124.736 1.214 . . . . 0.0 112.193 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.76 -39.31 76.77 Favored 'General case' 0 N--CA 1.517 2.897 0 C-N-CA 125.956 1.702 . . . . 0.0 111.621 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -72.67 -28.94 63.02 Favored 'General case' 0 CA--C 1.574 1.898 0 C-N-CA 125.066 1.347 . . . . 0.0 110.582 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.59 -46.62 63.09 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 124.057 0.943 . . . . 0.0 111.59 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.25 -40.12 82.03 Favored 'General case' 0 C--N 1.386 2.18 0 C-N-CA 125.017 1.327 . . . . 0.0 112.996 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.64 85.42 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 125.82 1.648 . . . . 0.0 112.05 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -73.43 -27.55 61.5 Favored 'General case' 0 C--N 1.376 1.728 0 C-N-CA 123.674 0.79 . . . . 0.0 112.633 176.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.523 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 34.6 mt -63.33 -45.81 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.392 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.37 -45.82 78.81 Favored 'General case' 0 N--CA 1.507 2.404 0 C-N-CA 124.803 1.241 . . . . 0.0 112.398 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.52 -42.82 64.37 Favored 'General case' 0 C--N 1.38 1.904 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.664 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 4.4 mm? -85.7 -46.33 10.83 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -175.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 28.0 mt-30 -65.22 -37.71 88.12 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 123.765 0.665 . . . . 0.0 112.75 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -75.67 -42.52 51.0 Favored 'General case' 0 CA--C 1.586 2.336 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 178.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -72.0 -31.94 66.7 Favored 'General case' 0 N--CA 1.514 2.752 0 CA-C-N 119.731 1.151 . . . . 0.0 110.152 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -74.99 -24.93 58.51 Favored 'General case' 0 C--N 1.383 2.03 0 C-N-CA 125.078 1.351 . . . . 0.0 110.799 175.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.5 85.26 Favored 'General case' 0 C--N 1.415 3.426 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 -177.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 p -79.57 -19.94 48.19 Favored 'General case' 0 C--N 1.395 2.558 0 C-N-CA 126.22 1.808 . . . . 0.0 111.687 176.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.21 -35.18 73.73 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.054 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.2 p -77.44 -11.87 59.89 Favored 'General case' 0 C--N 1.404 2.956 0 C-N-CA 124.586 1.154 . . . . 0.0 112.725 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 tt -93.51 -29.05 15.72 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 127.166 2.186 . . . . 0.0 110.083 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -83.36 8.19 14.37 Favored 'General case' 0 CA--C 1.57 1.718 0 C-N-CA 124.162 0.985 . . . . 0.0 112.459 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -78.47 -9.88 59.49 Favored 'General case' 0 N--CA 1.521 3.121 0 C-N-CA 125.701 1.6 . . . . 0.0 110.062 176.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -62.86 -46.51 87.53 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 109.911 -3.313 . . . . 0.0 104.729 169.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -148.46 -87.93 0.08 Allowed 'General case' 0 N--CA 1.528 3.446 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 176.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -32.18 -46.91 0.13 Allowed 'General case' 0 N--CA 1.526 3.345 0 N-CA-C 118.05 2.611 . . . . 0.0 118.05 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.15 -23.1 38.52 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -79.1 -4.03 48.29 Favored 'General case' 0 N--CA 1.507 2.412 0 C-N-CA 127.515 2.326 . . . . 0.0 113.488 -174.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 mt -75.67 -57.49 1.56 Allowed Pre-proline 0 CA--C 1.592 2.586 0 CA-C-O 116.431 -1.747 . . . . 0.0 110.926 -173.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -89.32 -8.5 4.62 Favored 'Trans proline' 1 C--N 1.455 6.158 0 CA-C-N 123.281 2.208 . . . . 0.0 115.838 174.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -108.54 -135.31 7.46 Favored Glycine 0 C--N 1.363 2.038 0 N-CA-C 116.867 1.507 . . . . 0.0 116.867 -176.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.72 -30.69 9.09 Favored Glycine 0 CA--C 1.542 1.735 0 CA-C-N 112.893 -1.653 . . . . 0.0 110.337 -173.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -119.88 -19.95 7.73 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 126.628 1.971 . . . . 0.0 110.565 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.83 -28.77 64.86 Favored 'General case' 0 N--CA 1.516 2.872 0 C-N-CA 125.26 1.424 . . . . 0.0 113.378 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -67.48 -35.12 78.54 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 125.129 1.372 . . . . 0.0 110.853 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -65.91 -35.69 81.31 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 125.57 1.548 . . . . 0.0 111.382 174.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -72.02 -49.54 36.03 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 123.639 0.776 . . . . 0.0 110.921 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.02 -60.9 2.52 Favored 'General case' 0 CA--C 1.589 2.479 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.86 -42.69 60.43 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 -177.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 41.6 mt-10 -71.04 -37.16 72.56 Favored 'General case' 0 N--CA 1.51 2.56 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -67.55 -39.52 84.96 Favored 'General case' 0 C--N 1.386 2.193 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 178.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -70.02 -39.5 75.77 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.5 -42.44 71.32 Favored 'General case' 0 N--CA 1.518 2.944 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -70.05 -36.95 75.38 Favored 'General case' 0 N--CA 1.503 2.219 0 C-N-CA 124.362 1.065 . . . . 0.0 112.561 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -73.49 -25.9 60.66 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 124.384 1.074 . . . . 0.0 112.537 177.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -48.33 68.26 Favored 'General case' 0 C--N 1.392 2.414 0 C-N-CA 125.165 1.386 . . . . 0.0 113.393 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -72.16 -38.2 69.2 Favored 'General case' 0 N--CA 1.508 2.459 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.92 -33.91 72.51 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 123.794 0.684 . . . . 0.0 110.326 174.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.3 mt -70.81 -34.87 72.18 Favored 'General case' 0 C--N 1.379 1.859 0 C-N-CA 124.684 1.194 . . . . 0.0 112.764 176.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.47 93.84 Favored 'General case' 0 C--N 1.408 3.114 0 C-N-CA 125.682 1.593 . . . . 0.0 111.93 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.0 mtt -63.83 -39.44 94.23 Favored 'General case' 0 C--N 1.389 2.317 0 O-C-N 125.026 1.454 . . . . 0.0 110.353 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 90.5 mttt -68.5 -38.75 81.24 Favored 'General case' 0 C--N 1.39 2.368 0 C-N-CA 124.74 1.216 . . . . 0.0 110.32 176.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -65.4 -36.97 85.56 Favored 'General case' 0 C--N 1.398 2.68 0 C-N-CA 125.206 1.402 . . . . 0.0 114.749 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.44 -39.89 85.44 Favored 'General case' 0 N--CA 1.508 2.433 0 C-N-CA 124.287 1.035 . . . . 0.0 111.114 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -76.24 -23.16 54.52 Favored 'General case' 0 C--N 1.382 1.996 0 C-N-CA 124.466 1.106 . . . . 0.0 112.486 177.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 43.2 mt-10 -69.04 -36.7 78.01 Favored 'General case' 0 N--CA 1.513 2.721 0 C-N-CA 125.269 1.428 . . . . 0.0 111.142 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -67.04 -39.36 86.94 Favored 'General case' 0 C--N 1.386 2.188 0 C-N-CA 124.831 1.253 . . . . 0.0 110.625 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.8 -37.76 79.47 Favored 'General case' 0 C--N 1.391 2.387 0 C-N-CA 124.946 1.298 . . . . 0.0 111.951 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -70.64 -33.48 71.04 Favored 'General case' 0 C--N 1.391 2.375 0 C-N-CA 124.911 1.284 . . . . 0.0 112.045 177.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.63 -37.9 87.88 Favored 'General case' 0 CA--C 1.573 1.851 0 C-N-CA 125.011 1.324 . . . . 0.0 113.124 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -90.41 -40.23 12.18 Favored 'General case' 0 C--N 1.385 2.122 0 N-CA-C 116.142 1.905 . . . . 0.0 116.142 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -105.8 -30.09 9.62 Favored 'General case' 0 C--N 1.394 2.505 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -174.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 55.31 26.32 8.48 Favored 'General case' 0 N--CA 1.532 3.67 0 C-N-CA 127.389 2.276 . . . . 0.0 116.494 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.45 137.77 63.67 Favored Pre-proline 0 N--CA 1.502 2.164 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -56.43 -15.19 14.52 Favored 'Trans proline' 1 C--N 1.435 5.121 0 C-N-CA 124.695 3.596 . . . . 0.0 116.784 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -68.68 -38.25 80.2 Favored 'General case' 0 N--CA 1.526 3.355 0 C-N-CA 124.268 1.027 . . . . 0.0 113.164 -178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -77.79 -30.01 51.11 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 126.664 1.985 . . . . 0.0 110.055 -179.649 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.67 -37.68 79.8 Favored 'General case' 0 C--N 1.376 1.747 0 C-N-CA 126.85 2.06 . . . . 0.0 110.198 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.9 -33.85 72.75 Favored 'General case' 0 C--N 1.38 1.893 0 C-N-CA 124.157 0.983 . . . . 0.0 110.71 173.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.14 -42.68 65.71 Favored 'General case' 0 N--CA 1.512 2.636 0 C-N-CA 125.087 1.355 . . . . 0.0 114.391 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 6.5 mt -66.68 -43.43 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.17 0 C-N-CA 125.309 1.444 . . . . 0.0 109.139 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.2 m -62.75 -42.03 99.48 Favored 'General case' 0 CA--C 1.588 2.436 0 C-N-CA 125.916 1.686 . . . . 0.0 111.272 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.58 -39.0 92.32 Favored 'General case' 0 N--CA 1.513 2.703 0 C-N-CA 124.603 1.161 . . . . 0.0 112.173 175.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.52 -26.88 61.07 Favored 'General case' 0 C--N 1.38 1.922 0 C-N-CA 125.127 1.371 . . . . 0.0 112.036 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.76 -36.96 85.99 Favored 'General case' 0 C--N 1.393 2.491 0 C-N-CA 125.796 1.638 . . . . 0.0 111.781 176.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -74.96 -35.53 62.1 Favored 'General case' 0 C--N 1.392 2.424 0 C-N-CA 125.564 1.546 . . . . 0.0 110.044 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -70.48 -33.35 71.13 Favored 'General case' 0 C--N 1.389 2.299 0 C-N-CA 125.441 1.496 . . . . 0.0 112.717 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.66 -37.83 85.61 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 124.873 1.269 . . . . 0.0 109.424 174.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 18.3 p -77.12 -35.57 56.18 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 123.767 0.667 . . . . 0.0 112.362 176.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -69.87 -35.06 74.38 Favored 'General case' 0 N--CA 1.518 2.958 0 C-N-CA 124.084 0.954 . . . . 0.0 113.179 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 82.5 m -69.4 -38.05 77.78 Favored 'General case' 0 C--N 1.386 2.187 0 C-N-CA 123.965 0.906 . . . . 0.0 110.205 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -58.35 -38.34 77.02 Favored 'General case' 0 C--N 1.393 2.483 0 C-N-CA 126.274 1.83 . . . . 0.0 112.303 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.9 m -67.19 -42.95 83.33 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 125.267 1.427 . . . . 0.0 110.799 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.46 -38.78 88.1 Favored 'General case' 0 C--N 1.382 2.01 0 C-N-CA 126.043 1.737 . . . . 0.0 112.576 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 37.8 mt -67.88 -43.12 86.21 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.071 0 C-N-CA 126.074 1.749 . . . . 0.0 110.169 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.15 93.46 Favored 'General case' 0 C--N 1.39 2.36 0 C-N-CA 124.613 1.165 . . . . 0.0 113.857 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.74 -39.36 87.9 Favored 'General case' 0 N--CA 1.512 2.654 0 C-N-CA 125.04 1.336 . . . . 0.0 113.398 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.2 p -71.46 -31.9 67.7 Favored 'General case' 0 N--CA 1.51 2.547 0 C-N-CA 124.385 1.074 . . . . 0.0 112.549 178.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.04 -35.86 77.07 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 125.153 1.381 . . . . 0.0 111.874 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.57 -35.98 81.54 Favored 'General case' 0 N--CA 1.513 2.712 0 C-N-CA 125.389 1.475 . . . . 0.0 112.244 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -66.71 -33.7 76.22 Favored 'General case' 0 N--CA 1.501 2.096 0 C-N-CA 124.912 1.285 . . . . 0.0 111.507 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.8 mt -76.88 -33.03 57.85 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 125.263 1.425 . . . . 0.0 112.358 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -69.38 -44.56 71.24 Favored 'General case' 0 N--CA 1.511 2.62 0 C-N-CA 126.305 1.842 . . . . 0.0 114.742 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -86.61 -34.57 19.81 Favored 'General case' 0 C--N 1.374 1.669 0 C-N-CA 125.367 1.467 . . . . 0.0 113.949 -177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . 0.298 0.9 OUTLIER 26.14 42.6 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.535 3.809 0 C-N-CA 128.268 2.627 . . . . 0.0 116.9 -175.472 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' THR . . . . . 0.4 ' H ' ' H ' ' A' ' 171' ' ' ARG . 0.6 OUTLIER -154.53 -15.7 0.12 Allowed 'General case' 0 C--O 1.249 1.043 0 CA-C-N 111.486 -2.597 . . . . 0.0 109.529 179.461 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . 0.4 ' H ' ' H ' ' A' ' 170' ' ' THR . 92.7 mtt180 . . . . . 0 N--CA 1.53 3.552 0 C-N-CA 126.85 2.06 . . . . 0.0 113.198 -176.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 mtt . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.013 0.435 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -101.72 -27.99 12.73 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 124.028 0.931 . . . . 0.0 112.798 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.43 125.51 29.11 Favored Pre-proline 0 CA--C 1.577 1.987 0 C-N-CA 123.819 0.847 . . . . 0.0 111.418 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -62.45 120.73 8.41 Favored 'Trans proline' 1 C--N 1.431 4.911 0 C-N-CA 123.666 2.911 . . . . 0.0 115.622 178.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.0 -49.61 4.06 Favored 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 123.963 0.905 . . . . 0.0 111.403 177.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.26 -37.93 51.98 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 125.361 1.464 . . . . 0.0 112.697 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -32.18 70.56 Favored 'General case' 0 C--N 1.381 1.938 0 C-N-CA 124.327 1.051 . . . . 0.0 110.248 178.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -36.35 79.25 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 124.534 1.146 . . . . 0.0 111.26 176.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -72.12 -41.12 67.57 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 123.709 0.804 . . . . 0.0 110.889 177.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.11 -43.56 91.91 Favored 'General case' 0 C--N 1.388 2.282 0 O-C-N 124.506 1.129 . . . . 0.0 112.216 173.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -66.17 -40.15 90.29 Favored 'General case' 0 C--N 1.4 2.804 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 6.3 m -70.11 -36.72 75.06 Favored 'General case' 0 C--N 1.377 1.802 0 CA-C-O 117.246 -1.359 . . . . 0.0 110.172 178.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.29 -28.66 70.17 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 119.173 0.897 . . . . 0.0 111.718 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.6 t -75.57 -46.85 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 C-N-CA 125.225 1.41 . . . . 0.0 110.584 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.57 -28.78 65.16 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 118.972 0.805 . . . . 0.0 111.212 175.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 12' ' ' THR . . . -62.94 -39.44 94.63 Favored 'General case' 0 N--CA 1.507 2.384 0 C-N-CA 125.155 1.382 . . . . 0.0 108.803 171.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.98 -34.73 71.68 Favored 'General case' 0 C--N 1.375 1.693 0 CA-C-O 117.421 -1.276 . . . . 0.0 111.186 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -57.76 -42.79 84.71 Favored 'General case' 0 N--CA 1.531 3.599 0 C-N-CA 125.792 1.637 . . . . 0.0 112.699 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.66 -15.26 46.02 Favored 'General case' 0 CA--C 1.562 1.404 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mp -99.12 -18.61 17.62 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.706 0.803 . . . . 0.0 110.365 -176.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 pp -107.37 -19.13 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 125.255 1.422 . . . . 0.0 112.287 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 25' ' ' ALA . . . -45.47 -69.81 0.73 Allowed Glycine 0 C--N 1.379 2.923 0 CA-C-O 116.894 -2.059 . . . . 0.0 114.016 -178.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.31 -22.79 16.57 Favored 'Trans proline' 0 CA--C 1.597 3.666 0 CA-C-N 121.904 2.852 . . . . 0.0 116.705 174.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.0 0.3 57.47 Favored 'General case' 0 CA--C 1.587 2.381 0 C-N-CA 124.884 1.274 . . . . 0.0 113.462 177.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 22' ' ' GLY . . . -67.46 -44.0 79.67 Favored 'General case' 0 N--CA 1.51 2.532 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 177.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.6 m -88.15 -34.12 17.97 Favored 'General case' 0 C--N 1.392 2.432 0 C-N-CA 123.789 0.836 . . . . 0.0 111.897 -178.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -98.77 120.18 38.78 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-N 114.106 -1.406 . . . . 0.0 112.028 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -108.12 123.85 49.33 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 123.738 0.815 . . . . 0.0 112.75 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -135.48 -70.01 0.49 Allowed 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 124.497 1.119 . . . . 0.0 110.336 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -148.57 151.45 35.1 Favored 'General case' 0 CA--C 1.577 2.015 0 C-N-CA 125.507 1.523 . . . . 0.0 108.425 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.0 m -110.93 106.29 57.53 Favored Pre-proline 0 C--N 1.392 2.454 0 C-N-CA 123.387 0.675 . . . . 0.0 112.361 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -81.52 -58.9 0.03 OUTLIER 'Trans proline' 1 C--N 1.435 5.099 0 C-N-CA 122.001 1.801 . . . . 0.0 116.111 177.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -120.6 17.44 12.03 Favored 'General case' 0 C--N 1.386 2.181 0 C-N-CA 125.119 1.367 . . . . 0.0 112.117 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.95 108.92 5.45 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 123.58 0.752 . . . . 0.0 109.595 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.26 95.4 5.55 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 118.728 -1.189 . . . . 0.0 111.305 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.01 0.58 47.54 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 113.733 -1.576 . . . . 0.0 113.402 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -77.97 -23.54 48.41 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 124.421 1.088 . . . . 0.0 111.546 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.03 -6.56 47.99 Favored 'General case' 0 C--N 1.39 2.334 0 C-N-CA 123.361 0.664 . . . . 0.0 112.392 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.2 153.17 34.31 Favored 'General case' 0 C--N 1.383 2.022 0 C-N-CA 123.73 0.812 . . . . 0.0 112.764 -178.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.46 104.9 9.0 Favored 'General case' 0 C--N 1.385 2.128 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.478 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 0.5 OUTLIER -174.79 174.37 2.6 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 113.51 -1.677 . . . . 0.0 110.964 -178.223 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -87.99 -40.85 13.55 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 175.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.21 65.71 3.28 Favored Glycine 0 N--CA 1.509 3.512 0 N-CA-C 119.802 2.681 . . . . 0.0 119.802 169.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.89 21.13 4.97 Favored 'General case' 0 C--N 1.371 1.506 0 CA-C-N 119.805 1.803 . . . . 0.0 106.632 176.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -150.23 144.0 25.33 Favored 'General case' 0 C--N 1.385 2.112 0 C-N-CA 126.022 1.729 . . . . 0.0 110.333 -176.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.44 -24.25 62.86 Favored 'General case' 0 N--CA 1.521 3.079 0 C-N-CA 123.991 0.917 . . . . 0.0 110.429 173.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.3 -39.26 97.49 Favored Glycine 0 C--N 1.378 2.914 0 C-N-CA 125.134 1.35 . . . . 0.0 115.918 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.478 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 3.0 m-20 -73.83 -26.75 60.76 Favored 'General case' 0 N--CA 1.517 2.879 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -82.85 -29.79 29.15 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.9 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.61 -37.07 60.07 Favored 'General case' 0 C--N 1.376 1.725 0 C-N-CA 125.195 1.398 . . . . 0.0 112.691 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -30.45 68.31 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 125.247 1.419 . . . . 0.0 111.137 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -77.63 -29.77 51.93 Favored 'General case' 0 C--N 1.375 1.7 0 C-N-CA 123.687 0.795 . . . . 0.0 109.923 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.14 71.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 125.136 1.522 . . . . 0.0 111.905 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -36.7 74.87 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 123.685 0.794 . . . . 0.0 111.797 174.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.27 -25.37 61.58 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 126.386 1.874 . . . . 0.0 112.536 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.4 m -77.45 -32.79 54.69 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 124.176 0.991 . . . . 0.0 109.873 178.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.61 -39.38 70.52 Favored 'General case' 0 CA--C 1.583 2.236 0 C-N-CA 125.51 1.524 . . . . 0.0 111.687 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.5 p -70.68 -44.57 66.74 Favored 'General case' 0 N--CA 1.509 2.514 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -75.04 -27.93 60.22 Favored 'General case' 0 N--CA 1.523 3.179 0 CA-C-N 120.979 1.718 . . . . 0.0 113.824 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.06 -32.13 70.09 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 123.641 0.776 . . . . 0.0 111.492 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -30.75 69.54 Favored 'General case' 0 C--N 1.386 2.179 0 C-N-CA 125.449 1.5 . . . . 0.0 111.27 175.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.64 92.61 Favored 'General case' 0 C--N 1.39 2.334 0 C-N-CA 124.359 1.063 . . . . 0.0 112.024 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.83 -27.54 68.95 Favored 'General case' 0 C--N 1.394 2.52 0 C-N-CA 125.065 1.346 . . . . 0.0 112.841 173.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.85 -38.98 84.12 Favored 'Isoleucine or valine' 0 C--N 1.382 1.985 0 C-N-CA 125.271 1.428 . . . . 0.0 108.374 174.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -64.53 -24.84 67.74 Favored 'General case' 0 N--CA 1.511 2.617 0 C-N-CA 125.581 1.553 . . . . 0.0 111.746 173.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -70.87 -39.51 72.83 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 118.856 0.753 . . . . 0.0 109.166 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.5 27.95 4.21 Favored Glycine 0 C--N 1.378 2.906 0 N-CA-C 115.854 1.101 . . . . 0.0 115.854 171.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.5 114.95 27.25 Favored 'General case' 0 C--N 1.372 1.581 0 CA-C-O 121.955 0.884 . . . . 0.0 110.02 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.34 -27.34 63.3 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 113.017 -1.901 . . . . 0.0 112.361 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.0 m -71.34 -37.92 71.69 Favored 'General case' 0 CA--C 1.571 1.773 0 C-N-CA 125.273 1.429 . . . . 0.0 110.279 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -74.72 -22.58 58.74 Favored 'General case' 0 C--N 1.388 2.254 0 C-N-CA 124.403 1.081 . . . . 0.0 112.005 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.3 t -76.29 -46.44 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 C-N-CA 125.675 1.59 . . . . 0.0 109.517 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.32 81.59 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 127.159 2.184 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -37.96 86.14 Favored 'General case' 0 N--CA 1.503 2.209 0 C-N-CA 126.711 2.004 . . . . 0.0 110.26 173.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.26 -38.69 68.81 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 125.499 1.52 . . . . 0.0 109.116 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.7 91.52 Favored 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 125.103 1.361 . . . . 0.0 112.245 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.79 -38.74 76.76 Favored 'General case' 0 N--CA 1.519 3.009 0 C-N-CA 126.024 1.729 . . . . 0.0 111.187 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -72.93 -29.26 62.97 Favored 'General case' 0 CA--C 1.574 1.885 0 C-N-CA 125.366 1.466 . . . . 0.0 110.611 174.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.52 -46.76 63.01 Favored 'General case' 0 C--N 1.377 1.762 0 C-N-CA 124.209 1.003 . . . . 0.0 111.9 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.4 -39.74 81.56 Favored 'General case' 0 C--N 1.384 2.105 0 C-N-CA 124.886 1.274 . . . . 0.0 112.914 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.51 -37.28 82.57 Favored 'General case' 0 C--N 1.388 2.281 0 C-N-CA 125.818 1.647 . . . . 0.0 112.399 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -73.55 -27.67 61.46 Favored 'General case' 0 C--N 1.375 1.716 0 C-N-CA 123.755 0.822 . . . . 0.0 112.638 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.495 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 28.6 mt -63.51 -45.64 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.275 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 175.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.0 mt-10 -66.93 -45.97 76.22 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 124.475 1.11 . . . . 0.0 112.505 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.82 -44.88 54.39 Favored 'General case' 0 C--N 1.378 1.806 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.9 mp -85.63 -44.76 12.33 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -174.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 34.9 mt-30 -68.5 -37.75 80.37 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 124.0 0.813 . . . . 0.0 113.016 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 6.5 mtt180 -78.17 -34.03 49.9 Favored 'General case' 0 C--N 1.387 2.206 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 178.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.07 -25.01 51.86 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-N 119.098 0.863 . . . . 0.0 109.634 177.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 86' ' ' LEU . . . -76.52 -30.6 57.22 Favored 'General case' 0 C--N 1.389 2.297 0 C-N-CA 124.402 1.081 . . . . 0.0 109.424 174.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.3 -29.22 63.65 Favored 'General case' 0 C--N 1.403 2.893 0 C-N-CA 125.638 1.575 . . . . 0.0 112.683 178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.05 -22.56 27.15 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.373 1.069 . . . . 0.0 109.821 175.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.59 -27.23 51.25 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 125.37 1.468 . . . . 0.0 112.067 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.3 p -78.63 -11.3 59.96 Favored 'General case' 0 N--CA 1.514 2.744 0 C-N-CA 125.384 1.474 . . . . 0.0 111.471 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.3 tt -93.17 -38.08 11.76 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 127.342 2.257 . . . . 0.0 109.498 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -76.85 -0.4 23.91 Favored 'General case' 0 C--N 1.372 1.549 0 C-N-CA 124.901 1.28 . . . . 0.0 111.74 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -72.26 -10.89 60.38 Favored 'General case' 0 N--CA 1.509 2.492 0 C-N-CA 125.664 1.586 . . . . 0.0 112.248 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -60.66 -44.83 95.98 Favored 'General case' 0 CA--C 1.576 1.954 0 CA-C-N 110.318 -3.128 . . . . 0.0 106.129 170.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -154.57 -33.67 0.1 Allowed 'General case' 1 N--CA 1.541 4.107 0 N-CA-C 119.848 3.277 . . . . 0.0 119.848 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.16 -38.18 12.3 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 124.867 1.267 . . . . 0.0 113.604 -175.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.29 -23.9 34.97 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -81.3 -1.23 44.39 Favored 'General case' 0 C--N 1.382 2.017 0 C-N-CA 126.995 2.118 . . . . 0.0 111.159 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.4 mt -65.81 -53.13 37.52 Favored Pre-proline 0 C--N 1.389 2.319 0 CA-C-O 115.327 -2.273 . . . . 0.0 112.977 -171.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -64.74 -40.72 21.15 Favored 'Trans proline' 1 C--N 1.459 6.351 0 CA-C-N 124.586 2.673 . . . . 0.0 113.819 174.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.36 151.13 24.0 Favored Glycine 0 C--N 1.374 2.673 0 N-CA-C 116.066 1.186 . . . . 0.0 116.066 173.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 96.05 -126.58 8.84 Favored Glycine 0 N--CA 1.473 1.14 0 N-CA-C 118.366 2.106 . . . . 0.0 118.366 172.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -92.79 21.43 5.6 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 -175.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.18 -43.16 71.35 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 119.488 1.04 . . . . 0.0 112.502 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -72.72 -34.8 67.35 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 125.044 1.337 . . . . 0.0 111.588 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.15 -36.89 84.32 Favored 'General case' 0 C--N 1.383 2.06 0 C-N-CA 125.563 1.545 . . . . 0.0 111.087 173.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.539 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 3.0 mpt_? -75.08 -50.51 16.18 Favored 'General case' 0 C--N 1.371 1.529 0 CA-C-O 118.587 -0.72 . . . . 0.0 111.106 176.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.47 -60.35 3.03 Favored 'General case' 0 CA--C 1.597 2.778 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.96 -42.35 19.54 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 40.0 mt-10 -71.76 -35.52 70.11 Favored 'General case' 0 N--CA 1.512 2.651 0 CA-C-N 119.597 1.089 . . . . 0.0 113.688 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.539 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.3 m-85 -66.76 -41.03 88.41 Favored 'General case' 0 C--N 1.394 2.537 0 CA-C-O 118.606 -0.712 . . . . 0.0 111.673 177.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -66.09 -37.61 86.21 Favored 'General case' 0 C--N 1.394 2.515 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.5 -42.87 82.15 Favored 'General case' 0 N--CA 1.519 2.992 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -70.73 -34.64 72.11 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 124.244 1.018 . . . . 0.0 112.29 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.58 -26.88 61.87 Favored 'General case' 0 C--N 1.379 1.89 0 C-N-CA 124.977 1.311 . . . . 0.0 112.404 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -47.31 69.08 Favored 'General case' 0 C--N 1.39 2.336 0 C-N-CA 125.147 1.379 . . . . 0.0 113.16 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -72.13 -38.78 69.17 Favored 'General case' 0 N--CA 1.509 2.523 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.9 -33.26 72.85 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 123.686 0.616 . . . . 0.0 110.464 174.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -34.65 72.2 Favored 'General case' 0 C--N 1.38 1.933 0 C-N-CA 124.951 1.301 . . . . 0.0 111.794 176.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.51 91.41 Favored 'General case' 0 C--N 1.41 3.205 0 C-N-CA 125.579 1.552 . . . . 0.0 112.408 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.8 mtt -64.53 -39.52 93.92 Favored 'General case' 0 C--N 1.388 2.259 0 O-C-N 124.826 1.329 . . . . 0.0 110.52 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -70.08 -38.62 75.75 Favored 'General case' 0 C--N 1.383 2.024 0 C-N-CA 124.412 1.085 . . . . 0.0 110.635 176.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.48 -38.72 92.21 Favored 'General case' 0 C--N 1.397 2.647 0 C-N-CA 125.062 1.345 . . . . 0.0 114.57 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.33 -40.01 77.84 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 124.09 0.956 . . . . 0.0 111.234 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -74.11 -28.47 61.37 Favored 'General case' 0 N--CA 1.503 2.221 0 C-N-CA 124.322 1.049 . . . . 0.0 112.854 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -69.01 -36.09 77.41 Favored 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 125.376 1.471 . . . . 0.0 111.62 176.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -66.27 -38.73 88.52 Favored 'General case' 0 C--N 1.388 2.259 0 C-N-CA 125.066 1.347 . . . . 0.0 110.377 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -68.63 -36.81 79.12 Favored 'General case' 0 C--N 1.388 2.263 0 C-N-CA 125.0 1.32 . . . . 0.0 111.736 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -70.13 -33.14 71.45 Favored 'General case' 0 C--N 1.392 2.445 0 C-N-CA 125.006 1.322 . . . . 0.0 111.97 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.4 -38.54 90.26 Favored 'General case' 0 CA--C 1.573 1.846 0 C-N-CA 125.001 1.32 . . . . 0.0 113.169 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -91.36 -38.72 12.44 Favored 'General case' 0 C--N 1.385 2.151 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -105.69 -29.85 9.83 Favored 'General case' 0 C--N 1.394 2.506 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -175.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 56.38 27.49 12.09 Favored 'General case' 0 N--CA 1.53 3.532 0 C-N-CA 127.386 2.274 . . . . 0.0 116.554 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.57 136.97 59.19 Favored Pre-proline 0 N--CA 1.502 2.166 0 N-CA-C 113.296 0.851 . . . . 0.0 113.296 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -57.29 -15.01 17.26 Favored 'Trans proline' 1 C--N 1.436 5.135 0 C-N-CA 124.775 3.65 . . . . 0.0 116.678 177.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 52.1 mt-30 -68.73 -37.63 79.6 Favored 'General case' 0 N--CA 1.528 3.436 0 C-N-CA 124.517 1.127 . . . . 0.0 113.187 -177.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -29.28 51.15 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 126.381 1.872 . . . . 0.0 110.359 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.09 -37.81 75.52 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 127.026 2.13 . . . . 0.0 111.267 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.28 -34.6 72.97 Favored 'General case' 0 C--N 1.379 1.882 0 O-C-N 124.158 0.911 . . . . 0.0 110.35 173.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 36.9 mt-10 -72.74 -41.94 64.61 Favored 'General case' 0 C--N 1.393 2.492 0 C-N-CA 125.145 1.378 . . . . 0.0 113.703 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.15 -38.81 78.56 Favored 'Isoleucine or valine' 0 C--N 1.401 2.82 0 C-N-CA 124.799 1.24 . . . . 0.0 112.277 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.0 m -66.93 -38.82 86.9 Favored 'General case' 0 CA--C 1.582 2.191 0 C-N-CA 125.783 1.633 . . . . 0.0 110.151 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.95 95.16 Favored 'General case' 0 N--CA 1.514 2.761 0 C-N-CA 124.737 1.215 . . . . 0.0 112.444 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.2 mt -73.65 -27.41 61.24 Favored 'General case' 0 C--N 1.378 1.833 0 C-N-CA 125.14 1.376 . . . . 0.0 111.736 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -36.62 83.33 Favored 'General case' 0 C--N 1.392 2.414 0 C-N-CA 125.82 1.648 . . . . 0.0 112.255 176.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -74.83 -36.16 62.41 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 125.383 1.473 . . . . 0.0 109.941 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -71.43 -33.96 69.88 Favored 'General case' 0 C--N 1.386 2.192 0 C-N-CA 125.322 1.449 . . . . 0.0 112.566 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -38.18 89.46 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 124.38 1.072 . . . . 0.0 110.064 174.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.2 p -77.14 -39.1 50.44 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.822 0.701 . . . . 0.0 112.569 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -71.49 -32.91 68.78 Favored 'General case' 0 N--CA 1.516 2.826 0 C-N-CA 124.117 0.967 . . . . 0.0 113.566 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 3.9 t -73.59 -37.86 65.31 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 123.744 0.817 . . . . 0.0 109.7 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -58.31 -38.21 76.62 Favored 'General case' 0 C--N 1.396 2.594 0 C-N-CA 125.902 1.681 . . . . 0.0 112.71 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 6.4 m -71.5 -40.83 69.93 Favored 'General case' 0 CA--C 1.581 2.153 0 C-N-CA 124.899 1.28 . . . . 0.0 111.092 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.63 -37.99 80.17 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 126.019 1.728 . . . . 0.0 113.07 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 30.7 mt -65.68 -42.7 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 126.387 1.875 . . . . 0.0 110.902 176.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.69 97.46 Favored 'General case' 0 C--N 1.39 2.329 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.55 -41.36 72.56 Favored 'General case' 0 N--CA 1.515 2.777 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.4 p -71.2 -37.13 72.11 Favored 'General case' 0 N--CA 1.51 2.529 0 C-N-CA 124.13 0.972 . . . . 0.0 113.362 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -73.48 -30.98 63.49 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 124.286 1.034 . . . . 0.0 112.891 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -69.07 -37.01 78.25 Favored 'General case' 0 N--CA 1.509 2.511 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.77 74.0 Favored 'General case' 0 C--N 1.377 1.762 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.829 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.1 mt -73.31 -32.35 64.54 Favored 'General case' 0 C--N 1.388 2.27 0 C-N-CA 126.017 1.727 . . . . 0.0 112.576 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -72.93 -27.64 61.97 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 125.168 1.387 . . . . 0.0 113.616 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.95 -15.81 43.12 Favored 'General case' 0 C--N 1.382 2.014 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.74 -10.36 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 C-N-CA 123.669 0.788 . . . . 0.0 112.213 -177.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.43 4.6 43.9 Favored 'General case' 0 CA--C 1.576 1.947 0 C-N-CA 124.958 1.303 . . . . 0.0 111.482 178.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 . . . . . 0 N--CA 1.527 3.416 0 C-N-CA 127.269 2.227 . . . . 0.0 112.844 -175.645 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mmt . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 119.386 -0.34 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -119.4 134.9 54.99 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 124.268 1.027 . . . . 0.0 111.606 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.09 123.16 30.39 Favored Pre-proline 0 CA--C 1.575 1.918 0 C-N-CA 123.862 0.865 . . . . 0.0 110.916 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -62.81 120.95 8.67 Favored 'Trans proline' 1 C--N 1.431 4.884 0 C-N-CA 123.356 2.704 . . . . 0.0 115.041 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.74 -50.9 3.72 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.479 0.712 . . . . 0.0 111.73 178.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.11 -38.15 52.77 Favored 'General case' 0 C--N 1.377 1.79 0 C-N-CA 124.595 1.158 . . . . 0.0 112.231 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -31.97 73.02 Favored 'General case' 0 C--N 1.381 1.957 0 O-C-N 124.491 1.12 . . . . 0.0 109.782 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -39.13 88.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 124.897 1.373 . . . . 0.0 111.78 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.8 m -79.19 -20.78 47.52 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 123.65 0.78 . . . . 0.0 112.749 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.65 -47.75 25.06 Favored 'General case' 0 CA--C 1.566 1.596 0 CA-C-N 114.293 -1.322 . . . . 0.0 110.191 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -36.31 74.95 Favored 'General case' 0 C--N 1.393 2.486 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.45 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 2.0 m -71.0 -36.32 72.42 Favored 'General case' 0 C--N 1.385 2.111 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.789 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -63.46 -29.54 70.81 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 123.735 0.647 . . . . 0.0 111.017 174.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.2 t -74.61 -45.66 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.384 0 C-N-CA 125.172 1.389 . . . . 0.0 110.935 177.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.67 -28.45 65.88 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 119.194 0.907 . . . . 0.0 111.618 175.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 12' ' ' THR . . . -67.01 -38.85 86.7 Favored 'General case' 0 N--CA 1.513 2.714 0 C-N-CA 126.26 1.824 . . . . 0.0 111.364 171.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -36.82 61.7 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 124.911 1.285 . . . . 0.0 110.739 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -63.21 -38.48 91.35 Favored 'General case' 0 N--CA 1.5 2.063 0 C-N-CA 127.078 2.151 . . . . 0.0 111.917 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -69.94 -29.7 66.91 Favored 'General case' 0 N--CA 1.511 2.589 0 C-N-CA 124.411 1.084 . . . . 0.0 111.804 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.77 -18.36 44.4 Favored 'General case' 0 CA--C 1.587 2.369 0 C-N-CA 124.952 1.301 . . . . 0.0 111.815 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 21' ' ' ILE . 62.6 mt -111.54 17.33 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.638 0 C-N-CA 128.209 2.604 . . . . 0.0 108.232 177.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.26 -87.5 0.07 OUTLIER Glycine 0 C--N 1.377 2.807 0 CA-C-O 116.339 -2.367 . . . . 0.0 112.914 -175.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.84 -2.15 3.32 Favored 'Trans proline' 1 C--N 1.423 4.463 0 CA-C-N 122.563 3.181 . . . . 0.0 114.744 174.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.4 -10.44 52.03 Favored 'General case' 0 CA--C 1.578 2.039 0 C-N-CA 127.348 2.259 . . . . 0.0 112.953 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.411 ' HB1' ' HG ' ' A' ' 46' ' ' LEU . . . -63.19 -45.14 93.14 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 126.913 2.085 . . . . 0.0 116.195 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.5 m -93.06 -32.72 14.37 Favored 'General case' 0 C--N 1.383 2.059 0 C-N-CA 124.087 0.955 . . . . 0.0 110.96 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -118.38 115.63 25.07 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-N 113.519 -1.673 . . . . 0.0 112.14 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -79.1 127.46 32.04 Favored 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -127.69 168.1 15.53 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 125.536 1.535 . . . . 0.0 110.041 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.77 90.33 1.41 Allowed 'General case' 0 CA--C 1.59 2.487 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -178.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.6 t -115.32 122.04 33.82 Favored Pre-proline 0 CA--C 1.584 2.28 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 176.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.03 -16.41 32.25 Favored 'Trans proline' 1 C--N 1.428 4.725 0 C-N-CA 123.215 2.61 . . . . 0.0 116.792 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -100.39 10.83 40.66 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 125.329 1.452 . . . . 0.0 113.649 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.59 106.91 0.85 Allowed 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 123.942 0.897 . . . . 0.0 111.955 -173.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.02 94.24 3.22 Favored 'General case' 0 C--N 1.373 1.6 0 CA-C-O 121.877 0.846 . . . . 0.0 111.21 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -85.8 -0.24 54.75 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 113.717 -1.583 . . . . 0.0 114.178 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -80.37 -21.74 42.08 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 123.59 0.756 . . . . 0.0 111.716 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mt -88.1 -3.42 58.89 Favored 'General case' 0 C--N 1.389 2.325 0 C-N-CA 124.331 1.052 . . . . 0.0 112.175 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -122.76 157.42 32.4 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 125.124 1.37 . . . . 0.0 112.376 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.06 112.68 18.06 Favored 'General case' 0 C--N 1.375 1.717 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -136.02 159.79 40.62 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.692 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -106.8 48.25 0.85 Allowed 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.31 -69.23 0.48 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 118.029 1.972 . . . . 0.0 118.029 170.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -175.35 65.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 118.72 1.26 . . . . 0.0 109.473 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -140.5 136.95 33.45 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.411 ' HG ' ' HB1' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -70.16 -25.91 63.67 Favored 'General case' 0 N--CA 1.526 3.365 0 O-C-N 124.017 0.823 . . . . 0.0 108.981 170.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.73 -36.74 93.73 Favored Glycine 0 C--N 1.379 2.969 0 C-N-CA 125.264 1.412 . . . . 0.0 114.719 176.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.52 -24.37 42.27 Favored 'General case' 0 C--N 1.392 2.437 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -177.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -81.25 -30.65 34.05 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.4 -38.4 55.71 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 125.404 1.482 . . . . 0.0 113.17 178.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -30.52 67.41 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 125.51 1.524 . . . . 0.0 111.527 177.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -81.18 -29.46 34.61 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 123.377 0.671 . . . . 0.0 109.75 178.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.24 -38.17 66.1 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.646 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -68.72 -37.39 79.43 Favored 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 124.497 1.119 . . . . 0.0 110.139 175.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -72.19 -24.38 61.41 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 126.496 1.919 . . . . 0.0 112.17 177.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.37 -30.6 42.63 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 124.034 0.934 . . . . 0.0 109.443 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.89 -40.92 65.19 Favored 'General case' 0 C--N 1.384 2.099 0 C-N-CA 124.628 1.171 . . . . 0.0 111.031 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.0 p -70.99 -30.33 66.55 Favored 'General case' 0 N--CA 1.505 2.295 0 C-N-CA 125.615 1.566 . . . . 0.0 113.215 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -77.75 -36.77 50.33 Favored 'General case' 0 N--CA 1.505 2.307 0 C-N-CA 123.462 0.705 . . . . 0.0 112.303 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -71.13 -30.83 66.98 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 124.825 1.25 . . . . 0.0 111.713 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.561 ' O ' HG22 ' A' ' 64' ' ' VAL . 1.9 mt-10 -67.78 -33.97 75.88 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 126.206 1.802 . . . . 0.0 111.824 176.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.67 93.76 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 123.53 0.732 . . . . 0.0 109.704 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.28 72.43 Favored 'General case' 0 C--N 1.394 2.523 0 N-CA-C 115.948 1.833 . . . . 0.0 115.948 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 61' ' ' GLU . 15.8 m -68.89 -31.18 49.56 Favored 'Isoleucine or valine' 0 C--N 1.391 2.402 0 CA-C-O 121.752 0.787 . . . . 0.0 111.534 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -74.54 -10.43 59.54 Favored 'General case' 0 CA--C 1.577 1.997 0 C-N-CA 126.826 2.05 . . . . 0.0 111.618 172.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -96.54 -11.12 25.88 Favored 'General case' 0 CA--C 1.575 1.913 0 C-N-CA 125.199 1.4 . . . . 0.0 111.609 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.82 52.48 3.12 Favored Glycine 0 C--N 1.381 3.051 0 N-CA-C 116.497 1.359 . . . . 0.0 116.497 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.14 91.76 3.63 Favored 'General case' 0 C--N 1.372 1.58 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 177.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.61 -20.67 61.24 Favored 'General case' 0 N--CA 1.506 2.354 0 CA-C-N 113.875 -1.511 . . . . 0.0 112.414 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.7 m -70.82 -35.64 72.58 Favored 'General case' 0 CA--C 1.571 1.766 0 C-N-CA 125.437 1.495 . . . . 0.0 109.899 175.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -76.48 -20.45 56.96 Favored 'General case' 0 C--N 1.393 2.499 0 C-N-CA 123.646 0.778 . . . . 0.0 111.774 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.2 t -74.69 -50.98 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 C-N-CA 126.662 1.985 . . . . 0.0 109.266 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.85 -36.06 77.68 Favored 'General case' 0 C--N 1.376 1.76 0 C-N-CA 126.677 1.991 . . . . 0.0 112.797 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -41.58 92.01 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.427 1.491 . . . . 0.0 110.419 173.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -73.99 -33.87 63.99 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 123.812 0.845 . . . . 0.0 110.991 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.99 90.28 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 124.282 1.033 . . . . 0.0 111.994 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.43 -37.81 74.46 Favored 'General case' 0 N--CA 1.516 2.859 0 C-N-CA 125.707 1.603 . . . . 0.0 111.169 176.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -70.86 -32.72 69.81 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 125.785 1.634 . . . . 0.0 111.059 174.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.7 -45.76 77.77 Favored 'General case' 0 CA--C 1.569 1.704 0 C-N-CA 123.98 0.912 . . . . 0.0 111.495 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.23 -40.17 78.08 Favored 'General case' 0 C--N 1.386 2.17 0 C-N-CA 125.091 1.357 . . . . 0.0 113.153 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.55 81.32 Favored 'General case' 0 C--N 1.388 2.274 0 C-N-CA 125.876 1.67 . . . . 0.0 112.153 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -73.34 -27.17 61.36 Favored 'General case' 0 C--N 1.375 1.708 0 CA-C-O 118.306 -0.854 . . . . 0.0 112.284 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 21.7 mt -62.76 -45.39 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 CA-C-N 118.658 0.663 . . . . 0.0 109.866 176.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.15 -45.1 82.2 Favored 'General case' 0 N--CA 1.505 2.323 0 C-N-CA 124.668 1.187 . . . . 0.0 112.353 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.02 -43.9 56.37 Favored 'General case' 0 C--N 1.38 1.928 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.712 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.7 OUTLIER -84.5 -44.78 13.29 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.021 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 16.9 mt-30 -68.36 -36.48 79.26 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-N 119.339 0.972 . . . . 0.0 112.715 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -78.64 -40.72 33.45 Favored 'General case' 0 CA--C 1.592 2.589 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -75.78 -30.79 59.23 Favored 'General case' 0 C--N 1.399 2.747 0 CA-C-O 121.19 0.519 . . . . 0.0 109.762 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.712 ' HB3' ' O ' ' A' ' 86' ' ' LEU . . . -77.74 -22.95 49.52 Favored 'General case' 0 C--N 1.383 2.048 0 C-N-CA 125.287 1.435 . . . . 0.0 110.806 174.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.11 85.13 Favored 'General case' 0 C--N 1.417 3.506 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -79.96 -27.43 39.75 Favored 'General case' 0 C--N 1.391 2.388 0 C-N-CA 124.347 1.059 . . . . 0.0 111.561 174.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.14 62.48 Favored 'General case' 0 C--N 1.377 1.792 0 C-N-CA 124.295 1.038 . . . . 0.0 112.696 173.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 76.0 p -60.04 -8.43 2.35 Favored 'General case' 1 N--CA 1.54 4.073 0 C-N-CA 125.824 1.65 . . . . 0.0 113.674 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.75 -58.13 2.58 Favored 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 126.487 1.915 . . . . 0.0 115.551 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -71.79 -6.3 40.46 Favored 'General case' 0 N--CA 1.517 2.877 0 CA-C-O 123.281 1.515 . . . . 0.0 109.333 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HA ' ' CB ' ' A' ' 101' ' ' ALA . 2.1 ttt180 -62.74 -37.12 85.34 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 129.389 3.076 . . . . 0.0 116.869 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -88.43 -4.49 58.63 Favored 'General case' 0 C--N 1.376 1.758 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -171.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -115.61 -40.96 3.3 Favored 'General case' 0 N--CA 1.51 2.53 0 N-CA-C 117.737 2.495 . . . . 0.0 117.737 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -120.29 -22.82 6.41 Favored 'General case' 0 N--CA 1.507 2.409 0 CA-C-N 119.481 1.037 . . . . 0.0 113.619 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.42 ' CB ' ' HA ' ' A' ' 97' ' ' ARG . . . -86.68 -23.16 25.7 Favored 'General case' 0 N--CA 1.513 2.694 0 C-N-CA 124.926 1.29 . . . . 0.0 114.425 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -67.68 -55.19 14.18 Favored 'General case' 0 CA--C 1.575 1.941 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.0 mt -69.0 -36.62 7.84 Favored Pre-proline 0 N--CA 1.51 2.557 0 N-CA-C 120.998 3.703 . . . . 0.0 120.998 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.87 -23.12 57.57 Favored 'Trans proline' 1 C--N 1.444 5.554 0 CA-C-N 125.119 2.864 . . . . 0.0 118.184 -175.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -135.99 -25.28 0.49 Allowed Glycine 0 C--N 1.359 1.816 0 CA-C-O 118.184 -1.342 . . . . 0.0 114.26 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.42 -67.37 0.28 Allowed Glycine 0 C--N 1.382 3.121 0 CA-C-N 118.582 1.191 . . . . 0.0 110.583 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -136.26 60.38 1.67 Allowed 'General case' 0 CA--C 1.557 1.218 0 CA-C-N 113.119 -1.541 . . . . 0.0 107.893 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.23 -41.67 99.14 Favored 'General case' 0 N--CA 1.515 2.823 0 C-N-CA 123.735 0.814 . . . . 0.0 112.939 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -36.88 79.38 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.383 1.873 . . . . 0.0 112.116 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -70.24 -29.16 65.9 Favored 'General case' 0 C--N 1.379 1.877 0 O-C-N 124.356 1.035 . . . . 0.0 111.023 173.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 3.4 mpt_? -76.17 -45.26 34.24 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 123.648 0.779 . . . . 0.0 110.357 174.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -61.75 2.03 Favored 'General case' 0 CA--C 1.591 2.554 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.0 -45.8 32.74 Favored 'General case' 0 C--N 1.386 2.194 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 39.5 mt-10 -72.53 -33.89 67.19 Favored 'General case' 0 N--CA 1.509 2.488 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -178.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.57 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 5.3 m-85 -67.54 -38.45 84.21 Favored 'General case' 0 C--N 1.39 2.358 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.708 177.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -66.94 -39.47 87.33 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 177.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.58 -42.19 71.36 Favored 'General case' 0 N--CA 1.519 2.988 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -70.45 -36.71 74.1 Favored 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 124.33 1.052 . . . . 0.0 112.536 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 42.2 mt-10 -74.8 -23.32 58.48 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 124.247 1.019 . . . . 0.0 112.101 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -65.44 -49.97 67.13 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 125.513 1.525 . . . . 0.0 113.284 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -72.65 -39.0 67.52 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.01 -33.51 73.37 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 123.544 0.527 . . . . 0.0 110.437 174.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -70.3 -34.8 73.17 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 125.039 1.336 . . . . 0.0 112.117 175.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.26 88.6 Favored 'General case' 0 C--N 1.408 3.134 0 C-N-CA 125.627 1.571 . . . . 0.0 112.52 -178.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.4 mtt -64.18 -39.43 93.98 Favored 'General case' 0 C--N 1.388 2.262 0 O-C-N 124.787 1.304 . . . . 0.0 110.523 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -69.41 -38.15 77.79 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 125.165 1.386 . . . . 0.0 110.668 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -65.7 -37.42 86.41 Favored 'General case' 0 C--N 1.399 2.753 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.98 -39.58 83.27 Favored 'General case' 0 N--CA 1.509 2.494 0 C-N-CA 124.434 1.094 . . . . 0.0 111.169 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -74.46 -25.8 59.64 Favored 'General case' 0 C--N 1.385 2.114 0 C-N-CA 124.597 1.159 . . . . 0.0 112.404 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -68.55 -36.12 78.36 Favored 'General case' 0 N--CA 1.514 2.733 0 C-N-CA 125.488 1.515 . . . . 0.0 111.252 175.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -66.81 -38.35 86.32 Favored 'General case' 0 C--N 1.389 2.307 0 C-N-CA 125.131 1.372 . . . . 0.0 110.399 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.93 -34.95 74.14 Favored 'General case' 0 C--N 1.389 2.295 0 C-N-CA 124.973 1.309 . . . . 0.0 111.524 176.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -68.32 -36.93 80.04 Favored 'General case' 0 C--N 1.393 2.461 0 C-N-CA 124.993 1.317 . . . . 0.0 111.457 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.67 -37.96 89.37 Favored 'General case' 0 CA--C 1.571 1.757 0 C-N-CA 125.331 1.452 . . . . 0.0 113.469 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -90.74 -38.84 12.77 Favored 'General case' 0 C--N 1.387 2.2 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -108.47 -30.22 8.39 Favored 'General case' 0 C--N 1.396 2.603 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -174.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 56.11 26.03 9.69 Favored 'General case' 0 N--CA 1.532 3.653 0 C-N-CA 127.452 2.301 . . . . 0.0 116.686 -178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.44 138.93 59.21 Favored Pre-proline 0 N--CA 1.503 2.175 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -56.97 -14.89 15.45 Favored 'Trans proline' 1 C--N 1.437 5.198 0 C-N-CA 124.753 3.635 . . . . 0.0 116.62 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -69.13 -37.75 78.46 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 124.547 1.139 . . . . 0.0 113.265 -177.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.458 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -78.23 -29.2 48.12 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 126.526 1.931 . . . . 0.0 110.01 -179.56 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.73 -36.91 76.26 Favored 'General case' 0 C--N 1.378 1.813 0 C-N-CA 126.683 1.993 . . . . 0.0 110.135 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.73 -33.69 71.1 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 124.253 1.021 . . . . 0.0 110.73 173.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -71.69 -42.51 67.34 Favored 'General case' 0 N--CA 1.511 2.602 0 C-N-CA 125.185 1.394 . . . . 0.0 114.181 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.3 mt -67.22 -42.99 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.193 0 C-N-CA 125.322 1.449 . . . . 0.0 109.136 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.7 m -62.87 -41.87 99.54 Favored 'General case' 0 CA--C 1.588 2.442 0 C-N-CA 126.025 1.73 . . . . 0.0 111.586 177.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.15 96.51 Favored 'General case' 0 N--CA 1.514 2.747 0 C-N-CA 124.526 1.13 . . . . 0.0 112.496 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.09 -28.26 62.19 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 125.062 1.345 . . . . 0.0 111.834 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -36.56 84.42 Favored 'General case' 0 C--N 1.392 2.442 0 C-N-CA 126.346 1.858 . . . . 0.0 112.238 177.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -75.14 -35.19 61.68 Favored 'General case' 0 C--N 1.388 2.262 0 C-N-CA 125.321 1.448 . . . . 0.0 110.104 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -70.2 -35.76 74.15 Favored 'General case' 0 C--N 1.387 2.215 0 C-N-CA 125.12 1.368 . . . . 0.0 112.834 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -37.9 89.18 Favored 'General case' 0 C--N 1.379 1.885 0 C-N-CA 124.626 1.17 . . . . 0.0 110.271 174.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.1 p -77.11 -37.92 53.23 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 123.818 0.699 . . . . 0.0 112.416 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -69.95 -36.2 75.09 Favored 'General case' 0 N--CA 1.514 2.737 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 178.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 83.0 m -71.09 -39.42 72.14 Favored 'General case' 0 C--N 1.382 1.998 0 C-N-CA 123.756 0.822 . . . . 0.0 111.037 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -59.71 -38.83 82.72 Favored 'General case' 0 C--N 1.392 2.438 0 C-N-CA 125.624 1.57 . . . . 0.0 112.938 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.2 m -69.32 -42.72 75.01 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 125.264 1.426 . . . . 0.0 111.192 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.16 -38.75 86.0 Favored 'General case' 0 C--N 1.381 1.947 0 C-N-CA 126.179 1.792 . . . . 0.0 113.016 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 29.7 mt -69.52 -40.93 80.27 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.065 0 C-N-CA 126.16 1.784 . . . . 0.0 110.601 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.22 95.97 Favored 'General case' 0 C--N 1.39 2.357 0 C-N-CA 124.559 1.144 . . . . 0.0 113.671 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.56 -39.58 80.98 Favored 'General case' 0 N--CA 1.512 2.665 0 C-N-CA 124.954 1.302 . . . . 0.0 112.944 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.8 p -71.45 -32.39 68.26 Favored 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 124.526 1.13 . . . . 0.0 112.696 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -71.57 -35.08 70.46 Favored 'General case' 0 C--N 1.381 1.936 0 C-N-CA 124.838 1.255 . . . . 0.0 112.425 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.13 -37.86 81.55 Favored 'General case' 0 N--CA 1.51 2.55 0 C-N-CA 124.932 1.293 . . . . 0.0 113.257 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.514 ' O ' HG13 ' A' ' 169' ' ' ILE . . . -69.61 -36.06 75.85 Favored 'General case' 0 C--N 1.375 1.677 0 C-N-CA 124.198 0.999 . . . . 0.0 110.279 177.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.6 mt -71.53 -28.74 64.09 Favored 'General case' 0 C--N 1.394 2.506 0 C-N-CA 125.512 1.525 . . . . 0.0 112.197 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -70.43 -30.46 67.32 Favored 'General case' 0 C--N 1.38 1.909 0 C-N-CA 125.547 1.539 . . . . 0.0 112.519 176.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -21.13 25.63 Favored 'General case' 0 C--N 1.385 2.112 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -177.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 165' ' ' ALA . 0.3 OUTLIER -111.06 17.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.38 1.894 0 CA-C-O 121.368 0.604 . . . . 0.0 109.47 -176.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 61.7 m -54.03 -41.01 67.56 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-N 113.285 -1.779 . . . . 0.0 108.264 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 . . . . . 0 N--CA 1.496 1.87 0 CA-C-N 113.541 -1.663 . . . . 0.0 111.439 177.798 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.134 0.493 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -115.51 128.25 55.86 Favored 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 124.14 0.976 . . . . 0.0 111.156 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.06 119.14 31.12 Favored Pre-proline 0 CA--C 1.574 1.866 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.146 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -62.08 119.2 6.2 Favored 'Trans proline' 1 C--N 1.432 4.952 0 C-N-CA 123.431 2.754 . . . . 0.0 114.932 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mt -99.66 -47.51 5.06 Favored 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 123.5 0.72 . . . . 0.0 111.873 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.25 -36.45 54.49 Favored 'General case' 0 C--N 1.376 1.745 0 C-N-CA 125.083 1.353 . . . . 0.0 112.687 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -33.29 72.17 Favored 'General case' 0 C--N 1.38 1.913 0 O-C-N 124.317 1.01 . . . . 0.0 110.467 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -68.01 -36.21 79.59 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 124.638 1.211 . . . . 0.0 111.387 177.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.3 m -71.59 -40.99 69.52 Favored 'General case' 0 C--N 1.381 1.94 0 C-N-CA 123.97 0.908 . . . . 0.0 110.871 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.58 -44.29 89.75 Favored 'General case' 0 C--N 1.389 2.311 0 O-C-N 124.311 1.007 . . . . 0.0 112.395 173.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -65.38 -39.92 92.87 Favored 'General case' 0 C--N 1.399 2.744 0 C-N-CA 125.223 1.409 . . . . 0.0 114.67 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -69.68 -36.22 75.8 Favored 'General case' 0 C--N 1.379 1.863 0 CA-C-O 117.861 -1.066 . . . . 0.0 109.989 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -62.6 -29.97 71.0 Favored 'General case' 0 N--CA 1.506 2.363 0 C-N-CA 124.121 0.968 . . . . 0.0 111.857 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -74.77 -45.79 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.558 0 C-N-CA 125.165 1.386 . . . . 0.0 110.379 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.29 -27.0 64.06 Favored 'General case' 0 N--CA 1.503 2.208 0 C-N-CA 123.711 0.804 . . . . 0.0 111.249 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.04 88.92 Favored 'General case' 0 N--CA 1.507 2.389 0 C-N-CA 125.378 1.471 . . . . 0.0 109.52 171.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.3 mt -73.87 -30.02 62.42 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 125.052 1.341 . . . . 0.0 110.974 175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -60.47 -39.52 87.88 Favored 'General case' 0 N--CA 1.536 3.831 0 C-N-CA 126.339 1.856 . . . . 0.0 113.414 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.6 p -78.78 -31.77 46.22 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 124.847 1.342 . . . . 0.0 113.112 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -83.2 -24.06 32.58 Favored 'General case' 0 CA--C 1.581 2.159 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' ' 21' ' ' ILE . 70.2 mt -110.77 19.27 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 C-N-CA 128.388 2.675 . . . . 0.0 109.161 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.01 -81.14 0.29 Allowed Glycine 0 N--CA 1.491 2.318 0 CA-C-O 116.558 -2.246 . . . . 0.0 112.53 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -65.66 -2.0 5.72 Favored 'Trans proline' 1 C--N 1.426 4.633 0 CA-C-N 122.586 3.193 . . . . 0.0 116.131 177.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mp -90.68 -6.28 54.7 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 126.002 1.721 . . . . 0.0 112.988 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.07 -41.24 90.99 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 126.373 1.869 . . . . 0.0 115.742 177.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -97.55 -37.84 9.8 Favored 'General case' 0 C--N 1.385 2.135 0 C-N-CA 124.036 0.934 . . . . 0.0 110.973 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -104.72 136.31 44.48 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 125.894 1.678 . . . . 0.0 112.755 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -94.13 117.2 29.76 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 121.687 0.756 . . . . 0.0 112.723 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -128.6 162.14 27.99 Favored 'General case' 0 N--CA 1.503 2.199 0 C-N-CA 125.452 1.501 . . . . 0.0 110.735 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.17 91.07 1.62 Allowed 'General case' 0 CA--C 1.588 2.423 0 C-N-CA 124.701 1.2 . . . . 0.0 113.53 -178.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.52 117.4 42.78 Favored Pre-proline 0 C--N 1.379 1.873 0 CA-C-O 118.829 -0.605 . . . . 0.0 110.863 176.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -62.2 -26.04 77.38 Favored 'Trans proline' 1 C--N 1.431 4.917 0 C-N-CA 123.867 3.045 . . . . 0.0 115.92 178.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -108.38 25.88 11.13 Favored 'General case' 0 CA--C 1.583 2.238 0 C-N-CA 124.48 1.112 . . . . 0.0 112.79 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.55 106.32 3.42 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 123.403 0.681 . . . . 0.0 109.336 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.35 94.22 4.01 Favored 'General case' 0 C--N 1.373 1.6 0 CA-C-O 121.811 0.815 . . . . 0.0 110.158 178.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -83.28 -2.77 56.45 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 113.922 -1.49 . . . . 0.0 114.373 -178.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -79.89 -18.23 51.18 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 123.731 0.812 . . . . 0.0 112.356 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -84.78 -3.92 58.83 Favored 'General case' 0 C--N 1.388 2.248 0 C-N-CA 123.998 0.919 . . . . 0.0 112.992 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.16 158.7 27.41 Favored 'General case' 0 C--N 1.377 1.782 0 C-N-CA 124.455 1.102 . . . . 0.0 111.521 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.87 108.94 14.53 Favored 'General case' 0 C--N 1.383 2.031 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.6 t -155.91 165.03 37.71 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.051 -1.886 . . . . 0.0 108.795 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -109.64 -27.9 9.13 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.738 0.815 . . . . 0.0 112.071 -178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.74 75.98 0.58 Allowed Glycine 0 C--N 1.377 2.815 0 N-CA-C 106.865 -2.494 . . . . 0.0 106.865 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.83 -62.64 1.17 Allowed 'General case' 0 C--N 1.379 1.876 0 O-C-N 124.502 0.766 . . . . 0.0 111.506 -171.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 176.94 178.68 0.24 Allowed 'General case' 0 C--N 1.41 3.219 0 O-C-N 126.002 2.064 . . . . 0.0 112.954 -173.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.98 -23.48 65.03 Favored 'General case' 0 N--CA 1.529 3.508 0 C-N-CA 125.5 1.52 . . . . 0.0 108.265 169.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.35 -36.25 88.27 Favored Glycine 0 C--N 1.381 3.031 0 C-N-CA 125.427 1.489 . . . . 0.0 113.887 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.99 -21.38 43.7 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 117.107 0.454 . . . . 0.0 111.574 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -81.14 -32.86 33.53 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.3 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -77.52 -36.37 52.52 Favored 'General case' 0 C--N 1.372 1.566 0 C-N-CA 124.938 1.295 . . . . 0.0 112.469 176.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.99 -37.63 75.79 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.956 1.302 . . . . 0.0 112.003 178.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.61 -29.97 56.74 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 123.692 0.797 . . . . 0.0 111.039 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.57 -39.59 67.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 124.893 1.371 . . . . 0.0 111.851 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.6 -36.35 76.12 Favored 'General case' 0 N--CA 1.505 2.319 0 C-N-CA 124.769 1.228 . . . . 0.0 111.414 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -72.61 -25.52 61.34 Favored 'General case' 0 C--N 1.385 2.129 0 C-N-CA 126.593 1.957 . . . . 0.0 112.354 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.7 m -78.78 -30.01 45.34 Favored 'General case' 0 C--N 1.386 2.167 0 C-N-CA 123.598 0.759 . . . . 0.0 109.441 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.7 tp -70.84 -41.86 70.92 Favored 'General case' 0 C--N 1.388 2.255 0 C-N-CA 125.835 1.654 . . . . 0.0 110.252 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.4 p -71.73 -30.48 65.67 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 125.166 1.386 . . . . 0.0 112.9 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -78.22 -39.72 39.59 Favored 'General case' 0 N--CA 1.518 2.927 0 C-N-CA 124.18 0.992 . . . . 0.0 113.524 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -66.49 -33.12 74.98 Favored 'General case' 0 C--N 1.39 2.349 0 C-N-CA 124.356 1.062 . . . . 0.0 110.208 176.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.408 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 8.7 mt-10 -63.62 -33.62 76.03 Favored 'General case' 0 C--N 1.387 2.237 0 C-N-CA 126.555 1.942 . . . . 0.0 112.145 175.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.69 95.0 Favored 'General case' 0 C--N 1.394 2.524 0 C-N-CA 124.146 0.979 . . . . 0.0 112.86 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.45 -29.94 67.74 Favored 'General case' 0 N--CA 1.51 2.541 0 C-N-CA 123.542 0.737 . . . . 0.0 112.234 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.42 HG13 ' OE2' ' A' ' 130' ' ' GLU . 55.4 t -62.82 -37.8 80.1 Favored 'Isoleucine or valine' 0 C--N 1.381 1.959 0 C-N-CA 126.499 1.92 . . . . 0.0 109.775 175.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -55.02 -33.12 62.37 Favored 'General case' 0 C--N 1.396 2.607 0 C-N-CA 125.083 1.353 . . . . 0.0 112.312 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -69.68 -38.27 76.97 Favored 'General case' 0 C--N 1.402 2.876 0 C-N-CA 125.477 1.511 . . . . 0.0 112.076 176.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.89 33.44 2.4 Favored Glycine 0 C--N 1.376 2.759 0 N-CA-C 116.562 1.385 . . . . 0.0 116.562 174.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.68 113.0 24.42 Favored 'General case' 0 C--N 1.38 1.895 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.72 -27.73 64.2 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 113.137 -1.847 . . . . 0.0 113.043 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.5 m -72.17 -38.05 69.2 Favored 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 124.731 1.212 . . . . 0.0 110.85 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.5 -23.44 56.75 Favored 'General case' 0 C--N 1.389 2.323 0 C-N-CA 124.168 0.987 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.9 t -76.29 -47.06 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 125.956 1.702 . . . . 0.0 109.884 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.53 -37.75 85.67 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 127.239 2.216 . . . . 0.0 112.767 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.87 -48.91 74.8 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 126.414 1.886 . . . . 0.0 109.047 173.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 4.8 tt -61.05 -43.66 98.56 Favored 'General case' 0 N--CA 1.511 2.576 0 O-C-N 125.036 1.46 . . . . 0.0 112.019 174.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.63 -42.08 91.93 Favored 'General case' 0 N--CA 1.511 2.609 0 C-N-CA 124.884 1.274 . . . . 0.0 113.775 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.6 -39.12 73.98 Favored 'General case' 0 N--CA 1.514 2.734 0 C-N-CA 125.266 1.427 . . . . 0.0 111.967 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.03 -33.8 68.3 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 124.706 1.203 . . . . 0.0 110.698 174.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.559 ' O ' HG21 ' A' ' 83' ' ' ILE . 0.5 OUTLIER -66.11 -46.36 77.89 Favored 'General case' 0 C--N 1.38 1.926 0 CA-C-O 117.713 -1.137 . . . . 0.0 111.855 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.46 -36.49 76.63 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 124.503 1.121 . . . . 0.0 112.757 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.66 81.2 Favored 'General case' 0 C--N 1.385 2.138 0 C-N-CA 125.678 1.591 . . . . 0.0 110.638 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -73.97 -27.77 61.15 Favored 'General case' 0 C--N 1.376 1.748 0 C-N-CA 123.931 0.893 . . . . 0.0 112.594 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.559 HG21 ' O ' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -64.66 -43.59 96.64 Favored 'Isoleucine or valine' 0 C--N 1.389 2.287 0 CA-C-N 118.334 0.516 . . . . 0.0 110.649 177.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.84 -44.78 76.38 Favored 'General case' 0 N--CA 1.503 2.202 0 C-N-CA 125.532 1.533 . . . . 0.0 112.101 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.79 -44.73 55.08 Favored 'General case' 0 C--N 1.379 1.852 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.49 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 9.3 mp -86.79 -42.61 13.16 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -175.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.553 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -68.27 -38.47 81.76 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 118.781 -0.628 . . . . 0.0 112.006 178.736 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -78.76 -40.25 33.8 Favored 'General case' 0 C--N 1.386 2.154 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -72.48 -33.04 66.71 Favored 'General case' 0 N--CA 1.515 2.822 0 CA-C-N 119.4 1.0 . . . . 0.0 110.319 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 86' ' ' LEU . . . -73.59 -31.16 63.43 Favored 'General case' 0 C--N 1.385 2.144 0 C-N-CA 124.054 0.941 . . . . 0.0 109.973 175.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -68.05 -34.75 77.05 Favored 'General case' 0 C--N 1.411 3.274 0 C-N-CA 124.735 1.214 . . . . 0.0 114.112 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.6 p -84.15 -21.28 31.41 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 119.071 0.851 . . . . 0.0 110.287 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.17 -28.81 60.22 Favored 'General case' 0 C--N 1.39 2.363 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.989 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.07 -8.64 58.49 Favored 'General case' 0 C--N 1.398 2.689 0 C-N-CA 125.575 1.55 . . . . 0.0 112.012 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.3 mt -90.01 -9.0 50.25 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -97.89 -15.31 20.24 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 172.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -116.63 41.99 2.55 Favored 'General case' 0 C--N 1.39 2.348 0 C-N-CA 127.883 2.473 . . . . 0.0 112.694 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.74 13.39 10.76 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 104.517 -2.401 . . . . 0.0 104.517 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.469 ' HB3' ' H ' ' A' ' 100' ' ' ASN . 4.5 mt-10 -108.96 -145.19 0.39 Allowed 'General case' 0 CA--C 1.574 1.893 0 CA-C-N 110.361 -3.108 . . . . 0.0 112.083 178.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.469 ' H ' ' HB3' ' A' ' 99' ' ' GLU . 45.1 m-80 -96.41 7.2 47.08 Favored 'General case' 0 N--CA 1.51 2.573 0 CA-C-O 122.849 1.309 . . . . 0.0 109.989 178.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.17 -15.28 58.98 Favored 'General case' 0 CA--C 1.575 1.935 0 C-N-CA 128.604 2.762 . . . . 0.0 110.331 173.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -63.49 -31.09 72.14 Favored 'General case' 0 CA--C 1.592 2.573 0 C-N-CA 127.484 2.314 . . . . 0.0 114.955 -173.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.86 -52.22 42.93 Favored Pre-proline 0 N--CA 1.514 2.739 0 CA-C-O 116.416 -1.754 . . . . 0.0 112.947 178.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -83.33 3.93 7.41 Favored 'Trans proline' 1 C--N 1.45 5.919 0 CA-C-N 123.705 2.359 . . . . 0.0 115.284 173.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -156.64 92.79 0.13 Allowed Glycine 0 C--N 1.357 1.74 0 N-CA-C 108.889 -1.685 . . . . 0.0 108.889 174.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -171.22 -41.28 0.03 OUTLIER Glycine 0 N--CA 1.473 1.147 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -29.35 62.35 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 124.892 1.277 . . . . 0.0 110.188 175.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.88 -36.01 72.58 Favored 'General case' 0 C--N 1.384 2.078 0 C-N-CA 125.657 1.583 . . . . 0.0 111.806 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -70.15 -33.25 71.55 Favored 'General case' 0 C--N 1.387 2.212 0 C-N-CA 124.605 1.162 . . . . 0.0 111.231 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.64 -36.91 83.69 Favored 'General case' 0 C--N 1.386 2.163 0 C-N-CA 125.862 1.665 . . . . 0.0 110.66 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 1.1 mpt_? -74.58 -50.22 18.78 Favored 'General case' 0 C--N 1.375 1.698 0 C-N-CA 123.929 0.892 . . . . 0.0 111.013 175.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.15 -60.22 3.92 Favored 'General case' 0 CA--C 1.601 2.908 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -83.52 -44.19 14.94 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 40.5 mt-10 -71.91 -33.84 68.63 Favored 'General case' 0 N--CA 1.508 2.468 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 -178.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.59 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 5.6 m-85 -68.8 -38.85 80.22 Favored 'General case' 0 C--N 1.392 2.441 0 CA-C-O 118.714 -0.66 . . . . 0.0 111.717 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -65.71 -38.97 90.68 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.87 -42.73 85.11 Favored 'General case' 0 N--CA 1.52 3.069 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -69.23 -37.32 77.95 Favored 'General case' 0 N--CA 1.508 2.441 0 C-N-CA 124.294 1.038 . . . . 0.0 112.649 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -71.33 -28.44 64.09 Favored 'General case' 0 C--N 1.379 1.861 0 C-N-CA 124.824 1.25 . . . . 0.0 112.206 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -65.47 -47.75 75.02 Favored 'General case' 0 N--CA 1.504 2.253 0 C-N-CA 125.777 1.631 . . . . 0.0 114.285 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.72 -39.23 67.09 Favored 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.42 -33.06 73.07 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 123.556 0.535 . . . . 0.0 110.404 174.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -34.11 73.18 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 125.016 1.326 . . . . 0.0 112.341 175.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.95 86.1 Favored 'General case' 0 C--N 1.404 2.975 0 C-N-CA 125.473 1.509 . . . . 0.0 112.816 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.6 mtt -64.65 -40.21 95.03 Favored 'General case' 0 C--N 1.391 2.377 0 O-C-N 124.685 1.24 . . . . 0.0 110.642 177.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 94.8 mttt -67.26 -40.68 86.23 Favored 'General case' 0 C--N 1.384 2.103 0 C-N-CA 124.814 1.245 . . . . 0.0 110.797 176.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.23 -44.09 92.94 Favored 'General case' 0 N--CA 1.517 2.905 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 -176.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -70.82 -41.09 72.0 Favored 'General case' 0 N--CA 1.51 2.537 0 C-N-CA 123.887 0.875 . . . . 0.0 113.072 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.62 -34.4 74.02 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 124.46 1.104 . . . . 0.0 112.979 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 47.3 mt-10 -70.27 -39.6 74.83 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -71.18 -40.69 71.07 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-N 119.124 0.875 . . . . 0.0 112.758 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.25 -41.7 63.39 Favored 'General case' 0 C--N 1.391 2.39 0 CA-C-N 113.465 -1.698 . . . . 0.0 114.932 -173.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -90.54 -8.21 50.88 Favored 'General case' 0 CA--C 1.578 2.033 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.84 91.29 Favored 'General case' 0 N--CA 1.516 2.862 0 C-N-CA 125.588 1.555 . . . . 0.0 111.944 174.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -81.83 -13.18 58.0 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 125.44 1.496 . . . . 0.0 112.678 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -94.97 -24.88 16.75 Favored 'General case' 0 C--N 1.383 2.064 0 C-N-CA 125.152 1.381 . . . . 0.0 109.328 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 65.13 30.93 11.29 Favored 'General case' 0 N--CA 1.521 3.125 0 C-N-CA 127.565 2.346 . . . . 0.0 112.317 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.79 125.78 83.56 Favored Pre-proline 0 CA--C 1.571 1.753 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -177.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -58.27 -9.71 7.08 Favored 'Trans proline' 1 C--N 1.429 4.792 0 C-N-CA 124.686 3.591 . . . . 0.0 114.228 173.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -61.51 -27.69 68.78 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 123.68 0.792 . . . . 0.0 110.959 175.51 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 21.6 mt -56.33 -44.56 80.12 Favored 'General case' 0 N--CA 1.516 2.856 0 C-N-CA 126.438 1.895 . . . . 0.0 113.104 174.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.05 72.3 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.671 1.588 . . . . 0.0 110.808 -174.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -72.03 -37.54 69.71 Favored 'General case' 0 CA--C 1.583 2.24 0 O-C-N 124.161 0.913 . . . . 0.0 111.864 174.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 39.7 mt-10 -77.36 -51.15 11.31 Favored 'General case' 0 N--CA 1.512 2.663 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 -177.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -38.16 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.795 0 CA-C-N 119.561 1.073 . . . . 0.0 111.288 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 97.1 m -63.08 -40.46 97.74 Favored 'General case' 0 CA--C 1.584 2.283 0 CA-C-N 118.516 0.598 . . . . 0.0 110.598 177.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.81 85.58 Favored 'General case' 0 N--CA 1.509 2.475 0 C-N-CA 124.266 1.026 . . . . 0.0 112.856 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 13.1 mt -73.46 -31.32 63.72 Favored 'General case' 0 C--N 1.38 1.921 0 C-N-CA 124.708 1.203 . . . . 0.0 111.934 177.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -29.85 68.13 Favored 'General case' 0 C--N 1.392 2.428 0 C-N-CA 125.594 1.558 . . . . 0.0 112.232 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -75.47 -35.48 60.86 Favored 'General case' 0 C--N 1.387 2.225 0 C-N-CA 124.975 1.31 . . . . 0.0 109.16 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -71.37 -35.58 71.14 Favored 'General case' 0 C--N 1.387 2.199 0 C-N-CA 125.676 1.59 . . . . 0.0 112.465 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.45 -38.91 92.66 Favored 'General case' 0 C--N 1.381 1.937 0 C-N-CA 124.476 1.111 . . . . 0.0 110.106 174.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.7 p -77.01 -38.7 52.47 Favored 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 123.662 0.785 . . . . 0.0 112.845 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -72.66 -33.36 66.52 Favored 'General case' 0 N--CA 1.517 2.898 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 76.2 m -71.65 -39.1 70.57 Favored 'General case' 0 C--N 1.385 2.142 0 C-N-CA 123.503 0.721 . . . . 0.0 110.502 177.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -59.17 -39.39 82.37 Favored 'General case' 0 C--N 1.394 2.528 0 C-N-CA 125.618 1.567 . . . . 0.0 113.268 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 6.8 m -70.36 -40.85 73.78 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 124.96 1.304 . . . . 0.0 111.52 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.67 -37.64 76.74 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 125.778 1.631 . . . . 0.0 112.805 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 16.2 mt -70.04 -39.95 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.839 0 C-N-CA 126.094 1.758 . . . . 0.0 110.971 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.95 97.75 Favored 'General case' 0 C--N 1.391 2.394 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.09 -41.65 67.07 Favored 'General case' 0 N--CA 1.51 2.541 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.8 p -71.66 -39.48 70.3 Favored 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.03 -35.39 69.37 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.989 0.915 . . . . 0.0 113.195 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -70.05 -35.41 74.25 Favored 'General case' 0 N--CA 1.507 2.396 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -71.26 -36.02 71.61 Favored 'General case' 0 C--N 1.375 1.695 0 O-C-N 124.289 0.993 . . . . 0.0 110.891 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.76 -35.41 67.45 Favored 'General case' 0 C--N 1.39 2.36 0 C-N-CA 125.816 1.646 . . . . 0.0 112.229 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.31 -19.13 60.58 Favored 'General case' 0 C--N 1.379 1.878 0 C-N-CA 124.88 1.272 . . . . 0.0 113.424 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.81 -13.22 51.76 Favored 'General case' 0 C--N 1.379 1.873 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.86 16.8 7.7 Favored 'Isoleucine or valine' 0 C--N 1.368 1.403 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 1.3 t -50.52 -31.53 15.78 Favored 'General case' 0 C--N 1.389 2.295 0 C-N-CA 127.075 2.15 . . . . 0.0 112.682 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 . . . . . 0 N--CA 1.498 1.951 0 CA-C-N 113.188 -1.824 . . . . 0.0 111.795 179.202 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mtt . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.015 0.436 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -115.4 -54.24 2.55 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.475 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.84 127.69 17.43 Favored Pre-proline 0 C--N 1.378 1.839 0 C-N-CA 123.326 0.651 . . . . 0.0 111.751 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -70.92 -15.97 32.69 Favored 'Trans proline' 1 C--N 1.424 4.536 0 C-N-CA 123.214 2.609 . . . . 0.0 117.443 178.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mt -86.64 -35.33 19.43 Favored 'General case' 0 N--CA 1.506 2.326 0 C-N-CA 123.408 0.683 . . . . 0.0 111.868 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -36.14 51.95 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 125.147 1.379 . . . . 0.0 112.729 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.35 -31.35 67.25 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 123.923 0.889 . . . . 0.0 109.966 178.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -66.22 -37.57 85.86 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 124.434 1.084 . . . . 0.0 111.722 176.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.3 m -70.92 -41.1 71.66 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 124.212 1.005 . . . . 0.0 110.917 176.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.58 -44.94 85.72 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 124.455 1.102 . . . . 0.0 112.242 173.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -65.37 -38.51 90.26 Favored 'General case' 0 C--N 1.397 2.669 0 C-N-CA 125.363 1.465 . . . . 0.0 114.667 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -68.74 -37.06 79.15 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.247 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.73 -31.72 71.91 Favored 'General case' 0 N--CA 1.504 2.257 0 C-N-CA 124.7 1.2 . . . . 0.0 111.804 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -74.43 -43.82 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.449 0 C-N-CA 125.116 1.366 . . . . 0.0 110.122 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -28.89 66.76 Favored 'General case' 0 N--CA 1.507 2.381 0 C-N-CA 124.023 0.929 . . . . 0.0 111.052 174.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.74 88.3 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 125.478 1.511 . . . . 0.0 109.423 172.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.64 -36.86 73.64 Favored 'General case' 0 C--N 1.375 1.68 0 C-N-CA 124.802 1.241 . . . . 0.0 110.935 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -59.61 -38.17 80.55 Favored 'General case' 0 N--CA 1.528 3.437 0 C-N-CA 125.995 1.718 . . . . 0.0 112.735 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.82 -15.03 49.84 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 177.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.18 -29.69 11.97 Favored 'General case' 0 C--N 1.376 1.736 0 C-N-CA 124.116 0.966 . . . . 0.0 111.04 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.99 15.53 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 C-N-CA 127.29 2.236 . . . . 0.0 112.074 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.54 -72.77 0.71 Allowed Glycine 0 N--CA 1.484 1.881 0 CA-C-O 116.702 -2.165 . . . . 0.0 113.166 -175.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.53 -2.38 7.27 Favored 'Trans proline' 1 C--N 1.423 4.456 0 CA-C-N 122.068 2.934 . . . . 0.0 116.136 177.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mt -89.31 -13.82 37.11 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.243 1.417 . . . . 0.0 112.728 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.81 98.22 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 126.522 1.929 . . . . 0.0 115.881 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -94.63 -31.12 13.99 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 124.213 1.005 . . . . 0.0 110.743 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -118.36 105.28 11.56 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.358 1.463 . . . . 0.0 111.306 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -92.43 117.07 29.55 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 123.17 0.588 . . . . 0.0 112.388 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -125.04 -82.99 0.64 Allowed 'General case' 0 C--N 1.371 1.515 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.055 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -144.84 110.12 5.2 Favored 'General case' 0 C--N 1.381 1.962 0 C-N-CA 123.861 0.865 . . . . 0.0 110.573 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.9 m -115.03 107.52 49.86 Favored Pre-proline 0 C--N 1.388 2.246 0 CA-C-O 118.802 -0.618 . . . . 0.0 110.145 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -63.6 -35.8 56.9 Favored 'Trans proline' 1 C--N 1.43 4.864 0 C-N-CA 124.067 3.178 . . . . 0.0 117.451 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -107.84 27.8 8.85 Favored 'General case' 0 CA--C 1.579 2.07 0 C-N-CA 125.712 1.605 . . . . 0.0 114.054 -175.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -50.61 111.32 0.52 Allowed 'General case' 0 N--CA 1.506 2.336 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.58 57.92 0.61 Allowed 'General case' 0 C--N 1.364 1.236 0 CA-C-N 112.361 -2.2 . . . . 0.0 111.835 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -84.28 -12.68 54.25 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 112.665 -2.062 . . . . 0.0 112.557 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -79.99 -24.02 41.16 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 124.43 1.092 . . . . 0.0 111.385 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.81 -5.78 30.49 Favored 'General case' 0 C--N 1.386 2.191 0 O-C-N 123.557 0.536 . . . . 0.0 112.059 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.51 154.46 32.5 Favored 'General case' 0 C--N 1.382 2.018 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.85 110.46 15.47 Favored 'General case' 0 C--N 1.378 1.846 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.1 t -159.91 145.25 15.32 Favored 'General case' 0 C--O 1.25 1.106 0 CA-C-N 113.407 -1.724 . . . . 0.0 107.697 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -94.66 -21.6 18.69 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.769 -1.105 . . . . 0.0 113.759 -177.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.72 78.52 1.19 Allowed Glycine 0 N--CA 1.501 2.999 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.67 -54.27 1.33 Allowed 'General case' 0 C--N 1.378 1.807 0 O-C-N 123.845 0.379 . . . . 0.0 110.609 -173.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -179.11 175.47 0.96 Allowed 'General case' 0 C--N 1.409 3.162 0 O-C-N 126.145 2.153 . . . . 0.0 112.492 -173.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.13 -22.53 64.87 Favored 'General case' 0 N--CA 1.529 3.479 0 C-N-CA 125.338 1.455 . . . . 0.0 108.248 169.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.66 -35.35 85.72 Favored Glycine 0 C--N 1.378 2.898 0 C-N-CA 126.344 1.926 . . . . 0.0 114.14 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.63 -22.03 44.13 Favored 'General case' 0 C--N 1.391 2.403 0 CA-C-N 117.409 0.604 . . . . 0.0 111.557 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -81.59 -32.44 32.09 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 114.634 -1.166 . . . . 0.0 109.642 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.54 -36.48 52.26 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 124.905 1.282 . . . . 0.0 112.38 177.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.12 -35.92 71.94 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 125.096 1.358 . . . . 0.0 112.45 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -79.58 -28.6 41.12 Favored 'General case' 0 C--N 1.378 1.818 0 C-N-CA 123.517 0.727 . . . . 0.0 110.61 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.55 -39.54 67.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 125.008 1.442 . . . . 0.0 111.049 176.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -68.83 -37.34 79.11 Favored 'General case' 0 C--N 1.38 1.933 0 C-N-CA 124.785 1.234 . . . . 0.0 110.244 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.13 -25.71 61.83 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 125.895 1.678 . . . . 0.0 112.348 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.4 m -78.66 -30.09 46.07 Favored 'General case' 0 C--N 1.385 2.146 0 C-N-CA 123.894 0.878 . . . . 0.0 109.882 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.73 -42.17 64.4 Favored 'General case' 0 C--N 1.386 2.181 0 C-N-CA 124.439 1.096 . . . . 0.0 110.685 176.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.8 p -70.33 -29.15 65.79 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 126.038 1.735 . . . . 0.0 113.431 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -76.98 -39.9 48.77 Favored 'General case' 0 N--CA 1.512 2.639 0 C-N-CA 123.596 0.758 . . . . 0.0 112.333 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.24 -33.91 76.34 Favored 'General case' 0 C--N 1.392 2.42 0 C-N-CA 124.798 1.239 . . . . 0.0 111.078 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 29.8 mt-10 -63.82 -35.12 79.58 Favored 'General case' 0 C--N 1.388 2.278 0 C-N-CA 126.128 1.771 . . . . 0.0 112.12 175.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.98 89.37 Favored 'General case' 0 C--N 1.39 2.358 0 C-N-CA 123.699 0.8 . . . . 0.0 112.73 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.64 -30.26 67.92 Favored 'General case' 0 C--N 1.392 2.451 0 C-N-CA 123.507 0.723 . . . . 0.0 112.129 173.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.46 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 64.8 t -61.79 -38.81 81.37 Favored 'Isoleucine or valine' 0 C--N 1.387 2.221 0 C-N-CA 126.393 1.877 . . . . 0.0 109.786 175.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -53.69 -34.89 60.25 Favored 'General case' 0 C--N 1.395 2.564 0 C-N-CA 124.856 1.262 . . . . 0.0 112.205 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -70.58 -38.87 74.12 Favored 'General case' 0 C--N 1.404 2.958 0 C-N-CA 125.465 1.506 . . . . 0.0 112.739 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.48 33.95 2.58 Favored Glycine 0 C--N 1.378 2.866 0 N-CA-C 116.202 1.241 . . . . 0.0 116.202 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.89 114.72 23.76 Favored 'General case' 0 C--N 1.382 2.013 0 CA-C-O 122.023 0.916 . . . . 0.0 109.35 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.22 -34.13 74.37 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 112.751 -2.022 . . . . 0.0 113.231 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.1 m -71.15 -37.54 72.24 Favored 'General case' 0 CA--C 1.574 1.87 0 C-N-CA 124.765 1.226 . . . . 0.0 111.482 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.52 -21.85 57.62 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 123.839 0.856 . . . . 0.0 112.075 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -78.32 -47.81 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 125.809 1.644 . . . . 0.0 110.003 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.13 -37.76 84.39 Favored 'General case' 0 C--N 1.389 2.32 0 C-N-CA 127.544 2.338 . . . . 0.0 112.518 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.19 -46.05 90.65 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 125.506 1.523 . . . . 0.0 108.931 172.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.78 -38.83 90.09 Favored 'General case' 0 N--CA 1.504 2.252 0 C-N-CA 124.973 1.309 . . . . 0.0 111.517 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.19 96.55 Favored 'General case' 0 N--CA 1.515 2.81 0 C-N-CA 125.199 1.4 . . . . 0.0 112.697 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.75 -35.93 70.27 Favored 'General case' 0 N--CA 1.517 2.88 0 C-N-CA 126.153 1.781 . . . . 0.0 110.978 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -69.36 -32.16 71.05 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 125.066 1.346 . . . . 0.0 109.723 172.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -44.52 72.71 Favored 'General case' 0 C--N 1.379 1.879 0 C-N-CA 124.692 1.197 . . . . 0.0 111.534 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.1 -41.14 82.26 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 125.153 1.381 . . . . 0.0 112.55 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.79 -36.58 80.7 Favored 'General case' 0 C--N 1.387 2.229 0 C-N-CA 126.277 1.831 . . . . 0.0 111.832 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -73.84 -27.57 61.17 Favored 'General case' 0 C--N 1.374 1.654 0 C-N-CA 123.709 0.804 . . . . 0.0 112.793 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.568 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 32.2 mt -64.08 -46.94 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 1.5 mt-10 -66.23 -46.15 78.18 Favored 'General case' 0 N--CA 1.503 2.211 0 C-N-CA 124.792 1.237 . . . . 0.0 112.368 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.36 -45.72 53.36 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.476 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 56.7 mt -86.48 -42.68 13.37 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 -175.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.568 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 32.6 mt-30 -66.65 -38.4 86.8 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 123.827 0.705 . . . . 0.0 111.941 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.2 ttt180 -79.42 -36.81 38.43 Favored 'General case' 0 C--N 1.391 2.373 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.97 -27.46 54.76 Favored 'General case' 0 C--N 1.389 2.317 0 CA-C-N 119.206 0.912 . . . . 0.0 110.455 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 86' ' ' LEU . . . -76.82 -27.66 55.24 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 124.216 1.006 . . . . 0.0 108.852 173.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.472 ' HB1' ' O ' ' A' ' 87' ' ' GLN . . . -72.35 -30.21 64.52 Favored 'General case' 0 C--N 1.411 3.268 0 C-N-CA 125.179 1.392 . . . . 0.0 112.834 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 p -85.8 -22.78 27.48 Favored 'General case' 0 C--N 1.379 1.887 0 C-N-CA 125.14 1.376 . . . . 0.0 109.723 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.92 -27.81 55.04 Favored 'General case' 0 C--N 1.386 2.178 0 C-N-CA 125.482 1.513 . . . . 0.0 111.518 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.3 p -79.17 -10.58 59.86 Favored 'General case' 0 N--CA 1.514 2.753 0 C-N-CA 125.236 1.414 . . . . 0.0 111.699 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.3 tt -92.82 -38.01 12.0 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 126.773 2.029 . . . . 0.0 109.712 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -73.26 -6.12 43.92 Favored 'General case' 0 C--N 1.374 1.646 0 C-N-CA 124.969 1.308 . . . . 0.0 111.607 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -69.87 -9.28 54.28 Favored 'General case' 0 N--CA 1.512 2.651 0 C-N-CA 126.402 1.881 . . . . 0.0 112.743 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -59.9 -44.94 93.96 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-N 110.833 -2.894 . . . . 0.0 106.06 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -154.87 -28.91 0.11 Allowed 'General case' 1 N--CA 1.543 4.2 0 N-CA-C 119.771 3.249 . . . . 0.0 119.771 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -97.61 -36.81 10.16 Favored 'General case' 0 N--CA 1.506 2.357 0 C-N-CA 125.113 1.365 . . . . 0.0 113.217 -175.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.32 -22.14 38.72 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -78.95 -4.65 50.92 Favored 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 127.51 2.324 . . . . 0.0 113.154 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.14 -57.92 1.34 Allowed Pre-proline 0 CA--C 1.596 2.718 0 CA-C-O 116.431 -1.747 . . . . 0.0 111.635 -173.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -90.08 -9.46 3.75 Favored 'Trans proline' 1 C--N 1.456 6.199 0 CA-C-N 123.47 2.275 . . . . 0.0 116.248 175.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.49 -137.78 9.88 Favored Glycine 0 C--N 1.362 2.011 0 N-CA-C 116.257 1.263 . . . . 0.0 116.257 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.02 -44.1 1.53 Allowed Glycine 0 CA--C 1.533 1.209 0 CA-C-N 113.146 -1.527 . . . . 0.0 109.859 -174.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.31 -14.0 8.81 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 125.681 1.593 . . . . 0.0 111.472 177.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.92 -29.0 64.93 Favored 'General case' 0 N--CA 1.513 2.708 0 C-N-CA 124.34 1.056 . . . . 0.0 112.949 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -68.9 -36.87 78.55 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 124.871 1.269 . . . . 0.0 110.755 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -67.94 -35.99 79.36 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 125.984 1.714 . . . . 0.0 111.629 175.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 6.8 mpt_? -72.51 -49.23 34.38 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 123.77 0.828 . . . . 0.0 110.931 175.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.43 -60.16 4.14 Favored 'General case' 0 CA--C 1.592 2.576 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.81 -44.74 26.49 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 116.909 2.188 . . . . 0.0 116.909 -175.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 43.6 mt-10 -71.98 -36.5 69.82 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -178.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 8.2 m-85 -68.83 -41.46 78.53 Favored 'General case' 0 C--N 1.388 2.257 0 C-N-CA 123.253 0.621 . . . . 0.0 112.377 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -70.38 -38.39 74.71 Favored 'General case' 0 C--N 1.384 2.095 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.59 -43.77 72.13 Favored 'General case' 0 N--CA 1.518 2.933 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -70.29 -36.89 74.66 Favored 'General case' 0 N--CA 1.505 2.303 0 C-N-CA 124.373 1.069 . . . . 0.0 113.348 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -67.81 -37.03 81.44 Favored 'General case' 0 C--N 1.379 1.884 0 C-N-CA 124.737 1.215 . . . . 0.0 113.269 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -66.41 -41.82 88.7 Favored 'General case' 0 C--N 1.383 2.043 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -72.32 -41.46 66.52 Favored 'General case' 0 N--CA 1.51 2.553 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 178.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.0 -34.23 71.62 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-N 118.405 0.548 . . . . 0.0 110.515 174.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -30.54 65.3 Favored 'General case' 0 C--N 1.377 1.767 0 C-N-CA 124.785 1.234 . . . . 0.0 113.533 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.55 87.94 Favored 'General case' 0 C--N 1.402 2.885 0 C-N-CA 125.089 1.356 . . . . 0.0 111.852 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.53 -37.51 86.96 Favored 'General case' 0 C--N 1.395 2.58 0 O-C-N 125.086 1.491 . . . . 0.0 110.767 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -67.62 -38.14 83.49 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 125.203 1.401 . . . . 0.0 111.144 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -73.37 -44.84 57.86 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.32 -41.39 80.89 Favored 'General case' 0 N--CA 1.515 2.817 0 C-N-CA 124.429 1.091 . . . . 0.0 113.403 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.21 -37.88 86.61 Favored 'General case' 0 C--N 1.384 2.101 0 C-N-CA 124.637 1.175 . . . . 0.0 112.009 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.635 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 0.9 OUTLIER -66.73 -36.27 82.06 Favored 'General case' 0 C--N 1.39 2.364 0 CA-C-O 117.337 -1.316 . . . . 0.0 113.585 178.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -69.33 -47.32 64.78 Favored 'General case' 0 C--O 1.276 2.453 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -175.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -73.28 -39.46 65.35 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 113.297 -1.774 . . . . 0.0 113.958 -174.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -89.54 -10.52 45.85 Favored 'General case' 0 CA--C 1.578 2.048 0 C-N-CA 124.049 0.94 . . . . 0.0 113.464 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 130' ' ' GLU . . . -64.52 -37.1 86.39 Favored 'General case' 0 N--CA 1.521 3.077 0 C-N-CA 125.684 1.594 . . . . 0.0 111.95 175.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -78.18 -14.7 59.35 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 125.92 1.688 . . . . 0.0 113.545 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.74 -23.19 16.03 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 124.917 1.287 . . . . 0.0 110.011 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 70.81 82.63 0.15 Allowed 'General case' 0 C--N 1.395 2.571 0 C-N-CA 128.008 2.523 . . . . 0.0 109.813 -176.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.03 104.07 46.98 Favored Pre-proline 0 CA--C 1.558 1.278 0 CA-C-N 112.151 -2.295 . . . . 0.0 113.535 -177.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -62.45 -9.54 15.9 Favored 'Trans proline' 1 C--N 1.434 5.027 0 C-N-CA 124.225 3.283 . . . . 0.0 112.648 171.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 35.7 tt0 -58.41 -37.08 74.6 Favored 'General case' 0 CA--C 1.577 1.999 0 C-N-CA 125.46 1.504 . . . . 0.0 111.795 175.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.33 -32.7 74.26 Favored 'General case' 0 N--CA 1.517 2.902 0 C-N-CA 126.044 1.738 . . . . 0.0 112.642 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.18 77.21 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 114.25 -1.341 . . . . 0.0 109.702 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -72.14 -38.75 69.17 Favored 'General case' 0 CA--C 1.583 2.225 0 C-N-CA 123.679 0.792 . . . . 0.0 111.945 173.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 23.8 mt-10 -76.94 -45.97 25.85 Favored 'General case' 0 N--CA 1.515 2.781 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 73.2 mt -68.02 -41.88 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.063 0 C-N-CA 125.65 1.58 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 86.0 m -62.67 -40.42 97.04 Favored 'General case' 0 CA--C 1.584 2.265 0 O-C-N 124.523 1.14 . . . . 0.0 110.255 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.71 93.37 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 124.54 1.136 . . . . 0.0 112.457 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.27 -28.08 61.05 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 125.015 1.326 . . . . 0.0 111.747 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -31.63 71.33 Favored 'General case' 0 C--N 1.393 2.467 0 C-N-CA 126.122 1.769 . . . . 0.0 111.744 177.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -75.01 -34.43 61.92 Favored 'General case' 0 C--N 1.388 2.271 0 C-N-CA 125.329 1.452 . . . . 0.0 109.275 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -71.44 -35.34 70.9 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 125.219 1.408 . . . . 0.0 112.669 178.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.66 -41.29 98.23 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 124.832 1.253 . . . . 0.0 109.894 173.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.6 p -75.86 -37.25 59.12 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 123.959 0.787 . . . . 0.0 112.671 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -73.48 -29.39 62.48 Favored 'General case' 0 N--CA 1.516 2.86 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 178.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 5.3 t -75.92 -35.34 59.8 Favored 'General case' 0 C--N 1.38 1.928 0 C-N-CA 124.242 1.017 . . . . 0.0 109.891 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -67.34 -38.82 85.47 Favored 'General case' 0 C--N 1.393 2.493 0 C-N-CA 125.309 1.443 . . . . 0.0 111.552 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 20.7 m -70.3 -41.09 73.81 Favored 'General case' 0 C--N 1.384 2.083 0 C-N-CA 125.937 1.695 . . . . 0.0 111.311 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.59 87.31 Favored 'General case' 0 C--N 1.381 1.978 0 C-N-CA 125.945 1.698 . . . . 0.0 112.765 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 39.2 mt -70.57 -40.24 77.01 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.175 0 C-N-CA 125.691 1.597 . . . . 0.0 110.088 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.43 99.31 Favored 'General case' 0 C--N 1.393 2.492 0 C-N-CA 124.554 1.141 . . . . 0.0 113.796 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.0 -39.5 79.27 Favored 'General case' 0 N--CA 1.512 2.658 0 C-N-CA 125.131 1.372 . . . . 0.0 113.293 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 14.9 p -71.61 -30.16 65.48 Favored 'General case' 0 N--CA 1.508 2.436 0 C-N-CA 124.473 1.109 . . . . 0.0 112.425 178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.82 -31.76 65.04 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 124.735 1.214 . . . . 0.0 112.174 177.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.16 -37.1 80.65 Favored 'General case' 0 N--CA 1.513 2.69 0 C-N-CA 125.068 1.347 . . . . 0.0 112.318 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.14 -33.03 71.3 Favored 'General case' 0 C--N 1.376 1.757 0 C-N-CA 124.797 1.239 . . . . 0.0 110.481 176.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.9 mt -73.45 -29.21 62.4 Favored 'General case' 0 C--N 1.39 2.332 0 C-N-CA 125.422 1.489 . . . . 0.0 112.124 177.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.56 -32.29 71.0 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 125.853 1.661 . . . . 0.0 112.779 177.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -79.95 -13.33 59.44 Favored 'General case' 0 C--N 1.383 2.064 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -177.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.12 -2.33 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 CA-C-N 118.954 0.797 . . . . 0.0 110.143 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 170' ' ' THR . 32.4 m -98.76 3.3 47.51 Favored 'General case' 0 CA--C 1.586 2.36 0 C-N-CA 124.991 1.316 . . . . 0.0 111.305 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 . . . . . 0 N--CA 1.531 3.577 0 C-N-CA 127.018 2.127 . . . . 0.0 113.564 -179.082 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.117 0.484 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -116.39 122.78 45.84 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 124.033 0.933 . . . . 0.0 111.379 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.48 -56.71 0.03 OUTLIER Pre-proline 0 CA--C 1.581 2.157 0 CA-C-O 116.175 -1.869 . . . . 0.0 111.827 178.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -75.78 112.89 3.61 Favored 'Trans proline' 1 C--N 1.451 5.963 0 CA-C-N 123.915 2.434 . . . . 0.0 113.644 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.04 -48.09 5.26 Favored 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 123.084 0.554 . . . . 0.0 111.565 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -38.07 50.4 Favored 'General case' 0 C--N 1.372 1.577 0 C-N-CA 125.195 1.398 . . . . 0.0 112.435 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -33.04 72.93 Favored 'General case' 0 C--N 1.381 1.971 0 C-N-CA 124.486 1.115 . . . . 0.0 111.683 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -69.49 -37.54 77.28 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 124.558 1.161 . . . . 0.0 111.522 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.5 m -71.48 -40.77 70.03 Favored 'General case' 0 C--N 1.383 2.065 0 C-N-CA 123.634 0.774 . . . . 0.0 111.343 176.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mt -58.86 -44.71 91.09 Favored 'General case' 0 C--N 1.388 2.278 0 O-C-N 124.336 1.022 . . . . 0.0 112.27 173.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -65.49 -39.56 92.06 Favored 'General case' 0 C--N 1.397 2.641 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -70.04 -36.93 75.41 Favored 'General case' 0 C--N 1.378 1.827 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.777 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.89 -30.4 71.5 Favored 'General case' 0 N--CA 1.51 2.537 0 C-N-CA 124.268 1.027 . . . . 0.0 111.803 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.63 -44.94 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.332 0 C-N-CA 125.357 1.463 . . . . 0.0 110.021 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.43 ' O ' HD23 ' A' ' 86' ' ' LEU . . . -69.17 -28.71 66.65 Favored 'General case' 0 N--CA 1.505 2.293 0 C-N-CA 124.152 0.981 . . . . 0.0 111.283 174.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.64 91.26 Favored 'General case' 0 N--CA 1.506 2.367 0 C-N-CA 125.45 1.5 . . . . 0.0 109.453 172.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.83 -37.48 73.19 Favored 'General case' 0 C--N 1.374 1.653 0 CA-C-O 117.497 -1.239 . . . . 0.0 111.037 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -59.48 -39.28 83.22 Favored 'General case' 0 N--CA 1.531 3.606 0 C-N-CA 126.313 1.845 . . . . 0.0 113.877 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.79 -14.11 56.82 Favored 'General case' 0 CA--C 1.56 1.354 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 176.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 mp -99.68 -25.84 14.26 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 124.236 1.014 . . . . 0.0 110.233 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.38 15.45 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 C-N-CA 127.405 2.282 . . . . 0.0 112.182 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.43 -67.82 1.68 Allowed Glycine 0 N--CA 1.489 2.223 0 CA-C-O 117.181 -1.9 . . . . 0.0 114.001 -175.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -71.7 -8.1 22.47 Favored 'Trans proline' 1 C--N 1.426 4.631 0 CA-C-N 122.042 2.921 . . . . 0.0 115.532 176.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mt -91.9 -6.49 51.36 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 125.759 1.624 . . . . 0.0 112.944 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.79 86.81 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 44' ' ' ALA . 19.3 m -96.53 -20.91 18.02 Favored 'General case' 0 C--N 1.385 2.147 0 C-N-CA 124.036 0.934 . . . . 0.0 113.002 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -104.01 146.64 28.4 Favored 'General case' 0 N--CA 1.504 2.261 0 C-N-CA 125.06 1.344 . . . . 0.0 112.105 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 74.1 137.53 0.06 Allowed 'General case' 0 N--CA 1.538 3.958 0 C-N-CA 127.229 2.212 . . . . 0.0 113.763 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -101.25 6.89 43.1 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 124.104 0.962 . . . . 0.0 113.47 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -108.52 144.67 35.86 Favored 'General case' 0 CA--C 1.584 2.267 0 C-N-CA 124.105 0.962 . . . . 0.0 110.464 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.8 m -114.08 104.81 54.76 Favored Pre-proline 0 C--N 1.392 2.426 0 CA-C-N 118.723 0.692 . . . . 0.0 112.469 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -81.63 -59.54 0.03 OUTLIER 'Trans proline' 1 C--N 1.432 4.949 0 C-N-CA 122.231 1.954 . . . . 0.0 114.977 175.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -119.22 14.59 13.04 Favored 'General case' 0 C--N 1.385 2.138 0 C-N-CA 125.362 1.465 . . . . 0.0 112.147 177.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.33 110.76 11.12 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.9 90.66 6.58 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 118.892 -1.123 . . . . 0.0 110.328 -178.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -83.56 -4.54 58.64 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 113.399 -1.728 . . . . 0.0 114.01 -177.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -80.15 -26.96 39.11 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.003 0.921 . . . . 0.0 110.921 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 mt -100.4 -3.99 29.92 Favored 'General case' 0 C--N 1.385 2.123 0 C-N-CA 123.851 0.86 . . . . 0.0 111.921 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -120.87 155.88 33.17 Favored 'General case' 0 C--N 1.382 1.988 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.51 111.98 16.94 Favored 'General case' 0 C--N 1.378 1.812 0 CA-C-N 113.814 -1.539 . . . . 0.0 107.014 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.5 t -137.53 158.58 44.08 Favored 'General case' 0 N--CA 1.499 1.993 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.466 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -108.46 47.04 0.92 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -176.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.23 -69.59 0.49 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 118.869 2.307 . . . . 0.0 118.869 169.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 26' ' ' SER . . . -173.08 60.09 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 119.939 1.87 . . . . 0.0 110.571 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -135.19 136.37 41.74 Favored 'General case' 0 CA--C 1.558 1.265 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -178.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -28.12 65.26 Favored 'General case' 0 N--CA 1.526 3.34 0 C-N-CA 123.884 0.873 . . . . 0.0 109.068 171.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.22 -36.39 92.34 Favored Glycine 0 C--N 1.382 3.1 0 O-C-N 125.062 1.476 . . . . 0.0 113.981 176.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -23.53 39.76 Favored 'General case' 0 C--N 1.395 2.575 0 CA-C-N 117.756 0.778 . . . . 0.0 112.138 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -81.28 -31.74 33.53 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.193 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mt -77.22 -34.33 56.06 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 125.021 1.328 . . . . 0.0 112.755 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.09 -31.06 68.45 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.309 1.444 . . . . 0.0 111.253 176.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -80.04 -31.45 39.5 Favored 'General case' 0 C--N 1.382 2.009 0 C-N-CA 123.404 0.681 . . . . 0.0 109.402 178.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.22 -40.4 67.83 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 125.195 1.559 . . . . 0.0 112.122 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -67.35 -37.74 83.72 Favored 'General case' 0 N--CA 1.503 2.222 0 C-N-CA 124.873 1.269 . . . . 0.0 110.858 174.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.63 -26.04 61.52 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 126.087 1.755 . . . . 0.0 112.977 177.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 m -78.31 -30.74 48.47 Favored 'General case' 0 C--N 1.386 2.184 0 C-N-CA 123.991 0.916 . . . . 0.0 110.275 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.19 -43.39 67.52 Favored 'General case' 0 C--N 1.383 2.037 0 C-N-CA 124.372 1.069 . . . . 0.0 110.684 176.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.1 p -70.72 -31.62 68.54 Favored 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 125.761 1.624 . . . . 0.0 114.197 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -77.51 -42.29 36.16 Favored 'General case' 0 N--CA 1.513 2.712 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.31 -32.28 72.29 Favored 'General case' 0 C--N 1.389 2.325 0 C-N-CA 124.246 1.018 . . . . 0.0 111.222 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.471 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 11.6 mt-10 -66.24 -32.61 74.13 Favored 'General case' 0 C--N 1.386 2.177 0 C-N-CA 126.063 1.745 . . . . 0.0 112.103 176.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.3 90.57 Favored 'General case' 0 C--N 1.391 2.406 0 C-N-CA 124.058 0.943 . . . . 0.0 112.325 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.29 67.93 Favored 'General case' 0 C--N 1.395 2.559 0 C-N-CA 123.763 0.825 . . . . 0.0 112.162 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.471 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 52.4 t -60.92 -38.83 80.19 Favored 'Isoleucine or valine' 0 C--N 1.383 2.058 0 C-N-CA 126.462 1.905 . . . . 0.0 110.365 175.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -53.33 -33.01 51.7 Favored 'General case' 0 C--N 1.392 2.444 0 O-C-N 124.902 1.376 . . . . 0.0 112.682 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -70.27 -37.42 74.86 Favored 'General case' 0 C--N 1.402 2.858 0 C-N-CA 125.336 1.454 . . . . 0.0 112.69 176.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.13 35.65 1.77 Allowed Glycine 0 C--N 1.375 2.708 0 N-CA-C 116.443 1.337 . . . . 0.0 116.443 175.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.25 110.26 21.79 Favored 'General case' 0 C--N 1.38 1.911 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.17 -25.02 62.36 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 113.594 -1.639 . . . . 0.0 113.536 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.9 m -71.67 -37.69 70.73 Favored 'General case' 0 CA--C 1.572 1.825 0 C-N-CA 124.954 1.302 . . . . 0.0 111.047 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -75.74 -22.61 56.37 Favored 'General case' 0 C--N 1.39 2.364 0 C-N-CA 124.105 0.962 . . . . 0.0 112.018 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.9 t -76.68 -48.47 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 C-N-CA 126.387 1.875 . . . . 0.0 109.699 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.33 84.39 Favored 'General case' 0 C--N 1.386 2.153 0 C-N-CA 127.184 2.194 . . . . 0.0 112.494 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -41.7 98.12 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 125.771 1.628 . . . . 0.0 109.643 172.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.4 tt -71.47 -37.56 71.32 Favored 'General case' 0 CA--C 1.572 1.792 0 C-N-CA 124.586 1.154 . . . . 0.0 109.81 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.81 -40.67 97.17 Favored 'General case' 0 N--CA 1.512 2.644 0 C-N-CA 124.787 1.235 . . . . 0.0 112.269 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -70.91 -37.91 72.96 Favored 'General case' 0 N--CA 1.517 2.886 0 C-N-CA 126.36 1.864 . . . . 0.0 110.92 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -70.24 -33.91 72.2 Favored 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 125.509 1.523 . . . . 0.0 110.377 173.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -45.4 70.53 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 124.46 1.104 . . . . 0.0 112.338 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.96 -41.38 82.53 Favored 'General case' 0 C--N 1.388 2.258 0 C-N-CA 125.083 1.353 . . . . 0.0 112.96 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.17 83.91 Favored 'General case' 0 C--N 1.389 2.315 0 C-N-CA 126.079 1.751 . . . . 0.0 112.124 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -73.11 -28.04 62.04 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 123.511 0.724 . . . . 0.0 112.876 176.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.541 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 27.7 mt -63.14 -46.65 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.362 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.72 -47.32 72.71 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 124.628 1.171 . . . . 0.0 112.539 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.2 -44.47 62.92 Favored 'General case' 0 C--N 1.377 1.803 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.635 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 62.2 mt -86.45 -46.62 10.04 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -175.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.541 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 19.4 mt-30 -65.24 -36.0 82.78 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 124.068 0.855 . . . . 0.0 112.737 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -74.91 -41.02 60.52 Favored 'General case' 0 CA--C 1.585 2.321 0 C-N-CA 124.752 1.221 . . . . 0.0 113.346 177.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -75.52 -26.65 58.24 Favored 'General case' 0 C--N 1.392 2.436 0 CA-C-N 119.753 1.161 . . . . 0.0 110.132 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 86' ' ' LEU . . . -77.35 -24.0 50.79 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 126.017 1.727 . . . . 0.0 110.331 174.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.6 91.21 Favored 'General case' 0 C--N 1.409 3.179 0 C-N-CA 123.741 0.816 . . . . 0.0 113.202 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 p -76.03 -29.15 57.99 Favored 'General case' 0 C--N 1.389 2.317 0 C-N-CA 124.766 1.226 . . . . 0.0 111.191 175.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.94 -34.92 70.41 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 125.171 1.388 . . . . 0.0 113.727 174.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.3 p -73.83 -8.35 55.71 Favored 'General case' 0 N--CA 1.523 3.214 0 C-N-CA 125.1 1.36 . . . . 0.0 114.048 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.85 -13.13 59.99 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 126.199 1.8 . . . . 0.0 112.696 172.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -93.77 -4.6 49.99 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 122.162 0.982 . . . . 0.0 108.433 172.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -113.96 26.82 10.01 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 126.698 1.999 . . . . 0.0 112.828 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -121.13 -7.56 9.37 Favored 'General case' 0 CA--C 1.574 1.871 0 N-CA-C 104.408 -2.441 . . . . 0.0 104.408 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.78 -150.56 0.46 Allowed 'General case' 0 C--N 1.408 3.126 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -177.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -95.97 1.34 52.72 Favored 'General case' 0 N--CA 1.518 2.973 0 C-N-CA 124.908 1.283 . . . . 0.0 111.265 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.27 -11.33 59.82 Favored 'General case' 0 CA--C 1.576 1.948 0 C-N-CA 128.973 2.909 . . . . 0.0 109.814 173.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -62.89 -35.95 81.74 Favored 'General case' 0 CA--C 1.581 2.161 0 CA-C-N 112.041 -2.345 . . . . 0.0 114.462 -174.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.02 -53.86 31.04 Favored Pre-proline 0 CA--C 1.595 2.706 0 CA-C-O 116.133 -1.889 . . . . 0.0 113.012 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -85.27 -4.65 9.46 Favored 'Trans proline' 1 C--N 1.451 5.927 0 CA-C-N 123.991 2.461 . . . . 0.0 115.188 174.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -140.93 97.82 0.22 Allowed Glycine 0 C--N 1.357 1.748 0 N-CA-C 107.898 -2.081 . . . . 0.0 107.898 174.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 171.6 -52.31 0.18 Allowed Glycine 0 C--N 1.344 1.015 0 CA-C-O 119.582 -0.565 . . . . 0.0 112.152 -173.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -66.05 -41.22 91.13 Favored 'General case' 0 N--CA 1.511 2.61 0 C-N-CA 125.021 1.328 . . . . 0.0 113.059 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.3 -29.28 57.28 Favored 'General case' 0 N--CA 1.506 2.355 0 C-N-CA 124.543 1.137 . . . . 0.0 112.59 176.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -70.49 -35.03 73.01 Favored 'General case' 0 C--N 1.382 1.984 0 C-N-CA 125.045 1.338 . . . . 0.0 110.738 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -65.47 -34.91 79.39 Favored 'General case' 0 C--N 1.396 2.595 0 C-N-CA 126.248 1.819 . . . . 0.0 111.0 173.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.607 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -71.91 -45.72 60.2 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 123.481 0.713 . . . . 0.0 110.401 174.902 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -62.49 1.76 Allowed 'General case' 0 CA--C 1.599 2.859 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.76 -42.06 18.44 Favored 'General case' 0 C--N 1.383 2.027 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -175.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 31.2 mt-10 -75.04 -28.16 60.32 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.607 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 4.0 m-85 -69.9 -40.34 75.67 Favored 'General case' 0 C--N 1.392 2.431 0 CA-C-N 118.581 0.628 . . . . 0.0 112.138 176.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -70.12 -35.45 74.12 Favored 'General case' 0 C--N 1.386 2.175 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.77 -40.74 79.57 Favored 'General case' 0 N--CA 1.517 2.898 0 C-N-CA 124.494 1.118 . . . . 0.0 113.723 178.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -70.41 -35.66 73.56 Favored 'General case' 0 N--CA 1.507 2.387 0 C-N-CA 124.504 1.122 . . . . 0.0 112.372 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -71.11 -27.96 63.96 Favored 'General case' 0 C--N 1.383 2.038 0 C-N-CA 124.974 1.309 . . . . 0.0 111.978 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -66.36 -47.41 73.49 Favored 'General case' 0 C--N 1.387 2.21 0 C-N-CA 125.985 1.714 . . . . 0.0 113.447 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -72.23 -39.39 68.52 Favored 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.6 mt -59.46 -34.32 72.38 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 123.582 0.551 . . . . 0.0 110.442 173.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.16 -31.59 67.88 Favored 'General case' 0 C--N 1.379 1.87 0 C-N-CA 124.567 1.147 . . . . 0.0 113.143 176.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.21 92.46 Favored 'General case' 0 C--N 1.404 2.959 0 C-N-CA 125.202 1.401 . . . . 0.0 112.405 -177.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.2 mtt -64.37 -39.81 94.6 Favored 'General case' 0 C--N 1.396 2.619 0 O-C-N 125.111 1.507 . . . . 0.0 110.719 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -66.12 -40.76 90.95 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 124.545 1.138 . . . . 0.0 110.668 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -64.13 -40.66 96.66 Favored 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 -175.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.01 -40.53 78.61 Favored 'General case' 0 N--CA 1.51 2.569 0 C-N-CA 123.897 0.879 . . . . 0.0 111.976 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.68 -32.36 69.59 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 124.522 1.129 . . . . 0.0 112.462 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 63.5 mt-10 -65.89 -42.82 89.8 Favored 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 125.712 1.605 . . . . 0.0 113.682 178.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -73.14 -42.93 62.32 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -177.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.04 -40.25 68.51 Favored 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -173.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -88.94 -13.61 38.61 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -65.52 -38.56 90.02 Favored 'General case' 0 N--CA 1.515 2.786 0 C-N-CA 125.42 1.488 . . . . 0.0 113.359 175.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -84.62 -17.11 39.71 Favored 'General case' 0 N--CA 1.508 2.427 0 C-N-CA 125.94 1.696 . . . . 0.0 114.026 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -93.34 -19.97 20.82 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 126.141 1.776 . . . . 0.0 109.584 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.14 88.16 0.09 Allowed 'General case' 0 C--N 1.389 2.307 0 C-N-CA 126.47 1.908 . . . . 0.0 108.257 -176.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.98 128.43 21.48 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-N 112.155 -2.293 . . . . 0.0 115.973 -175.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -68.97 -8.35 23.32 Favored 'Trans proline' 1 C--N 1.428 4.756 0 C-N-CA 122.814 2.343 . . . . 0.0 111.568 170.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -64.1 -27.87 69.39 Favored 'General case' 0 C--N 1.391 2.397 0 C-N-CA 123.888 0.875 . . . . 0.0 111.427 176.496 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.32 -40.99 83.55 Favored 'General case' 0 N--CA 1.521 3.093 0 C-N-CA 126.01 1.724 . . . . 0.0 112.004 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.37 70.66 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-N 113.251 -1.795 . . . . 0.0 110.751 -175.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -72.16 -38.93 69.05 Favored 'General case' 0 CA--C 1.58 2.117 0 O-C-N 123.918 0.761 . . . . 0.0 112.358 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 29.9 mt-10 -78.07 -50.04 12.81 Favored 'General case' 0 N--CA 1.511 2.591 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -177.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' A' ' 149' ' ' ASP . 5.7 mt -69.35 -39.79 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.66 0 C-N-CA 124.182 0.993 . . . . 0.0 110.445 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 92.4 m -63.41 -40.93 98.53 Favored 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 123.73 0.812 . . . . 0.0 110.974 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.32 93.72 Favored 'General case' 0 N--CA 1.511 2.599 0 C-N-CA 124.248 1.019 . . . . 0.0 112.865 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.37 -27.63 59.21 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 124.659 1.184 . . . . 0.0 111.599 177.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 0.4 OUTLIER -69.52 -31.74 70.16 Favored 'General case' 0 C--N 1.394 2.51 0 C-N-CA 125.972 1.709 . . . . 0.0 110.988 177.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -74.06 -36.17 64.33 Favored 'General case' 0 C--N 1.389 2.292 0 C-N-CA 126.142 1.777 . . . . 0.0 109.36 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -72.03 -32.86 67.55 Favored 'General case' 0 C--N 1.386 2.162 0 C-N-CA 125.534 1.534 . . . . 0.0 112.352 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.56 -39.69 91.97 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 124.57 1.148 . . . . 0.0 108.893 174.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 17.6 p -76.65 -35.16 58.15 Favored 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 123.596 0.758 . . . . 0.0 112.144 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -70.38 -31.48 68.74 Favored 'General case' 0 N--CA 1.509 2.488 0 C-N-CA 124.766 1.227 . . . . 0.0 112.05 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 66.8 m -70.58 -37.73 73.98 Favored 'General case' 0 C--N 1.383 2.057 0 C-N-CA 123.83 0.852 . . . . 0.0 110.158 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.443 ' O ' ' HB1' ' A' ' 160' ' ' ALA . 0.2 OUTLIER -58.14 -37.13 74.03 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 124.451 1.101 . . . . 0.0 113.636 176.577 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -42.33 68.45 Favored 'General case' 0 CA--C 1.573 1.845 0 C-N-CA 124.023 0.929 . . . . 0.0 111.449 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.8 75.1 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.237 1.415 . . . . 0.0 112.844 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 46.4 mt -70.2 -43.93 78.34 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.742 0 C-N-CA 125.744 1.618 . . . . 0.0 109.861 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 156' ' ' ARG . . . -62.43 -39.83 94.59 Favored 'General case' 0 N--CA 1.511 2.623 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 176.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -65.34 -39.47 92.42 Favored 'General case' 0 N--CA 1.516 2.848 0 C-N-CA 124.785 1.234 . . . . 0.0 113.598 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 17.7 p -70.6 -33.12 70.69 Favored 'General case' 0 N--CA 1.511 2.618 0 C-N-CA 124.045 0.938 . . . . 0.0 112.246 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.13 -36.36 74.72 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 125.043 1.337 . . . . 0.0 112.127 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.5 -37.38 86.61 Favored 'General case' 0 N--CA 1.516 2.842 0 C-N-CA 125.189 1.395 . . . . 0.0 112.619 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.0 -33.35 73.52 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.725 1.21 . . . . 0.0 110.899 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -28.67 54.1 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 125.663 1.585 . . . . 0.0 112.046 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -68.68 -34.89 76.45 Favored 'General case' 0 N--CA 1.506 2.363 0 C-N-CA 125.935 1.694 . . . . 0.0 112.13 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.76 -3.74 45.84 Favored 'General case' 0 C--N 1.385 2.125 0 C-N-CA 125.37 1.468 . . . . 0.0 114.503 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 6.2 mt -104.47 103.92 16.02 Favored 'Isoleucine or valine' 0 C--N 1.37 1.457 0 CA-C-O 123.966 1.841 . . . . 0.0 107.228 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . 0.253 3.6 m 49.44 56.86 7.19 Favored 'General case' 0 CA--C 1.562 1.44 0 CA-C-N 108.649 -3.887 . . . . 0.0 112.763 -175.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 . . . . . 0 N--CA 1.508 2.455 0 CA-C-N 112.948 -1.933 . . . . 0.0 115.103 174.525 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -105.42 -43.1 5.06 Favored 'General case' 0 N--CA 1.503 2.186 0 C-N-CA 123.99 0.916 . . . . 0.0 112.857 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -128.83 90.46 45.92 Favored Pre-proline 0 CA--C 1.573 1.831 0 C-N-CA 123.651 0.781 . . . . 0.0 111.333 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.93 -16.01 42.29 Favored 'Trans proline' 1 C--N 1.43 4.843 0 C-N-CA 124.486 3.457 . . . . 0.0 117.838 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mt -84.39 -36.04 22.73 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 119.045 0.839 . . . . 0.0 111.805 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.11 -36.37 48.04 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 125.049 1.34 . . . . 0.0 112.448 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -31.93 70.48 Favored 'General case' 0 C--N 1.385 2.114 0 C-N-CA 123.939 0.896 . . . . 0.0 109.535 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.41 -37.42 85.18 Favored 'General case' 0 C--N 1.372 1.561 0 O-C-N 124.675 1.235 . . . . 0.0 110.531 177.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -70.03 -40.95 74.87 Favored 'General case' 0 C--N 1.385 2.15 0 C-N-CA 124.171 0.988 . . . . 0.0 110.833 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.58 -43.94 89.62 Favored 'General case' 0 C--N 1.39 2.336 0 O-C-N 124.399 1.062 . . . . 0.0 112.093 173.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -64.76 -40.65 95.63 Favored 'General case' 0 C--N 1.401 2.835 0 C-N-CA 125.393 1.477 . . . . 0.0 114.734 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.47 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 1.7 m -69.68 -36.36 75.92 Favored 'General case' 0 C--N 1.378 1.829 0 CA-C-O 117.858 -1.067 . . . . 0.0 110.588 178.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.74 -30.99 71.85 Favored 'General case' 0 N--CA 1.504 2.253 0 C-N-CA 123.991 0.916 . . . . 0.0 111.498 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.4 t -75.87 -47.94 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.475 0 C-N-CA 125.711 1.604 . . . . 0.0 111.32 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.49 -29.42 67.06 Favored 'General case' 0 N--CA 1.505 2.311 0 CA-C-N 118.807 0.731 . . . . 0.0 111.342 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 12' ' ' THR . . . -65.18 -39.95 93.58 Favored 'General case' 0 N--CA 1.511 2.588 0 C-N-CA 125.054 1.342 . . . . 0.0 110.331 171.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -34.91 68.55 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 125.296 1.438 . . . . 0.0 111.568 177.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -60.68 -39.94 90.31 Favored 'General case' 0 N--CA 1.508 2.436 0 C-N-CA 127.385 2.274 . . . . 0.0 111.785 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -29.4 64.48 Favored 'General case' 0 N--CA 1.505 2.28 0 C-N-CA 124.197 0.999 . . . . 0.0 111.942 175.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 16' ' ' ALA . 3.3 mm? -79.38 -21.34 45.86 Favored 'General case' 0 CA--C 1.589 2.448 0 C-N-CA 123.683 0.793 . . . . 0.0 112.075 174.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.3 mt -110.45 18.48 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.551 0 C-N-CA 128.275 2.63 . . . . 0.0 109.14 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.01 -84.56 0.16 Allowed Glycine 0 C--N 1.369 2.4 0 CA-C-O 116.713 -2.159 . . . . 0.0 112.383 -176.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -66.75 -2.42 7.58 Favored 'Trans proline' 1 C--N 1.421 4.378 0 CA-C-N 122.183 2.991 . . . . 0.0 115.125 175.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.62 -8.69 54.24 Favored 'General case' 0 CA--C 1.58 2.122 0 C-N-CA 126.407 1.883 . . . . 0.0 113.134 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.16 98.18 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 126.672 1.989 . . . . 0.0 115.846 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.01 -34.89 13.54 Favored 'General case' 0 C--N 1.384 2.104 0 C-N-CA 124.24 1.016 . . . . 0.0 111.266 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -118.49 119.9 35.91 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 125.497 1.519 . . . . 0.0 112.123 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -85.09 122.44 29.31 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 123.574 0.75 . . . . 0.0 112.752 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -117.84 -125.55 0.28 Allowed 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 124.063 0.945 . . . . 0.0 110.773 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -133.11 93.34 3.16 Favored 'General case' 0 C--N 1.386 2.189 0 CA-C-N 119.779 1.172 . . . . 0.0 112.206 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.4 m -114.79 118.38 40.97 Favored Pre-proline 0 C--N 1.382 2.022 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.413 175.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.92 -18.54 27.87 Favored 'Trans proline' 1 C--N 1.429 4.776 0 C-N-CA 122.837 2.358 . . . . 0.0 116.522 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -106.92 23.53 14.22 Favored 'General case' 0 CA--C 1.581 2.147 0 C-N-CA 125.044 1.338 . . . . 0.0 112.529 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.24 107.02 2.64 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 123.9 0.88 . . . . 0.0 110.543 -178.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.44 92.39 3.61 Favored 'General case' 0 C--N 1.377 1.775 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.853 178.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -82.5 -3.37 55.75 Favored 'General case' 0 N--CA 1.51 2.564 0 C-N-CA 125.308 1.443 . . . . 0.0 114.085 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -79.17 -16.71 56.2 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 123.712 0.805 . . . . 0.0 112.487 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.37 -4.53 59.19 Favored 'General case' 0 C--N 1.387 2.205 0 C-N-CA 123.753 0.821 . . . . 0.0 113.089 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.97 156.32 29.79 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 123.823 0.849 . . . . 0.0 112.573 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.54 112.3 18.32 Favored 'General case' 0 C--N 1.382 1.999 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.8 m 68.01 113.44 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.42 0 C-N-CA 127.87 2.468 . . . . 0.0 113.898 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -91.42 -45.64 8.44 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 112.251 -2.249 . . . . 0.0 110.969 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.06 8.12 41.03 Favored Glycine 1 N--CA 1.519 4.188 0 CA-C-O 115.823 -2.654 . . . . 0.0 118.241 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 60.51 29.06 18.72 Favored 'General case' 0 C--N 1.407 3.106 0 CA-C-N 121.844 2.822 . . . . 0.0 112.241 -175.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -156.4 151.17 25.95 Favored 'General case' 0 C--N 1.376 1.729 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -175.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -70.61 -22.68 62.51 Favored 'General case' 0 N--CA 1.522 3.174 0 C-N-CA 124.996 1.318 . . . . 0.0 108.69 169.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.75 -35.69 87.21 Favored Glycine 0 C--N 1.382 3.134 0 C-N-CA 124.965 1.269 . . . . 0.0 114.377 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.88 -23.46 39.0 Favored 'General case' 0 C--N 1.395 2.585 0 CA-C-N 117.879 0.84 . . . . 0.0 111.206 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -81.08 -31.61 34.32 Favored 'General case' 0 C--N 1.388 2.265 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.861 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -77.6 -33.08 53.93 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 125.136 1.375 . . . . 0.0 112.301 176.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -39.16 73.6 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.154 1.382 . . . . 0.0 111.863 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.07 -32.19 61.44 Favored 'General case' 0 C--N 1.384 2.083 0 C-N-CA 123.687 0.795 . . . . 0.0 111.378 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.12 -39.28 68.97 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 125.117 1.511 . . . . 0.0 112.261 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.12 -40.21 86.78 Favored 'General case' 0 CA--C 1.576 1.967 0 C-N-CA 124.166 0.986 . . . . 0.0 110.346 175.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -72.92 -25.73 61.16 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 126.503 1.921 . . . . 0.0 113.779 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 t -79.15 -34.06 43.59 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 123.939 0.896 . . . . 0.0 110.035 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.2 tp -72.13 -39.81 68.56 Favored 'General case' 0 C--N 1.381 1.957 0 C-N-CA 125.081 1.352 . . . . 0.0 110.617 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.1 p -71.17 -30.41 66.39 Favored 'General case' 0 N--CA 1.508 2.453 0 C-N-CA 125.204 1.402 . . . . 0.0 112.788 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -77.47 -35.46 53.75 Favored 'General case' 0 N--CA 1.51 2.532 0 C-N-CA 123.881 0.872 . . . . 0.0 112.611 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.28 -33.08 73.7 Favored 'General case' 0 C--N 1.392 2.417 0 C-N-CA 125.052 1.341 . . . . 0.0 110.791 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.0 -36.77 82.51 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 126.788 2.035 . . . . 0.0 111.557 175.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.88 94.17 Favored 'General case' 0 C--N 1.394 2.512 0 O-C-N 124.457 1.098 . . . . 0.0 112.014 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.12 -29.19 70.34 Favored 'General case' 0 C--N 1.394 2.53 0 C-N-CA 124.942 1.297 . . . . 0.0 113.486 173.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.9 t -66.69 -37.5 79.64 Favored 'Isoleucine or valine' 0 C--N 1.384 2.096 0 C-N-CA 124.956 1.302 . . . . 0.0 108.245 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -65.59 -19.6 65.98 Favored 'General case' 0 N--CA 1.51 2.543 0 C-N-CA 125.891 1.676 . . . . 0.0 111.929 174.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -77.24 -39.75 47.33 Favored 'General case' 0 C--N 1.383 2.026 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 172.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.43 30.96 2.71 Favored Glycine 0 C--N 1.383 3.177 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 171.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.91 114.83 27.13 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-O 121.923 0.868 . . . . 0.0 110.866 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.07 -25.57 61.83 Favored 'General case' 0 N--CA 1.502 2.131 0 CA-C-N 113.233 -1.803 . . . . 0.0 112.51 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.9 m -71.16 -37.85 72.21 Favored 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 125.307 1.443 . . . . 0.0 110.787 176.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -74.49 -23.0 58.79 Favored 'General case' 0 C--N 1.39 2.367 0 C-N-CA 124.275 1.03 . . . . 0.0 112.263 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.25 -46.88 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 126.39 1.876 . . . . 0.0 109.659 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.16 85.78 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 127.329 2.252 . . . . 0.0 112.486 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -46.13 86.71 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 126.132 1.773 . . . . 0.0 109.011 172.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.62 -41.98 98.23 Favored 'General case' 0 N--CA 1.511 2.585 0 O-C-N 124.711 1.257 . . . . 0.0 111.145 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.56 94.74 Favored 'General case' 0 N--CA 1.512 2.639 0 C-N-CA 125.183 1.393 . . . . 0.0 112.952 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.44 -38.08 77.66 Favored 'General case' 0 N--CA 1.52 3.049 0 C-N-CA 125.722 1.609 . . . . 0.0 111.31 176.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -69.92 -32.37 70.63 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 125.284 1.434 . . . . 0.0 110.244 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.96 -45.95 76.16 Favored 'General case' 0 CA--C 1.577 2.012 0 C-N-CA 124.87 1.268 . . . . 0.0 112.036 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.27 -39.79 82.06 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 125.09 1.356 . . . . 0.0 112.896 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.79 -36.37 80.34 Favored 'General case' 0 C--N 1.384 2.071 0 C-N-CA 125.984 1.713 . . . . 0.0 112.17 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -73.54 -28.03 61.66 Favored 'General case' 0 C--N 1.375 1.707 0 C-N-CA 123.553 0.741 . . . . 0.0 112.751 177.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 15.3 mt -63.38 -45.88 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.411 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 175.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.6 -46.17 76.79 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 124.181 0.992 . . . . 0.0 112.672 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.28 -44.55 59.01 Favored 'General case' 0 C--N 1.381 1.961 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -176.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.689 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 66.0 mt -85.64 -45.71 11.45 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -175.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -64.99 -37.12 86.62 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 123.696 0.622 . . . . 0.0 112.491 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -76.94 -42.33 39.7 Favored 'General case' 0 CA--C 1.597 2.773 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -73.92 -31.58 63.14 Favored 'General case' 0 C--N 1.403 2.9 0 CA-C-N 118.411 0.551 . . . . 0.0 109.981 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 86' ' ' LEU . . . -76.68 -23.48 53.19 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 125.417 1.487 . . . . 0.0 110.921 175.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.33 80.04 Favored 'General case' 0 C--N 1.416 3.499 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -176.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -80.38 -26.76 38.4 Favored 'General case' 0 N--CA 1.508 2.468 0 C-N-CA 124.376 1.07 . . . . 0.0 111.622 175.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.49 65.19 Favored 'General case' 0 CA--C 1.57 1.738 0 C-N-CA 124.599 1.16 . . . . 0.0 112.884 173.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.6 p -59.31 -11.61 4.41 Favored 'General case' 2 C--N 1.431 4.139 0 C-N-CA 125.613 1.565 . . . . 0.0 114.907 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.15 -60.37 2.06 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 127.233 2.213 . . . . 0.0 115.751 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -73.36 -10.15 59.44 Favored 'General case' 0 N--CA 1.505 2.291 0 CA-C-O 121.69 0.757 . . . . 0.0 109.771 178.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -62.74 -29.5 70.73 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 128.546 2.738 . . . . 0.0 114.837 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -107.56 4.16 25.72 Favored 'General case' 0 C--N 1.382 2.015 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 -168.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . 0.264 8.4 mt-10 -100.16 -71.29 0.71 Allowed 'General case' 0 N--CA 1.513 2.677 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -115.36 -14.52 11.62 Favored 'General case' 0 N--CA 1.523 3.22 0 CA-C-N 120.096 1.316 . . . . 0.0 111.68 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.17 -19.16 51.62 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 129.278 3.031 . . . . 0.0 112.17 175.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -61.82 -51.89 66.39 Favored 'General case' 0 CA--C 1.58 2.106 0 C-N-CA 125.402 1.481 . . . . 0.0 113.306 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.49 -35.91 19.7 Favored Pre-proline 0 N--CA 1.507 2.386 1 N-CA-C 121.849 4.018 . . . . 0.0 121.849 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -54.39 -24.64 36.05 Favored 'Trans proline' 1 C--N 1.45 5.872 0 CA-C-N 125.781 3.1 . . . . 0.0 116.745 -177.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -136.5 -89.0 0.25 Allowed Glycine 0 C--N 1.355 1.59 0 N-CA-C 107.442 -2.263 . . . . 0.0 107.442 177.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 164.86 -49.59 0.29 Allowed Glycine 0 C--N 1.352 1.451 0 N-CA-C 108.564 -1.814 . . . . 0.0 108.564 177.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -134.12 52.94 2.03 Favored 'General case' 0 CA--C 1.573 1.83 0 CA-C-N 113.127 -1.537 . . . . 0.0 109.731 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.58 -39.97 94.69 Favored 'General case' 0 N--CA 1.526 3.347 0 C-N-CA 124.694 1.197 . . . . 0.0 112.558 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -68.76 -33.87 74.62 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.405 1.882 . . . . 0.0 111.316 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.77 78.84 Favored 'General case' 0 C--N 1.383 2.038 0 C-N-CA 125.006 1.322 . . . . 0.0 110.909 173.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.695 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 5.1 mpt_? -72.49 -45.28 60.18 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 123.549 0.74 . . . . 0.0 110.54 175.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mp -60.42 -62.68 1.69 Allowed 'General case' 0 CA--C 1.592 2.585 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.79 -47.55 9.61 Favored 'General case' 0 C--N 1.383 2.037 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -175.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -71.95 -34.45 69.01 Favored 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.695 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 3.7 m-85 -69.83 -41.05 75.46 Favored 'General case' 0 C--N 1.395 2.552 0 CA-C-N 118.832 0.742 . . . . 0.0 111.847 178.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -68.55 -38.19 80.59 Favored 'General case' 0 C--N 1.394 2.507 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -64.15 -42.91 96.6 Favored 'General case' 0 N--CA 1.521 3.093 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -69.65 -37.39 76.72 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 124.419 1.088 . . . . 0.0 112.678 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -70.23 -34.38 72.8 Favored 'General case' 0 C--N 1.378 1.831 0 C-N-CA 124.891 1.277 . . . . 0.0 112.456 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -63.72 -41.75 98.02 Favored 'General case' 0 N--CA 1.51 2.532 0 C-N-CA 125.567 1.547 . . . . 0.0 114.376 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -72.93 -39.63 66.09 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.08 -32.66 72.32 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 123.588 0.555 . . . . 0.0 110.158 174.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -34.3 74.01 Favored 'General case' 0 C--N 1.382 1.994 0 C-N-CA 125.344 1.458 . . . . 0.0 112.316 175.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.35 85.35 Favored 'General case' 0 C--N 1.401 2.811 0 C-N-CA 124.948 1.299 . . . . 0.0 112.597 -178.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.5 mtt -65.87 -38.14 88.03 Favored 'General case' 0 C--N 1.391 2.382 0 O-C-N 124.892 1.37 . . . . 0.0 111.241 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -68.64 -38.29 80.37 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 125.378 1.471 . . . . 0.0 111.157 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -72.1 -42.33 66.26 Favored 'General case' 0 C--N 1.392 2.443 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.9 -41.96 70.57 Favored 'General case' 0 N--CA 1.512 2.642 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.9 -38.06 82.51 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 124.743 1.217 . . . . 0.0 113.058 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.721 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 2.1 tt0 -75.77 -26.21 57.16 Favored 'General case' 0 C--N 1.383 2.063 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -72.07 -52.75 15.37 Favored 'General case' 0 C--O 1.275 2.399 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -178.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.09 -39.34 75.62 Favored 'General case' 0 C--N 1.391 2.38 0 CA-C-N 113.769 -1.559 . . . . 0.0 113.98 -175.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -88.78 -11.49 44.76 Favored 'General case' 0 CA--C 1.583 2.222 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 130' ' ' GLU . . . -65.65 -37.16 85.74 Favored 'General case' 0 N--CA 1.525 3.308 0 C-N-CA 124.427 1.091 . . . . 0.0 112.185 177.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -73.36 -11.4 60.47 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 125.59 1.556 . . . . 0.0 111.855 177.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -97.61 -21.49 17.02 Favored 'General case' 0 CA--C 1.584 2.287 0 C-N-CA 126.204 1.802 . . . . 0.0 108.878 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 65.29 38.72 5.71 Favored 'General case' 0 N--CA 1.534 3.732 0 C-N-CA 127.994 2.518 . . . . 0.0 111.857 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.561 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -83.54 129.19 60.98 Favored Pre-proline 0 CA--C 1.57 1.713 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.026 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.54 -8.45 8.99 Favored 'Trans proline' 1 C--N 1.426 4.64 0 C-N-CA 124.238 3.292 . . . . 0.0 112.873 171.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.546 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.4 OUTLIER -68.26 -15.21 63.48 Favored 'General case' 0 CA--C 1.576 1.96 0 C-N-CA 124.437 1.095 . . . . 0.0 113.069 178.414 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 138' ' ' ASP . 0.1 OUTLIER -75.05 -36.99 61.81 Favored 'General case' 0 N--CA 1.514 2.747 0 C-N-CA 123.932 0.893 . . . . 0.0 109.293 177.69 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.2 -37.13 69.32 Favored 'General case' 0 C--N 1.37 1.46 0 CA-C-N 114.268 -1.333 . . . . 0.0 111.62 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -71.56 -38.64 70.96 Favored 'General case' 0 CA--C 1.58 2.122 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.546 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 17.3 mt-10 -79.47 -45.97 18.37 Favored 'General case' 0 N--CA 1.509 2.482 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -176.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 149' ' ' ASP . 1.7 mp -67.83 -45.89 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 C-N-CA 126.504 1.921 . . . . 0.0 112.358 -178.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 93.5 m -61.75 -38.99 90.02 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 125.101 1.501 . . . . 0.0 110.723 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.94 97.04 Favored 'General case' 0 C--N 1.391 2.412 0 C-N-CA 123.868 0.867 . . . . 0.0 112.239 176.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.35 -29.65 59.98 Favored 'General case' 0 C--N 1.382 1.987 0 C-N-CA 124.987 1.315 . . . . 0.0 111.931 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 0.3 OUTLIER -70.89 -33.29 70.44 Favored 'General case' 0 C--N 1.389 2.323 0 C-N-CA 126.234 1.814 . . . . 0.0 112.314 179.517 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -76.13 -33.94 59.44 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 124.166 0.986 . . . . 0.0 108.945 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -71.56 -35.14 70.51 Favored 'General case' 0 C--N 1.389 2.307 0 C-N-CA 125.609 1.563 . . . . 0.0 112.48 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.75 -41.65 99.3 Favored 'General case' 0 C--N 1.38 1.904 0 C-N-CA 124.553 1.141 . . . . 0.0 109.95 174.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.5 p -77.15 -39.34 49.47 Favored 'General case' 0 CA--C 1.571 1.786 0 C-N-CA 123.951 0.9 . . . . 0.0 113.288 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -72.29 -33.68 67.61 Favored 'General case' 0 N--CA 1.516 2.837 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 89.2 m -72.4 -39.72 67.74 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 123.162 0.585 . . . . 0.0 110.537 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -60.88 -37.86 83.63 Favored 'General case' 0 C--N 1.394 2.502 0 C-N-CA 125.07 1.348 . . . . 0.0 112.757 177.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.1 m -71.88 -41.98 67.38 Favored 'General case' 0 CA--C 1.58 2.097 0 C-N-CA 125.061 1.345 . . . . 0.0 111.479 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.7 -39.22 84.4 Favored 'General case' 0 C--N 1.382 1.978 0 C-N-CA 125.898 1.679 . . . . 0.0 113.323 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 36.9 mt -68.32 -39.4 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.105 0 C-N-CA 126.033 1.733 . . . . 0.0 109.98 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.45 93.42 Favored 'General case' 0 C--N 1.39 2.365 0 C-N-CA 124.838 1.255 . . . . 0.0 113.479 176.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.79 -39.34 87.76 Favored 'General case' 0 N--CA 1.511 2.61 0 C-N-CA 125.299 1.44 . . . . 0.0 113.224 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 20.6 p -70.73 -31.63 68.54 Favored 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 124.248 1.019 . . . . 0.0 112.516 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.48 -34.3 72.22 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 125.33 1.452 . . . . 0.0 111.97 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.18 -36.04 80.93 Favored 'General case' 0 N--CA 1.51 2.567 0 C-N-CA 125.395 1.478 . . . . 0.0 112.247 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -68.91 -34.15 74.92 Favored 'General case' 0 C--N 1.376 1.734 0 C-N-CA 124.708 1.203 . . . . 0.0 110.726 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.1 mt -72.25 -31.44 65.81 Favored 'General case' 0 N--CA 1.507 2.419 0 C-N-CA 125.548 1.539 . . . . 0.0 112.08 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.74 -34.46 76.87 Favored 'General case' 0 N--CA 1.508 2.461 0 C-N-CA 126.354 1.861 . . . . 0.0 112.594 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -66.58 -37.08 84.18 Favored 'General case' 0 C--N 1.381 1.962 0 C-N-CA 127.654 2.382 . . . . 0.0 114.058 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -95.55 -1.06 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 CA-C-N 118.554 0.615 . . . . 0.0 111.662 -175.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . 0.258 0.8 OUTLIER 69.14 -8.55 0.68 Allowed 'General case' 0 C--N 1.387 2.211 0 C-N-CA 127.27 2.228 . . . . 0.0 111.35 -177.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 . . . . . 0 N--CA 1.506 2.37 0 CA-C-N 114.713 -1.131 . . . . 0.0 112.066 -177.253 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 mtt . . . . . 0 N--CA 1.499 2.017 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -114.44 131.34 56.64 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 124.261 1.025 . . . . 0.0 111.246 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -123.5 134.48 25.27 Favored Pre-proline 0 N--CA 1.498 1.971 0 C-N-CA 123.495 0.718 . . . . 0.0 111.733 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.75 -19.96 40.57 Favored 'Trans proline' 1 C--N 1.427 4.682 0 C-N-CA 123.216 2.611 . . . . 0.0 117.726 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -82.82 -33.62 27.15 Favored 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 123.822 0.849 . . . . 0.0 112.242 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.67 -35.8 52.0 Favored 'General case' 0 C--N 1.373 1.629 0 C-N-CA 125.138 1.375 . . . . 0.0 112.455 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -30.76 65.73 Favored 'General case' 0 C--N 1.381 1.966 0 C-N-CA 124.278 1.031 . . . . 0.0 110.447 178.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -67.63 -39.53 84.65 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 124.802 1.313 . . . . 0.0 111.766 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.0 m -71.39 -41.61 69.42 Favored 'General case' 0 C--N 1.386 2.153 0 C-N-CA 124.252 1.021 . . . . 0.0 110.757 176.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -44.58 83.54 Favored 'General case' 0 C--N 1.389 2.286 0 O-C-N 124.359 1.037 . . . . 0.0 112.29 173.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -65.91 -39.21 90.36 Favored 'General case' 0 C--N 1.399 2.727 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.519 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 7.4 m -69.48 -38.35 77.65 Favored 'General case' 0 C--N 1.376 1.742 0 CA-C-O 117.617 -1.182 . . . . 0.0 110.424 178.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -63.04 -29.16 70.61 Favored 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 124.039 0.936 . . . . 0.0 111.916 175.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.75 -46.05 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 C-N-CA 125.553 1.541 . . . . 0.0 111.207 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.46 -30.28 68.15 Favored 'General case' 0 N--CA 1.506 2.365 0 C-N-CA 123.379 0.672 . . . . 0.0 111.53 176.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 12' ' ' THR . . . -66.32 -39.76 89.49 Favored 'General case' 0 N--CA 1.51 2.548 0 C-N-CA 126.187 1.795 . . . . 0.0 110.574 171.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -34.46 68.11 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 124.522 1.129 . . . . 0.0 110.773 177.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -60.51 -43.55 96.95 Favored 'General case' 0 N--CA 1.503 2.191 0 C-N-CA 127.125 2.17 . . . . 0.0 111.856 178.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -78.14 -15.22 59.05 Favored 'General case' 0 N--CA 1.503 2.183 0 C-N-CA 125.124 1.37 . . . . 0.0 114.098 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -97.76 -16.42 19.88 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 125.433 1.493 . . . . 0.0 108.961 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.0 16.89 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.784 0 C-N-CA 125.977 1.711 . . . . 0.0 111.592 176.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.73 -76.58 0.29 Allowed Glycine 0 N--CA 1.497 2.719 0 CA-C-O 117.201 -1.888 . . . . 0.0 114.042 -173.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.03 -4.22 13.77 Favored 'Trans proline' 1 C--N 1.42 4.317 0 CA-C-N 121.481 2.64 . . . . 0.0 115.263 175.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mp -87.81 -6.39 58.16 Favored 'General case' 0 CA--C 1.577 1.992 0 C-N-CA 126.711 2.005 . . . . 0.0 112.605 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.36 -42.8 92.39 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 178.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 m -94.89 -33.62 12.74 Favored 'General case' 0 C--N 1.388 2.266 0 C-N-CA 123.686 0.794 . . . . 0.0 111.748 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -115.97 129.35 56.34 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 125.767 1.627 . . . . 0.0 112.3 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -88.25 121.99 31.28 Favored 'General case' 0 N--CA 1.506 2.329 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -128.09 166.7 17.94 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 125.626 1.57 . . . . 0.0 110.698 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -74.28 93.11 2.32 Favored 'General case' 0 CA--C 1.588 2.42 0 C-N-CA 124.52 1.128 . . . . 0.0 113.901 -178.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.93 120.06 37.89 Favored Pre-proline 0 C--N 1.38 1.897 0 CA-C-O 118.608 -0.71 . . . . 0.0 110.548 176.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.46 -28.45 83.67 Favored 'Trans proline' 1 C--N 1.434 5.053 0 C-N-CA 123.986 3.124 . . . . 0.0 115.889 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -108.58 25.6 11.51 Favored 'General case' 0 CA--C 1.578 2.05 0 C-N-CA 124.8 1.24 . . . . 0.0 113.203 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.19 106.29 4.33 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.76 98.05 4.86 Favored 'General case' 0 C--N 1.372 1.572 0 CA-C-O 121.97 0.891 . . . . 0.0 111.365 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -86.02 1.76 49.01 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-N 113.611 -1.631 . . . . 0.0 113.391 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -80.3 -24.59 39.88 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.594 1.158 . . . . 0.0 111.69 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -90.86 -4.19 56.77 Favored 'General case' 0 C--N 1.384 2.092 0 C-N-CA 124.858 1.263 . . . . 0.0 112.172 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -121.88 156.08 34.06 Favored 'General case' 0 C--N 1.377 1.765 0 C-N-CA 124.296 1.038 . . . . 0.0 113.268 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.4 113.59 19.01 Favored 'General case' 0 C--N 1.373 1.62 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.1 p -137.97 144.17 41.04 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.604 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -87.94 49.75 1.86 Allowed 'General case' 0 N--CA 1.508 2.46 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.75 -69.11 0.49 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 118.814 2.285 . . . . 0.0 118.814 169.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -176.08 60.5 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 119.25 1.525 . . . . 0.0 109.739 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -138.76 138.04 37.26 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 mp -68.32 -31.1 70.28 Favored 'General case' 0 N--CA 1.527 3.419 0 C-N-CA 124.257 1.023 . . . . 0.0 108.347 171.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.34 -35.02 87.36 Favored Glycine 0 C--N 1.383 3.168 0 C-N-CA 125.409 1.481 . . . . 0.0 113.866 176.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.29 -23.11 43.78 Favored 'General case' 0 C--N 1.392 2.438 0 C-N-CA 122.941 0.497 . . . . 0.0 112.243 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -81.52 -30.51 33.17 Favored 'General case' 0 C--N 1.384 2.091 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -75.66 -40.72 55.6 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 124.706 1.202 . . . . 0.0 112.463 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.79 -31.86 68.77 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 125.824 1.65 . . . . 0.0 112.87 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -80.5 -27.92 37.62 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 123.342 0.657 . . . . 0.0 109.833 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.11 -39.02 66.12 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 113.777 -1.556 . . . . 0.0 111.56 176.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -65.97 -40.3 91.13 Favored 'General case' 0 N--CA 1.509 2.477 0 C-N-CA 124.914 1.286 . . . . 0.0 111.372 175.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.12 -27.23 60.77 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 126.929 2.092 . . . . 0.0 113.668 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -30.16 41.7 Favored 'General case' 0 C--N 1.381 1.975 0 C-N-CA 123.365 0.666 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tp -71.23 -40.02 71.33 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 124.804 1.242 . . . . 0.0 110.49 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.5 p -70.96 -32.84 69.82 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 125.581 1.552 . . . . 0.0 113.992 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -75.91 -35.0 59.94 Favored 'General case' 0 N--CA 1.514 2.772 0 CA-C-N 119.306 0.957 . . . . 0.0 113.049 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.7 mt -67.31 -34.58 77.66 Favored 'General case' 0 N--CA 1.511 2.624 0 C-N-CA 125.108 1.363 . . . . 0.0 111.048 176.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -62.56 -34.75 77.57 Favored 'General case' 0 C--N 1.383 2.041 0 C-N-CA 126.893 2.077 . . . . 0.0 112.074 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.09 -40.02 90.45 Favored 'General case' 0 C--N 1.393 2.478 0 C-N-CA 123.954 0.901 . . . . 0.0 112.135 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.85 -27.87 69.46 Favored 'General case' 0 C--N 1.395 2.556 0 C-N-CA 124.731 1.213 . . . . 0.0 113.249 173.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -65.79 -39.14 83.94 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.953 0 C-N-CA 125.598 1.559 . . . . 0.0 108.954 175.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -68.03 -16.52 64.07 Favored 'General case' 0 N--CA 1.506 2.365 0 C-N-CA 126.111 1.764 . . . . 0.0 111.731 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -78.28 -39.96 38.43 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 171.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.17 27.36 4.54 Favored Glycine 0 C--N 1.38 3.017 0 N-CA-C 116.09 1.196 . . . . 0.0 116.09 170.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.74 113.9 23.85 Favored 'General case' 0 C--N 1.377 1.78 0 CA-C-N 118.22 1.01 . . . . 0.0 110.259 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.51 -29.36 65.84 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 112.758 -2.019 . . . . 0.0 112.863 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.2 m -70.61 -37.48 73.84 Favored 'General case' 0 CA--C 1.574 1.89 0 C-N-CA 124.816 1.246 . . . . 0.0 110.569 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -74.58 -20.98 59.72 Favored 'General case' 0 N--CA 1.507 2.409 0 C-N-CA 124.31 1.044 . . . . 0.0 111.876 178.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.5 t -77.42 -50.93 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 125.546 1.538 . . . . 0.0 109.869 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.42 82.16 Favored 'General case' 0 C--N 1.393 2.465 0 C-N-CA 127.545 2.338 . . . . 0.0 112.985 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.46 -42.31 99.38 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 125.564 1.546 . . . . 0.0 109.246 172.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.49 -31.68 63.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 124.424 1.077 . . . . 0.0 112.034 176.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.71 95.66 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 124.603 1.161 . . . . 0.0 111.687 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -71.6 -36.83 70.96 Favored 'General case' 0 N--CA 1.518 2.943 0 C-N-CA 126.308 1.843 . . . . 0.0 111.095 176.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -71.22 -29.31 64.97 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 125.721 1.608 . . . . 0.0 110.359 173.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -43.09 66.33 Favored 'General case' 0 C--N 1.377 1.795 0 C-N-CA 124.123 0.969 . . . . 0.0 111.606 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.51 -39.83 81.09 Favored 'General case' 0 C--N 1.389 2.299 0 C-N-CA 125.328 1.451 . . . . 0.0 112.216 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.48 83.53 Favored 'General case' 0 C--N 1.39 2.327 0 C-N-CA 126.006 1.722 . . . . 0.0 111.639 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -73.74 -27.02 60.96 Favored 'General case' 0 C--N 1.377 1.78 0 C-N-CA 124.234 1.014 . . . . 0.0 112.285 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 34.8 mt -63.1 -45.59 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.398 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.43 -44.4 83.01 Favored 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 124.872 1.269 . . . . 0.0 112.196 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.42 -44.96 57.21 Favored 'General case' 0 C--N 1.379 1.864 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.728 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 91.1 mt -85.18 -45.45 12.02 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -175.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 28.8 mt-30 -64.75 -36.52 84.58 Favored 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 118.816 0.734 . . . . 0.0 112.38 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -78.41 -39.93 37.43 Favored 'General case' 0 CA--C 1.589 2.466 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -76.92 -29.25 55.6 Favored 'General case' 0 N--CA 1.514 2.75 0 CA-C-N 119.548 1.067 . . . . 0.0 109.686 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -78.18 -22.92 47.93 Favored 'General case' 0 C--N 1.387 2.202 0 C-N-CA 125.614 1.566 . . . . 0.0 110.432 174.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -64.03 -42.34 97.12 Favored 'General case' 0 C--N 1.415 3.414 0 C-N-CA 122.99 0.516 . . . . 0.0 112.356 -178.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.8 p -75.93 -28.89 58.15 Favored 'General case' 0 C--N 1.395 2.575 0 C-N-CA 124.436 1.094 . . . . 0.0 111.175 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.0 -36.06 72.11 Favored 'General case' 0 N--CA 1.512 2.647 0 C-N-CA 124.612 1.165 . . . . 0.0 113.637 174.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.8 p -75.9 -9.73 58.84 Favored 'General case' 0 N--CA 1.525 3.309 0 C-N-CA 124.266 1.026 . . . . 0.0 112.175 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 98' ' ' HIS . 7.1 tt -95.76 -23.42 16.96 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 127.474 2.309 . . . . 0.0 108.532 176.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -79.25 37.68 0.33 Allowed 'General case' 0 C--N 1.379 1.865 0 CA-C-O 123.505 1.621 . . . . 0.0 112.391 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.429 ' H ' ' C ' ' A' ' 95' ' ' LEU . 75.7 mtt180 -107.4 12.06 28.37 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 128.214 2.605 . . . . 0.0 105.252 174.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 95' ' ' LEU 0.282 3.1 t60 -94.64 -13.16 26.14 Favored 'General case' 0 C--N 1.368 1.392 0 CA-C-N 108.829 -3.805 . . . . 0.0 107.274 178.352 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -90.48 -179.7 5.64 Favored 'General case' 0 C--N 1.377 1.786 0 CA-C-N 110.114 -3.221 . . . . 0.0 117.354 -171.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.97 -39.05 3.29 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 128.219 2.608 . . . . 0.0 108.647 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.04 -27.39 57.29 Favored 'General case' 0 CA--C 1.572 1.821 0 C-N-CA 129.062 2.945 . . . . 0.0 116.819 -176.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.26 -47.18 10.32 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 118.714 2.857 . . . . 0.0 118.714 -172.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.7 mt -74.15 -23.04 0.5 Allowed Pre-proline 0 CA--C 1.589 2.477 0 N-CA-C 118.174 2.657 . . . . 0.0 118.174 -175.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . 0.281 31.3 Cg_endo -57.23 -12.56 10.48 Favored 'Trans proline' 1 C--N 1.451 5.962 1 N-CA-C 122.795 4.114 . . . . 0.0 122.795 -174.776 . . . . . . . . 4 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -89.17 -9.65 67.14 Favored Glycine 0 CA--C 1.541 1.662 0 CA-C-N 122.029 2.195 . . . . 0.0 112.987 174.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.36 -94.85 1.45 Allowed Glycine 0 C--N 1.393 3.696 0 N-CA-C 115.399 0.919 . . . . 0.0 115.399 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -101.23 41.44 1.19 Allowed 'General case' 0 CA--C 1.561 1.403 0 O-C-N 125.238 1.199 . . . . 0.0 112.134 -178.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.8 mt -71.14 -41.49 70.38 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 124.18 0.992 . . . . 0.0 110.192 177.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -66.16 -41.72 89.98 Favored 'General case' 0 C--N 1.373 1.607 0 C-N-CA 127.982 2.513 . . . . 0.0 110.77 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.11 -35.5 78.25 Favored 'General case' 0 C--N 1.382 2.019 0 C-N-CA 125.009 1.324 . . . . 0.0 112.431 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -72.16 -48.28 44.54 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 123.479 0.712 . . . . 0.0 111.42 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.2 mp -64.53 -58.86 5.21 Favored 'General case' 0 CA--C 1.588 2.421 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.28 -43.82 63.69 Favored 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 117.264 2.32 . . . . 0.0 117.264 -177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.84 -38.23 73.2 Favored 'General case' 0 N--CA 1.512 2.629 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -68.69 -39.43 80.56 Favored 'General case' 0 C--N 1.387 2.205 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.96 -42.67 84.78 Favored 'General case' 0 N--CA 1.506 2.36 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -71.71 -43.07 66.57 Favored 'General case' 0 N--CA 1.519 3.001 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -69.17 -36.95 77.92 Favored 'General case' 0 N--CA 1.506 2.368 0 C-N-CA 124.302 1.041 . . . . 0.0 113.687 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.64 -35.35 75.15 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.52 1.128 . . . . 0.0 112.648 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -62.96 -43.77 97.89 Favored 'General case' 0 N--CA 1.513 2.721 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -72.91 -39.96 65.9 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.62 -32.81 70.76 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 123.454 0.471 . . . . 0.0 110.565 173.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.9 mt -70.95 -33.01 70.06 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 124.557 1.143 . . . . 0.0 113.075 176.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.4 -38.92 91.39 Favored 'General case' 0 C--N 1.406 3.054 0 C-N-CA 125.591 1.557 . . . . 0.0 111.825 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 62.3 mtt -63.77 -39.63 94.72 Favored 'General case' 0 C--N 1.39 2.357 0 O-C-N 125.077 1.486 . . . . 0.0 110.422 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.21 -39.35 86.29 Favored 'General case' 0 C--N 1.39 2.341 0 C-N-CA 124.772 1.229 . . . . 0.0 110.553 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -66.69 -40.69 88.61 Favored 'General case' 0 N--CA 1.517 2.914 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.33 -40.09 85.87 Favored 'General case' 0 N--CA 1.51 2.574 0 C-N-CA 124.057 0.943 . . . . 0.0 111.811 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -71.31 -29.48 65.08 Favored 'General case' 0 C--N 1.384 2.101 0 C-N-CA 124.501 1.12 . . . . 0.0 111.909 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.531 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 21.2 mt-10 -63.54 -44.93 92.79 Favored 'General case' 0 N--CA 1.507 2.411 0 C-N-CA 125.484 1.514 . . . . 0.0 113.711 177.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -74.18 -44.46 53.37 Favored 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.89 -39.88 72.54 Favored 'General case' 0 C--N 1.389 2.315 0 CA-C-N 114.258 -1.337 . . . . 0.0 114.574 -173.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -90.29 -12.08 38.89 Favored 'General case' 0 CA--C 1.582 2.176 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 130' ' ' GLU . . . -63.98 -39.76 94.87 Favored 'General case' 0 N--CA 1.52 3.052 0 C-N-CA 125.891 1.676 . . . . 0.0 113.646 175.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -83.05 -15.42 51.05 Favored 'General case' 0 N--CA 1.511 2.585 0 C-N-CA 126.402 1.881 . . . . 0.0 114.141 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -93.66 -17.35 23.34 Favored 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 125.75 1.62 . . . . 0.0 110.133 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.6 t60 61.84 82.71 0.17 Allowed 'General case' 0 C--N 1.397 2.634 0 C-N-CA 126.29 1.836 . . . . 0.0 107.107 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.17 120.35 28.29 Favored Pre-proline 0 CA--C 1.556 1.188 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -172.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.63 -10.53 29.07 Favored 'Trans proline' 1 C--N 1.426 4.644 0 C-N-CA 123.219 2.612 . . . . 0.0 110.941 167.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -62.68 -31.29 72.16 Favored 'General case' 0 C--N 1.392 2.442 0 C-N-CA 124.482 1.113 . . . . 0.0 111.282 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.55 -38.72 78.42 Favored 'General case' 0 N--CA 1.526 3.369 0 C-N-CA 126.22 1.808 . . . . 0.0 112.329 176.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.55 -39.65 67.3 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 113.093 -1.867 . . . . 0.0 110.765 -176.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -72.76 -39.93 66.42 Favored 'General case' 0 CA--C 1.581 2.141 0 C-N-CA 123.671 0.788 . . . . 0.0 112.924 175.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -77.94 -47.09 19.41 Favored 'General case' 0 N--CA 1.513 2.683 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 50.1 mt -69.43 -39.33 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.695 0 C-N-CA 124.855 1.262 . . . . 0.0 110.252 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 99.6 m -63.45 -39.59 94.89 Favored 'General case' 0 N--CA 1.508 2.464 0 C-N-CA 124.21 1.004 . . . . 0.0 110.675 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.57 95.77 Favored 'General case' 0 N--CA 1.51 2.54 0 C-N-CA 124.619 1.167 . . . . 0.0 112.62 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.93 -26.41 56.87 Favored 'General case' 0 C--N 1.38 1.905 0 C-N-CA 124.673 1.189 . . . . 0.0 111.7 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -32.81 73.78 Favored 'General case' 0 C--N 1.39 2.331 0 C-N-CA 126.431 1.892 . . . . 0.0 111.512 177.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -76.59 -35.87 57.87 Favored 'General case' 0 C--N 1.393 2.465 0 C-N-CA 124.771 1.229 . . . . 0.0 109.322 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -71.68 -32.8 68.25 Favored 'General case' 0 C--N 1.387 2.231 0 C-N-CA 125.433 1.493 . . . . 0.0 112.703 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -39.3 90.35 Favored 'General case' 0 C--N 1.383 2.053 0 C-N-CA 124.782 1.233 . . . . 0.0 109.554 174.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.6 p -77.3 -36.73 53.88 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 123.619 0.767 . . . . 0.0 112.833 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -73.99 -30.35 62.43 Favored 'General case' 0 N--CA 1.518 2.957 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.32 -37.93 68.8 Favored 'General case' 0 C--N 1.386 2.18 0 C-N-CA 123.931 0.893 . . . . 0.0 108.91 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -60.26 -39.34 86.44 Favored 'General case' 0 C--N 1.389 2.323 0 C-N-CA 125.926 1.691 . . . . 0.0 113.949 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 33.0 m -64.36 -39.22 93.46 Favored 'General case' 0 C--N 1.384 2.091 0 C-N-CA 126.056 1.742 . . . . 0.0 109.551 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.23 -37.87 78.24 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 125.651 1.58 . . . . 0.0 111.924 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 39.2 mt -69.26 -45.25 79.64 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.983 0 C-N-CA 125.945 1.698 . . . . 0.0 109.788 175.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.99 94.01 Favored 'General case' 0 C--N 1.394 2.523 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 176.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.05 -38.52 82.56 Favored 'General case' 0 N--CA 1.516 2.837 0 C-N-CA 124.804 1.242 . . . . 0.0 113.723 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.2 p -70.61 -31.38 68.34 Favored 'General case' 0 N--CA 1.512 2.644 0 C-N-CA 124.373 1.069 . . . . 0.0 112.353 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.29 -35.82 76.42 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 125.224 1.41 . . . . 0.0 111.771 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.25 -35.37 79.39 Favored 'General case' 0 N--CA 1.513 2.696 0 C-N-CA 125.462 1.505 . . . . 0.0 112.629 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.03 -32.21 71.57 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 124.856 1.262 . . . . 0.0 111.002 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.4 mt -76.89 -27.51 55.02 Favored 'General case' 0 C--N 1.382 1.99 0 C-N-CA 125.777 1.631 . . . . 0.0 111.961 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -70.42 -44.1 68.61 Favored 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 116.445 2.017 . . . . 0.0 116.445 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -92.53 -68.03 0.82 Allowed 'General case' 0 C--N 1.386 2.172 0 CA-C-N 118.832 0.742 . . . . 0.0 112.276 -175.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . 0.374 0.1 OUTLIER 78.55 -23.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.39 2.363 0 C-N-CA 125.695 1.598 . . . . 0.0 113.168 174.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 13.6 t -89.69 -15.57 32.31 Favored 'General case' 0 CA--C 1.574 1.871 0 C-N-CA 125.002 1.321 . . . . 0.0 109.855 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 . . . . . 0 N--CA 1.498 1.973 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.388 179.215 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo . . . . . 0 N--CA 1.522 3.172 0 N-CA-C 114.367 0.872 . . . . 0.0 114.367 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.0 -46.65 5.53 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 123.361 0.664 . . . . 0.0 112.184 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.0 -36.65 56.25 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 125.027 1.331 . . . . 0.0 112.432 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.27 -32.44 70.26 Favored 'General case' 0 C--N 1.378 1.836 0 C-N-CA 124.405 1.082 . . . . 0.0 111.179 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -69.0 -37.43 78.7 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 124.511 1.132 . . . . 0.0 111.507 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -72.23 -40.91 67.4 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 124.286 1.034 . . . . 0.0 110.949 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mt -58.76 -43.69 90.41 Favored 'General case' 0 C--N 1.388 2.282 0 O-C-N 124.294 0.997 . . . . 0.0 112.346 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -65.67 -39.55 91.44 Favored 'General case' 0 C--N 1.4 2.775 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -69.77 -37.29 76.34 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.991 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -61.98 -32.1 72.53 Favored 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 124.462 1.105 . . . . 0.0 111.769 175.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.4 t -75.31 -46.06 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 C-N-CA 125.336 1.455 . . . . 0.0 110.994 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.05 69.43 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 123.564 0.746 . . . . 0.0 111.54 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.62 93.19 Favored 'General case' 0 N--CA 1.514 2.733 0 C-N-CA 125.715 1.606 . . . . 0.0 110.998 171.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 mt -72.42 -37.21 68.68 Favored 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 124.336 1.055 . . . . 0.0 110.9 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -60.43 -40.64 91.79 Favored 'General case' 0 N--CA 1.5 2.071 0 C-N-CA 126.922 2.089 . . . . 0.0 112.232 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.18 -29.13 63.7 Favored 'General case' 0 N--CA 1.507 2.419 0 C-N-CA 123.455 0.702 . . . . 0.0 112.786 177.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mp -81.12 -18.32 46.85 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 125.897 1.679 . . . . 0.0 112.446 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.0 mt -114.74 15.24 8.07 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.476 0 C-N-CA 128.169 2.588 . . . . 0.0 107.818 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.0 -98.56 0.45 Allowed Glycine 0 C--N 1.361 1.925 0 CA-C-O 116.537 -2.257 . . . . 0.0 114.834 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -50.6 -14.24 1.09 Allowed 'Trans proline' 1 C--N 1.424 4.541 0 C-N-CA 124.434 3.423 . . . . 0.0 117.486 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mp -70.04 -37.52 75.6 Favored 'General case' 0 C--N 1.383 2.044 0 C-N-CA 124.755 1.222 . . . . 0.0 113.189 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.393 2.475 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -179.478 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 122.397 1.094 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -83.8 -2.46 56.39 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 112.94 -1.937 . . . . 0.0 113.788 -177.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -80.09 -30.97 39.31 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.587 0.755 . . . . 0.0 110.641 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -101.88 -2.26 30.29 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 123.992 0.917 . . . . 0.0 112.46 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.31 151.83 36.94 Favored 'General case' 0 C--N 1.382 1.997 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.49 106.7 10.38 Favored 'General case' 0 C--N 1.381 1.971 0 N-CA-C 106.301 -1.741 . . . . 0.0 106.301 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 0.1 OUTLIER 166.56 175.65 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 127.013 2.125 . . . . 0.0 108.296 -178.539 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -85.91 -41.17 15.17 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.41 81.27 0.09 OUTLIER Glycine 0 N--CA 1.509 3.56 0 N-CA-C 119.323 2.489 . . . . 0.0 119.323 172.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.35 17.84 1.53 Allowed 'General case' 0 C--N 1.372 1.544 0 CA-C-N 119.725 1.763 . . . . 0.0 106.774 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.593 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 75.5 ttt180 -157.37 153.84 27.95 Favored 'General case' 0 C--N 1.387 2.199 0 C-N-CA 126.365 1.866 . . . . 0.0 110.799 -174.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.18 -21.92 64.85 Favored 'General case' 0 N--CA 1.524 3.229 0 C-N-CA 123.894 0.878 . . . . 0.0 110.924 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.593 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -60.24 -40.44 97.35 Favored Glycine 0 C--N 1.382 3.116 0 N-CA-C 115.947 1.139 . . . . 0.0 115.947 -178.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.481 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 17.9 m-20 -77.83 -27.82 50.07 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 123.605 0.762 . . . . 0.0 112.962 -176.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -83.38 -28.1 29.16 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 114.718 -1.128 . . . . 0.0 110.231 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.4 HD22 HH22 ' A' ' 156' ' ' ARG . 3.6 mt -74.14 -36.45 64.13 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 124.962 1.305 . . . . 0.0 111.832 176.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -30.27 66.8 Favored 'General case' 0 C--N 1.371 1.543 0 C-N-CA 125.732 1.613 . . . . 0.0 111.322 176.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -81.61 -31.59 32.41 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 123.432 0.693 . . . . 0.0 109.796 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.36 -38.45 65.71 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 113.787 -1.551 . . . . 0.0 111.952 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -39.03 82.31 Favored 'General case' 0 CA--C 1.573 1.857 0 C-N-CA 124.447 1.099 . . . . 0.0 109.918 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.75 -27.17 61.87 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.903 1.681 . . . . 0.0 113.562 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.91 -31.66 40.18 Favored 'General case' 0 C--N 1.382 2.006 0 C-N-CA 123.946 0.898 . . . . 0.0 110.186 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.4 tp -71.35 -41.25 70.01 Favored 'General case' 0 C--N 1.382 2.002 0 C-N-CA 125.076 1.35 . . . . 0.0 110.065 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.4 p -71.95 -29.55 64.38 Favored 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 125.717 1.607 . . . . 0.0 113.593 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -76.87 -37.72 55.01 Favored 'General case' 0 N--CA 1.508 2.434 0 C-N-CA 123.603 0.761 . . . . 0.0 112.722 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.81 -31.96 68.88 Favored 'General case' 0 C--N 1.389 2.319 0 C-N-CA 124.753 1.221 . . . . 0.0 111.193 177.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -33.92 76.91 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 126.745 2.018 . . . . 0.0 111.785 176.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.35 -39.63 89.31 Favored 'General case' 0 C--N 1.393 2.49 0 O-C-N 124.025 0.828 . . . . 0.0 111.385 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.9 -28.01 68.62 Favored 'General case' 0 C--N 1.393 2.493 0 C-N-CA 125.093 1.357 . . . . 0.0 113.013 173.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.94 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.382 1.994 0 C-N-CA 125.564 1.546 . . . . 0.0 108.31 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -68.36 -13.47 62.3 Favored 'General case' 0 N--CA 1.507 2.385 0 C-N-CA 126.417 1.887 . . . . 0.0 112.308 174.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -81.12 -38.82 26.61 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 171.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.81 31.11 2.59 Favored Glycine 0 C--N 1.378 2.889 0 N-CA-C 116.355 1.302 . . . . 0.0 116.355 171.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.3 111.58 23.33 Favored 'General case' 0 C--N 1.376 1.719 0 CA-C-O 121.779 0.8 . . . . 0.0 109.562 178.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.68 -24.96 61.92 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.496 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.5 m -71.26 -37.67 71.91 Favored 'General case' 0 CA--C 1.571 1.77 0 C-N-CA 125.136 1.374 . . . . 0.0 110.4 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.71 -22.25 58.94 Favored 'General case' 0 C--N 1.391 2.381 0 C-N-CA 124.456 1.102 . . . . 0.0 111.998 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.3 t -75.81 -49.4 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 C-N-CA 126.215 1.806 . . . . 0.0 109.663 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.38 81.31 Favored 'General case' 0 C--N 1.384 2.097 0 C-N-CA 127.194 2.197 . . . . 0.0 112.718 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -64.14 -42.61 96.72 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 125.892 1.677 . . . . 0.0 109.924 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.44 -33.53 67.13 Favored 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 124.665 1.186 . . . . 0.0 110.711 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.04 94.61 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 124.489 1.116 . . . . 0.0 111.84 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.03 -38.08 72.58 Favored 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 126.202 1.801 . . . . 0.0 111.231 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.36 -29.45 64.98 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 125.366 1.466 . . . . 0.0 110.556 174.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.61 -42.14 64.81 Favored 'General case' 0 C--N 1.374 1.673 0 C-N-CA 123.942 0.897 . . . . 0.0 112.104 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.439 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.76 -40.17 79.9 Favored 'General case' 0 C--N 1.39 2.327 0 C-N-CA 125.205 1.402 . . . . 0.0 112.657 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.05 -37.94 84.94 Favored 'General case' 0 C--N 1.389 2.288 0 C-N-CA 126.085 1.754 . . . . 0.0 112.062 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -73.35 -27.29 61.42 Favored 'General case' 0 C--N 1.376 1.746 0 C-N-CA 124.229 1.011 . . . . 0.0 112.31 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 80' ' ' ALA . 26.5 mt -61.9 -46.17 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.454 0 C-N-CA 123.167 0.587 . . . . 0.0 109.88 174.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.5 mt-10 -66.56 -43.57 84.65 Favored 'General case' 0 N--CA 1.503 2.215 0 C-N-CA 124.884 1.274 . . . . 0.0 112.032 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.29 -44.48 59.11 Favored 'General case' 0 C--N 1.377 1.778 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 mp -85.93 -44.71 12.16 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 115.786 1.772 . . . . 0.0 115.786 -175.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 30.6 mt-30 -66.13 -39.07 89.6 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 123.905 0.753 . . . . 0.0 112.407 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.6 mtt180 -78.72 -39.57 36.04 Favored 'General case' 0 C--N 1.388 2.269 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.73 -31.71 65.17 Favored 'General case' 0 N--CA 1.513 2.709 0 CA-C-N 119.467 1.03 . . . . 0.0 110.511 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.17 -29.14 61.63 Favored 'General case' 0 C--N 1.388 2.255 0 C-N-CA 124.271 1.029 . . . . 0.0 109.926 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.34 -35.78 73.81 Favored 'General case' 0 C--N 1.41 3.205 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.4 p -85.02 -22.41 29.05 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 123.96 0.904 . . . . 0.0 110.602 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.98 -26.77 57.07 Favored 'General case' 0 C--N 1.387 2.234 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.723 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.14 -8.92 58.1 Favored 'General case' 0 C--N 1.392 2.454 0 C-N-CA 125.57 1.548 . . . . 0.0 113.126 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 N--CA 1.498 1.925 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 179.13 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 . . . . . 0 N--CA 1.504 2.241 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 79.7 mt -70.78 -32.91 70.18 Favored 'General case' 0 N--CA 1.509 2.496 0 C-N-CA 125.066 1.346 . . . . 0.0 111.069 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -69.97 -31.69 69.53 Favored 'General case' 0 C--N 1.376 1.755 0 C-N-CA 125.507 1.523 . . . . 0.0 110.0 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.07 89.1 Favored 'General case' 0 C--N 1.393 2.474 0 C-N-CA 125.568 1.547 . . . . 0.0 110.904 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -71.37 -50.02 36.39 Favored 'General case' 0 C--N 1.384 2.071 0 C-N-CA 124.463 1.105 . . . . 0.0 111.045 176.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.68 -60.94 3.04 Favored 'General case' 0 CA--C 1.593 2.621 0 O-C-N 124.518 1.136 . . . . 0.0 113.201 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -86.2 -52.03 5.91 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -175.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.21 -35.82 74.15 Favored 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -81.79 -22.09 37.35 Favored 'General case' 0 C--N 1.385 2.131 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -71.97 -25.84 62.02 Favored 'General case' 0 C--N 1.395 2.567 0 CA-C-N 118.196 0.453 . . . . 0.0 110.826 172.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -70.12 -42.46 72.61 Favored 'General case' 0 N--CA 1.512 2.65 0 C-N-CA 125.007 1.323 . . . . 0.0 112.139 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -68.04 -35.7 78.7 Favored 'General case' 0 C--N 1.391 2.382 0 C-N-CA 124.776 1.231 . . . . 0.0 112.73 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.34 -32.82 72.15 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 124.962 1.305 . . . . 0.0 111.692 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -64.49 -42.0 96.13 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 125.74 1.616 . . . . 0.0 112.781 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -72.58 -40.92 66.23 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.02 -33.18 72.88 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 118.039 0.381 . . . . 0.0 110.135 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.25 -32.23 68.49 Favored 'General case' 0 C--N 1.379 1.872 0 C-N-CA 125.101 1.36 . . . . 0.0 112.664 175.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.68 -37.24 79.42 Favored 'General case' 0 C--N 1.403 2.91 0 C-N-CA 125.123 1.369 . . . . 0.0 111.654 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.4 mtt -65.03 -38.34 90.57 Favored 'General case' 0 C--N 1.393 2.482 0 C-N-CA 125.399 1.48 . . . . 0.0 110.477 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -69.25 -38.98 78.73 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 124.998 1.319 . . . . 0.0 110.673 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -74.15 -46.6 41.32 Favored 'General case' 0 N--CA 1.51 2.556 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.17 -40.78 77.94 Favored 'General case' 0 N--CA 1.514 2.728 0 C-N-CA 124.548 1.139 . . . . 0.0 113.341 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.71 -34.72 76.13 Favored 'General case' 0 C--N 1.383 2.056 0 C-N-CA 124.265 1.026 . . . . 0.0 111.713 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 27.2 tt0 -70.9 -29.93 66.13 Favored 'General case' 0 C--N 1.384 2.089 0 CA-C-O 117.772 -1.109 . . . . 0.0 113.264 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -71.02 -49.43 45.14 Favored 'General case' 0 N--CA 1.51 2.574 0 CA-C-N 119.361 0.982 . . . . 0.0 113.592 -177.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -75.63 -32.98 60.45 Favored 'General case' 0 C--N 1.389 2.304 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.419 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.558 ' HB3' HD22 ' A' ' 141' ' ' LEU . 64.7 m-85 -88.14 -12.33 44.34 Favored 'General case' 0 CA--C 1.576 1.976 0 C-N-CA 124.318 1.047 . . . . 0.0 112.678 178.176 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -62.67 -33.76 75.71 Favored 'General case' 0 N--CA 1.522 3.171 0 C-N-CA 125.639 1.575 . . . . 0.0 110.504 174.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.25 -16.34 64.23 Favored 'General case' 0 N--CA 1.503 2.177 0 C-N-CA 125.618 1.567 . . . . 0.0 114.03 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -97.16 -28.98 13.86 Favored 'General case' 0 C--N 1.391 2.37 0 C-N-CA 124.401 1.08 . . . . 0.0 110.255 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 51.08 28.17 3.79 Favored 'General case' 0 N--CA 1.527 3.387 0 C-N-CA 128.392 2.677 . . . . 0.0 116.622 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.38 146.48 37.86 Favored Pre-proline 0 CA--C 1.584 2.274 0 CA-C-O 118.592 -0.718 . . . . 0.0 112.267 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -59.14 -11.29 12.41 Favored 'Trans proline' 1 C--N 1.427 4.68 0 C-N-CA 124.448 3.432 . . . . 0.0 118.081 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -70.29 -31.2 68.44 Favored 'General case' 0 N--CA 1.53 3.54 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -174.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 133' ' ' TYR . 0.0 OUTLIER -77.65 -29.96 51.91 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 126.364 1.866 . . . . 0.0 110.347 -179.297 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.12 -33.12 71.43 Favored 'General case' 0 C--N 1.391 2.402 0 C-N-CA 124.933 1.293 . . . . 0.0 109.813 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -71.49 -34.11 69.85 Favored 'General case' 0 CA--C 1.58 2.108 0 C-N-CA 123.733 0.813 . . . . 0.0 110.802 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.49 -43.79 65.9 Favored 'General case' 0 N--CA 1.516 2.871 0 C-N-CA 125.386 1.474 . . . . 0.0 114.72 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 141' ' ' LEU . 3.7 mt -69.14 -41.79 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.263 0 C-N-CA 125.238 1.415 . . . . 0.0 109.872 178.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.8 m -61.53 -39.85 92.54 Favored 'General case' 0 CA--C 1.587 2.375 0 C-N-CA 125.854 1.662 . . . . 0.0 111.405 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.18 94.69 Favored 'General case' 0 N--CA 1.51 2.573 0 C-N-CA 124.892 1.277 . . . . 0.0 112.693 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.4 mt -73.47 -28.6 62.02 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 125.049 1.34 . . . . 0.0 111.485 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -35.45 79.12 Favored 'General case' 0 C--N 1.389 2.314 0 C-N-CA 126.076 1.75 . . . . 0.0 112.548 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -75.78 -35.59 60.05 Favored 'General case' 0 C--N 1.387 2.205 0 C-N-CA 125.441 1.497 . . . . 0.0 110.369 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -71.12 -35.03 71.62 Favored 'General case' 0 C--N 1.386 2.177 0 C-N-CA 125.188 1.395 . . . . 0.0 112.713 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.16 -40.38 97.4 Favored 'General case' 0 C--N 1.381 1.964 0 C-N-CA 124.425 1.09 . . . . 0.0 109.962 174.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.73 -40.93 39.52 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 178.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -71.09 -37.59 72.41 Favored 'General case' 0 N--CA 1.511 2.591 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 98.5 m -73.29 -39.18 65.54 Favored 'General case' 0 C--N 1.375 1.709 0 C-N-CA 123.483 0.713 . . . . 0.0 112.443 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ARG . . . . . 0.4 HH22 HD22 ' A' ' 50' ' ' LEU . 1.6 tmt_? -70.74 -39.75 73.15 Favored 'General case' 0 CA--C 1.581 2.152 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.7 m -71.67 -44.41 64.32 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 124.777 1.231 . . . . 0.0 112.863 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.41 87.39 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 125.162 1.385 . . . . 0.0 113.459 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 21.9 mt -71.8 -38.62 66.21 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.115 0 C-N-CA 125.268 1.427 . . . . 0.0 111.319 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.6 95.02 Favored 'General case' 0 C--N 1.39 2.335 0 C-N-CA 124.24 1.016 . . . . 0.0 113.408 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.3 -40.24 89.88 Favored 'General case' 0 N--CA 1.512 2.642 0 C-N-CA 125.103 1.361 . . . . 0.0 112.692 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.6 p -71.13 -31.19 67.44 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 124.184 0.994 . . . . 0.0 112.225 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -72.99 -31.37 64.47 Favored 'General case' 0 C--N 1.383 2.048 0 C-N-CA 124.828 1.251 . . . . 0.0 112.197 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.84 -39.18 83.89 Favored 'General case' 0 N--CA 1.513 2.696 0 C-N-CA 124.987 1.315 . . . . 0.0 112.946 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.39 -33.85 71.88 Favored 'General case' 0 C--N 1.377 1.776 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.577 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.1 mt -70.75 -29.29 65.5 Favored 'General case' 0 N--CA 1.505 2.288 0 C-N-CA 125.217 1.407 . . . . 0.0 111.686 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.64 -27.17 61.96 Favored 'General case' 0 C--N 1.38 1.929 0 C-N-CA 125.21 1.404 . . . . 0.0 112.701 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.38 1.934 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -177.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo . . . . . 0 N--CA 1.524 3.311 0 N-CA-C 117.215 1.967 . . . . 0.0 117.215 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.64 -35.57 65.31 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 124.147 0.979 . . . . 0.0 112.222 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.36 -35.04 58.9 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 125.748 1.619 . . . . 0.0 112.435 178.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.38 -31.37 65.51 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 123.892 0.877 . . . . 0.0 110.048 177.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -66.09 -38.29 87.9 Favored 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 124.956 1.303 . . . . 0.0 111.829 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.4 m -71.99 -40.9 68.23 Favored 'General case' 0 C--N 1.382 1.98 0 C-N-CA 124.472 1.109 . . . . 0.0 110.634 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mt -58.79 -43.31 90.46 Favored 'General case' 0 C--N 1.386 2.187 0 O-C-N 124.372 1.045 . . . . 0.0 112.412 173.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -66.0 -39.58 90.41 Favored 'General case' 0 C--N 1.399 2.741 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -69.97 -35.76 74.68 Favored 'General case' 0 C--N 1.38 1.917 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.567 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.31 -32.73 73.52 Favored 'General case' 0 N--CA 1.506 2.371 0 C-N-CA 124.375 1.07 . . . . 0.0 111.413 174.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.3 t -73.86 -44.81 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.379 0 C-N-CA 125.566 1.546 . . . . 0.0 110.691 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' HB1' HD21 ' A' ' 86' ' ' LEU . . . -69.19 -30.04 68.15 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 123.485 0.714 . . . . 0.0 111.337 175.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.86 93.3 Favored 'General case' 0 N--CA 1.514 2.747 0 C-N-CA 126.048 1.739 . . . . 0.0 110.446 172.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -36.15 72.07 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 125.23 1.412 . . . . 0.0 110.511 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -59.77 -43.45 94.34 Favored 'General case' 0 N--CA 1.501 2.125 0 C-N-CA 127.354 2.262 . . . . 0.0 111.948 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.95 -15.0 59.34 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 124.87 1.268 . . . . 0.0 114.31 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.76 -17.27 19.48 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 124.777 1.231 . . . . 0.0 109.228 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.55 14.91 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 127.162 2.185 . . . . 0.0 110.855 176.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.4 -77.44 0.32 Allowed Glycine 0 C--N 1.363 2.075 0 CA-C-O 116.628 -2.207 . . . . 0.0 114.458 -172.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -68.51 -2.57 9.45 Favored 'Trans proline' 0 C--N 1.411 3.859 0 CA-C-N 122.426 3.113 . . . . 0.0 115.739 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -9.32 51.55 Favored 'General case' 0 N--CA 1.507 2.386 0 C-N-CA 126.361 1.864 . . . . 0.0 112.046 178.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.181 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 178.488 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 122.142 0.972 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -83.45 6.27 20.78 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-N 113.552 -1.658 . . . . 0.0 114.235 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -79.7 -27.17 40.73 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.034 0.933 . . . . 0.0 110.741 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mt -95.28 -5.44 43.63 Favored 'General case' 0 C--N 1.389 2.292 0 O-C-N 123.897 0.748 . . . . 0.0 112.834 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.13 152.52 35.47 Favored 'General case' 0 C--N 1.383 2.032 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.41 105.77 9.69 Favored 'General case' 0 C--N 1.386 2.156 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.6 173.85 0.67 Allowed 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 113.143 -1.844 . . . . 0.0 109.768 -178.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -87.96 -41.17 13.33 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.73 80.05 0.1 OUTLIER Glycine 0 N--CA 1.506 3.305 0 N-CA-C 119.632 2.613 . . . . 0.0 119.632 170.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.89 20.69 2.85 Favored 'General case' 0 C--N 1.371 1.507 0 CA-C-N 119.598 1.699 . . . . 0.0 106.781 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.561 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 72.6 ttt180 -153.35 147.85 26.07 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.862 1.665 . . . . 0.0 110.519 -176.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -23.28 62.56 Favored 'General case' 0 N--CA 1.524 3.265 0 C-N-CA 123.843 0.857 . . . . 0.0 110.69 173.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.561 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -60.58 -40.57 98.03 Favored Glycine 0 C--N 1.38 2.98 0 C-N-CA 124.832 1.206 . . . . 0.0 115.933 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.65 -25.86 57.2 Favored 'General case' 0 N--CA 1.514 2.759 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -83.61 -30.03 27.26 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.083 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -74.45 -40.21 62.06 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 125.163 1.385 . . . . 0.0 112.547 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -30.85 70.2 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.309 1.444 . . . . 0.0 111.24 176.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -77.54 -30.05 52.59 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 123.413 0.685 . . . . 0.0 110.064 177.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.27 -39.43 68.38 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 114.014 -1.448 . . . . 0.0 111.777 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -65.75 -39.86 91.52 Favored 'General case' 0 N--CA 1.507 2.404 0 C-N-CA 125.064 1.346 . . . . 0.0 110.871 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.54 -26.06 61.61 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 126.884 2.074 . . . . 0.0 113.445 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.9 m -78.47 -31.59 47.96 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 123.558 0.743 . . . . 0.0 110.414 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.0 tp -71.47 -41.14 69.72 Favored 'General case' 0 C--N 1.384 2.089 0 C-N-CA 125.126 1.37 . . . . 0.0 110.447 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.9 p -71.79 -31.07 66.22 Favored 'General case' 0 N--CA 1.504 2.256 0 C-N-CA 125.632 1.573 . . . . 0.0 113.487 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -75.97 -37.03 59.03 Favored 'General case' 0 N--CA 1.51 2.534 0 C-N-CA 123.751 0.82 . . . . 0.0 113.107 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.87 -29.98 66.23 Favored 'General case' 0 C--N 1.387 2.216 0 C-N-CA 124.567 1.147 . . . . 0.0 111.343 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.5 -35.3 80.02 Favored 'General case' 0 N--CA 1.506 2.37 0 C-N-CA 126.7 2.0 . . . . 0.0 111.752 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.63 -40.07 92.14 Favored 'General case' 0 C--N 1.393 2.457 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.202 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.57 -27.44 68.96 Favored 'General case' 0 C--N 1.397 2.668 0 C-N-CA 125.039 1.335 . . . . 0.0 113.586 173.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.21 -39.22 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.785 0 C-N-CA 125.413 1.485 . . . . 0.0 108.913 175.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -70.66 -10.41 59.31 Favored 'General case' 0 N--CA 1.504 2.253 0 C-N-CA 125.58 1.552 . . . . 0.0 112.146 174.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -92.73 -8.85 42.66 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 125.485 1.514 . . . . 0.0 111.829 176.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.21 35.35 18.12 Favored Glycine 0 C--N 1.376 2.788 0 N-CA-C 117.511 1.764 . . . . 0.0 117.511 178.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.0 96.04 6.76 Favored 'General case' 0 C--N 1.371 1.502 0 CA-C-O 122.244 1.021 . . . . 0.0 108.532 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.39 -22.47 61.12 Favored 'General case' 0 N--CA 1.505 2.3 0 CA-C-N 113.201 -1.818 . . . . 0.0 112.303 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.3 m -70.4 -36.4 74.05 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 125.32 1.448 . . . . 0.0 109.776 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.84 -20.68 59.65 Favored 'General case' 0 C--N 1.392 2.432 0 C-N-CA 124.01 0.924 . . . . 0.0 111.655 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.7 t -75.06 -51.15 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 126.215 1.806 . . . . 0.0 109.794 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.67 80.77 Favored 'General case' 0 C--N 1.38 1.901 0 C-N-CA 126.833 2.053 . . . . 0.0 113.004 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -42.25 96.69 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 125.991 1.717 . . . . 0.0 110.633 174.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -37.65 64.31 Favored 'General case' 0 CA--C 1.571 1.76 0 O-C-N 124.504 1.128 . . . . 0.0 110.394 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.05 98.38 Favored 'General case' 0 N--CA 1.517 2.922 0 C-N-CA 124.107 0.963 . . . . 0.0 112.679 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.14 -38.26 69.27 Favored 'General case' 0 N--CA 1.514 2.756 0 C-N-CA 125.658 1.583 . . . . 0.0 111.713 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.29 -29.82 64.23 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 125.373 1.469 . . . . 0.0 111.367 175.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -70.87 -47.99 56.23 Favored 'General case' 0 C--N 1.37 1.482 0 CA-C-O 117.738 -1.125 . . . . 0.0 112.921 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' ' 83' ' ' ILE . . . -69.48 -35.74 75.88 Favored 'General case' 0 C--N 1.384 2.082 0 C-N-CA 124.492 1.117 . . . . 0.0 112.876 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.66 86.8 Favored 'General case' 0 C--N 1.387 2.199 0 C-N-CA 125.151 1.38 . . . . 0.0 110.836 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -74.48 -27.58 60.64 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 124.154 0.982 . . . . 0.0 112.646 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -63.2 -42.79 97.78 Favored 'Isoleucine or valine' 0 C--N 1.39 2.348 0 CA-C-N 118.516 0.598 . . . . 0.0 110.567 177.347 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 3.2 mt-10 -68.34 -44.35 75.49 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 125.648 1.579 . . . . 0.0 111.998 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.3 54.49 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -176.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.454 HD21 ' HB1' ' A' ' 15' ' ' ALA . 65.2 mt -86.16 -45.27 11.5 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 -175.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 36.9 mt-30 -65.72 -39.03 90.75 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 123.774 0.671 . . . . 0.0 111.803 178.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.6 mtt180 -78.16 -39.0 42.3 Favored 'General case' 0 C--N 1.389 2.295 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.79 -33.07 68.28 Favored 'General case' 0 N--CA 1.517 2.92 0 CA-C-N 119.829 1.195 . . . . 0.0 110.463 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.16 -30.19 62.14 Favored 'General case' 0 C--N 1.386 2.16 0 C-N-CA 124.179 0.992 . . . . 0.0 110.354 175.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.48 -34.68 76.35 Favored 'General case' 0 C--N 1.409 3.161 0 C-N-CA 124.607 1.163 . . . . 0.0 113.79 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.0 p -84.18 -21.47 31.28 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.241 1.017 . . . . 0.0 110.484 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.98 -28.2 60.46 Favored 'General case' 0 C--N 1.389 2.299 0 CA-C-N 114.293 -1.321 . . . . 0.0 112.24 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.93 -8.23 58.69 Favored 'General case' 0 C--N 1.395 2.584 0 C-N-CA 124.871 1.268 . . . . 0.0 111.934 177.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.497 1.904 0 C-N-CA 124.948 1.299 . . . . 0.0 114.467 -178.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 119.642 -0.218 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.31 -40.69 67.3 Favored 'General case' 0 C--N 1.379 1.89 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -69.29 -33.43 73.18 Favored 'General case' 0 C--N 1.383 2.058 0 C-N-CA 124.363 1.065 . . . . 0.0 111.543 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.2 -36.71 83.77 Favored 'General case' 0 C--N 1.386 2.177 0 C-N-CA 125.485 1.514 . . . . 0.0 110.862 173.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.566 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 1.8 mpt_? -74.83 -49.61 20.04 Favored 'General case' 0 C--N 1.373 1.629 0 C-N-CA 123.852 0.861 . . . . 0.0 111.424 176.02 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.76 -60.86 2.76 Favored 'General case' 0 CA--C 1.6 2.901 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.16 -42.57 23.19 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 116.917 2.192 . . . . 0.0 116.917 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.51 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 39.6 mt-10 -72.5 -31.68 65.56 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.566 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 2.4 m-85 -68.31 -38.13 81.29 Favored 'General case' 0 C--N 1.39 2.351 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.057 176.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.84 -38.02 82.65 Favored 'General case' 0 C--N 1.391 2.389 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.44 -42.43 78.85 Favored 'General case' 0 N--CA 1.52 3.061 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -72.01 -34.12 68.6 Favored 'General case' 0 N--CA 1.504 2.268 0 C-N-CA 124.106 0.962 . . . . 0.0 112.556 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 34.2 mt-10 -76.7 -18.92 58.24 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 124.392 1.077 . . . . 0.0 111.911 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -70.25 -50.69 37.18 Favored 'General case' 0 C--N 1.389 2.297 0 C-N-CA 125.256 1.422 . . . . 0.0 112.78 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -72.26 -38.5 68.84 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 152' ' ' LEU . 14.9 mt -60.5 -33.39 72.55 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 123.537 0.523 . . . . 0.0 110.523 174.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -71.23 -33.5 69.92 Favored 'General case' 0 C--N 1.381 1.966 0 C-N-CA 124.684 1.194 . . . . 0.0 111.932 176.172 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.92 -39.47 90.59 Favored 'General case' 0 C--N 1.41 3.196 0 C-N-CA 125.657 1.583 . . . . 0.0 112.369 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.7 mtt -63.46 -40.15 96.37 Favored 'General case' 0 C--N 1.392 2.429 0 O-C-N 124.819 1.325 . . . . 0.0 110.496 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -68.1 -38.56 82.45 Favored 'General case' 0 C--N 1.385 2.119 0 C-N-CA 124.87 1.268 . . . . 0.0 110.365 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -63.43 -37.74 88.46 Favored 'General case' 0 C--N 1.402 2.872 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.52 -39.89 85.08 Favored 'General case' 0 N--CA 1.506 2.345 0 C-N-CA 124.324 1.049 . . . . 0.0 111.054 176.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -74.22 -26.05 60.03 Favored 'General case' 0 C--N 1.383 2.058 0 C-N-CA 124.761 1.224 . . . . 0.0 112.645 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -69.18 -37.17 78.03 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 125.54 1.536 . . . . 0.0 111.539 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -66.58 -38.52 87.22 Favored 'General case' 0 C--N 1.386 2.175 0 C-N-CA 124.947 1.299 . . . . 0.0 110.669 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.71 -35.88 75.42 Favored 'General case' 0 C--N 1.389 2.285 0 C-N-CA 124.958 1.303 . . . . 0.0 111.791 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -68.56 -36.77 79.22 Favored 'General case' 0 C--N 1.392 2.416 0 C-N-CA 125.277 1.431 . . . . 0.0 111.854 177.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.46 90.65 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 125.221 1.408 . . . . 0.0 113.528 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -90.58 -38.88 12.87 Favored 'General case' 0 C--N 1.386 2.173 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -106.93 -30.24 8.98 Favored 'General case' 0 C--N 1.393 2.469 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -174.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 55.8 26.14 9.23 Favored 'General case' 0 N--CA 1.53 3.53 0 C-N-CA 127.53 2.332 . . . . 0.0 116.472 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.82 141.25 68.11 Favored Pre-proline 0 N--CA 1.5 2.063 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.44 -13.87 31.68 Favored 'Trans proline' 1 C--N 1.432 4.933 0 C-N-CA 124.073 3.182 . . . . 0.0 116.728 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -69.03 -37.66 78.75 Favored 'General case' 0 N--CA 1.527 3.408 0 C-N-CA 124.381 1.072 . . . . 0.0 113.321 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.92 -29.51 50.09 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 126.607 1.963 . . . . 0.0 110.069 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.24 -36.77 77.51 Favored 'General case' 0 C--N 1.379 1.878 0 C-N-CA 126.757 2.023 . . . . 0.0 110.233 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.24 -34.12 72.47 Favored 'General case' 0 C--N 1.379 1.886 0 C-N-CA 124.139 0.976 . . . . 0.0 110.601 173.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.25 -42.09 66.03 Favored 'General case' 0 N--CA 1.512 2.634 0 C-N-CA 125.226 1.41 . . . . 0.0 114.424 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.9 mt -66.63 -43.46 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.334 0 C-N-CA 125.1 1.36 . . . . 0.0 108.813 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.4 m -62.64 -41.55 99.09 Favored 'General case' 0 CA--C 1.59 2.486 0 C-N-CA 126.154 1.781 . . . . 0.0 111.432 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.73 95.37 Favored 'General case' 0 N--CA 1.513 2.693 0 C-N-CA 124.677 1.191 . . . . 0.0 112.467 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.26 -26.44 58.81 Favored 'General case' 0 C--N 1.381 1.96 0 C-N-CA 124.705 1.202 . . . . 0.0 111.886 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -37.86 89.04 Favored 'General case' 0 C--N 1.391 2.398 0 C-N-CA 126.249 1.82 . . . . 0.0 112.286 177.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -75.41 -35.09 61.07 Favored 'General case' 0 C--N 1.39 2.367 0 C-N-CA 124.897 1.279 . . . . 0.0 110.149 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -70.68 -34.21 71.75 Favored 'General case' 0 C--N 1.388 2.24 0 C-N-CA 125.406 1.482 . . . . 0.0 112.592 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -63.94 -39.35 93.96 Favored 'General case' 0 C--N 1.379 1.866 0 C-N-CA 124.711 1.204 . . . . 0.0 109.851 175.106 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.7 p -76.29 -38.91 55.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.156 0.91 . . . . 0.0 112.658 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -71.28 -35.19 71.25 Favored 'General case' 0 N--CA 1.511 2.578 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 83.4 m -72.08 -39.38 69.02 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 123.739 0.816 . . . . 0.0 112.41 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -29.67 69.91 Favored 'General case' 0 N--CA 1.51 2.527 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.64 -42.31 35.27 Favored 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 123.527 0.731 . . . . 0.0 112.287 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.15 -36.88 75.04 Favored 'General case' 0 C--N 1.379 1.85 0 C-N-CA 125.365 1.466 . . . . 0.0 113.075 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 33.8 mt -70.11 -40.13 77.94 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.85 0 C-N-CA 125.448 1.499 . . . . 0.0 110.6 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.84 96.97 Favored 'General case' 0 C--N 1.393 2.479 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.53 -40.53 76.85 Favored 'General case' 0 N--CA 1.514 2.762 0 C-N-CA 124.903 1.281 . . . . 0.0 114.044 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.2 p -70.93 -36.16 72.52 Favored 'General case' 0 N--CA 1.51 2.544 0 C-N-CA 124.303 1.041 . . . . 0.0 112.499 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -72.21 -32.6 66.92 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 124.536 1.134 . . . . 0.0 111.964 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -66.35 -37.32 85.06 Favored 'General case' 0 N--CA 1.51 2.538 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.58 -36.07 73.38 Favored 'General case' 0 C--N 1.372 1.545 0 O-C-N 124.57 1.169 . . . . 0.0 110.581 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.3 mt -74.7 -31.74 61.96 Favored 'General case' 0 C--N 1.39 2.366 0 C-N-CA 126.085 1.754 . . . . 0.0 112.651 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -72.41 -29.63 63.9 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 125.302 1.441 . . . . 0.0 113.169 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.382 2.008 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -177.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo . . . . . 0 N--CA 1.528 3.503 0 N-CA-C 117.528 2.088 . . . . 0.0 117.528 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mt -81.48 -34.11 31.54 Favored 'General case' 0 N--CA 1.507 2.41 0 CA-C-N 119.001 0.818 . . . . 0.0 111.911 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.5 -36.57 52.47 Favored 'General case' 0 C--N 1.374 1.665 0 C-N-CA 125.356 1.462 . . . . 0.0 112.555 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -29.8 65.47 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 124.009 0.924 . . . . 0.0 110.309 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -67.13 -37.98 84.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 124.517 1.136 . . . . 0.0 111.545 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.4 m -71.53 -41.19 69.48 Favored 'General case' 0 C--N 1.387 2.224 0 C-N-CA 124.259 1.024 . . . . 0.0 110.679 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.91 -43.86 86.44 Favored 'General case' 0 C--N 1.389 2.31 0 O-C-N 124.388 1.055 . . . . 0.0 111.703 172.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -65.12 -41.74 94.58 Favored 'General case' 0 C--N 1.396 2.63 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 m -67.91 -39.67 83.52 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.631 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.25 -32.55 72.36 Favored 'General case' 0 N--CA 1.504 2.243 0 C-N-CA 124.851 1.26 . . . . 0.0 111.89 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.54 -46.61 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.283 0 C-N-CA 125.162 1.385 . . . . 0.0 111.168 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 -32.34 72.28 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 123.835 0.854 . . . . 0.0 111.531 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.45 92.22 Favored 'General case' 0 N--CA 1.51 2.555 0 C-N-CA 125.647 1.579 . . . . 0.0 111.483 172.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.39 -37.21 66.05 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 124.1 0.96 . . . . 0.0 111.104 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -60.95 -39.02 87.91 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 126.906 2.082 . . . . 0.0 112.09 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.01 -32.35 70.48 Favored 'General case' 0 N--CA 1.509 2.482 0 C-N-CA 123.487 0.715 . . . . 0.0 112.282 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mp -80.24 -22.17 42.04 Favored 'General case' 0 N--CA 1.504 2.259 0 C-N-CA 125.982 1.713 . . . . 0.0 112.831 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.1 mt -109.29 15.3 8.12 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.66 0 C-N-CA 127.514 2.326 . . . . 0.0 108.758 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.87 -75.44 0.67 Allowed Glycine 0 N--CA 1.502 3.083 0 CA-C-O 117.935 -1.481 . . . . 0.0 115.718 -174.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.33 -7.8 15.02 Favored 'Trans proline' 0 C--N 1.412 3.917 0 C-N-CA 123.687 2.925 . . . . 0.0 117.405 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.21 -61.95 1.62 Allowed 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 126.303 1.841 . . . . 0.0 113.043 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.444 0 CA-C-N 120.051 1.296 . . . . 0.0 113.797 179.758 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 122.232 1.015 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -80.68 -10.0 59.76 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 113.37 -1.741 . . . . 0.0 114.024 -175.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -80.69 -28.05 36.84 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 123.339 0.656 . . . . 0.0 111.291 -177.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mt -101.2 -4.33 27.39 Favored 'General case' 0 C--N 1.388 2.254 0 O-C-N 123.559 0.537 . . . . 0.0 112.305 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -118.83 153.4 34.56 Favored 'General case' 0 C--N 1.383 2.056 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.3 109.86 14.47 Favored 'General case' 0 C--N 1.382 2.006 0 N-CA-C 104.766 -2.309 . . . . 0.0 104.766 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.9 p -146.15 147.97 32.08 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.209 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -85.22 -34.91 21.91 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 114.183 -1.371 . . . . 0.0 110.181 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.67 87.88 2.01 Favored Glycine 0 C--N 1.381 3.054 0 CA-C-O 118.163 -1.354 . . . . 0.0 113.457 175.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -126.55 -75.42 0.58 Allowed 'General case' 0 C--N 1.372 1.555 0 N-CA-C 105.58 -2.008 . . . . 0.0 105.58 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -148.09 -167.98 2.95 Favored 'General case' 0 N--CA 1.509 2.491 0 CA-C-N 112.53 -2.123 . . . . 0.0 111.22 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -17.86 63.65 Favored 'General case' 0 C--N 1.413 3.354 0 C-N-CA 124.555 1.142 . . . . 0.0 109.838 173.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.72 -37.56 77.58 Favored Glycine 0 C--N 1.388 3.434 0 C-N-CA 125.585 1.565 . . . . 0.0 114.036 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.43 -22.49 59.11 Favored 'General case' 0 N--CA 1.524 3.236 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -83.34 -30.85 27.14 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.27 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -75.24 -36.89 61.25 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 125.181 1.393 . . . . 0.0 111.745 175.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -36.48 78.26 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.995 1.318 . . . . 0.0 111.625 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.27 -31.72 60.84 Favored 'General case' 0 C--N 1.381 1.953 0 C-N-CA 123.734 0.814 . . . . 0.0 111.502 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.41 -40.54 70.43 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-N 113.874 -1.512 . . . . 0.0 111.311 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -36.84 79.92 Favored 'General case' 0 CA--C 1.576 1.976 0 C-N-CA 124.612 1.165 . . . . 0.0 110.298 175.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.4 -25.34 62.3 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 125.758 1.623 . . . . 0.0 112.55 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.3 m -78.52 -30.99 47.38 Favored 'General case' 0 C--N 1.383 2.063 0 C-N-CA 124.038 0.935 . . . . 0.0 110.253 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -42.93 65.48 Favored 'General case' 0 C--N 1.387 2.22 0 C-N-CA 124.278 1.031 . . . . 0.0 110.805 176.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.2 p -70.04 -31.79 69.59 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 126.255 1.822 . . . . 0.0 113.214 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -76.63 -35.37 58.09 Favored 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 123.602 0.761 . . . . 0.0 112.281 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.4 -30.97 66.72 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 124.812 1.245 . . . . 0.0 111.495 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.23 -37.15 86.36 Favored 'General case' 0 N--CA 1.504 2.265 0 C-N-CA 126.668 1.987 . . . . 0.0 111.79 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.44 -38.76 88.12 Favored 'General case' 0 C--N 1.39 2.353 0 O-C-N 124.258 0.974 . . . . 0.0 111.206 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.3 -29.17 70.26 Favored 'General case' 0 C--N 1.392 2.416 0 C-N-CA 125.209 1.404 . . . . 0.0 113.4 173.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.32 -39.85 87.0 Favored 'Isoleucine or valine' 0 C--N 1.389 2.313 0 C-N-CA 125.038 1.335 . . . . 0.0 108.637 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -64.42 -24.29 67.58 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 126.568 1.947 . . . . 0.0 111.688 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -71.82 -39.79 69.57 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 171.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.49 34.04 1.99 Allowed Glycine 0 C--N 1.382 3.124 0 N-CA-C 116.192 1.237 . . . . 0.0 116.192 171.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.78 111.5 23.45 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-O 121.855 0.836 . . . . 0.0 110.184 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.59 -25.25 62.11 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 113.435 -1.711 . . . . 0.0 112.512 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.9 m -70.88 -37.04 73.01 Favored 'General case' 0 CA--C 1.573 1.843 0 C-N-CA 125.374 1.469 . . . . 0.0 110.711 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -75.09 -22.6 58.17 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 123.891 0.876 . . . . 0.0 112.017 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -75.83 -48.98 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 C-N-CA 126.692 1.997 . . . . 0.0 109.701 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.44 82.93 Favored 'General case' 0 C--N 1.383 2.042 0 C-N-CA 127.087 2.155 . . . . 0.0 112.571 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -45.86 91.47 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 125.254 1.422 . . . . 0.0 109.062 172.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.69 -40.01 94.64 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 125.034 1.459 . . . . 0.0 111.249 175.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.43 98.07 Favored 'General case' 0 N--CA 1.514 2.754 0 C-N-CA 124.861 1.264 . . . . 0.0 112.587 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -70.78 -36.1 72.88 Favored 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 126.184 1.794 . . . . 0.0 111.08 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -70.38 -30.12 66.95 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 125.623 1.569 . . . . 0.0 110.289 173.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -44.65 66.0 Favored 'General case' 0 CA--C 1.573 1.857 0 C-N-CA 124.986 1.314 . . . . 0.0 111.657 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.412 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -67.72 -40.3 84.24 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 125.016 1.326 . . . . 0.0 112.677 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.79 85.71 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 126.281 1.832 . . . . 0.0 112.149 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -73.78 -27.92 61.39 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 123.842 0.857 . . . . 0.0 112.901 177.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.554 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 33.5 mt -62.49 -46.38 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 123.469 0.481 . . . . 0.0 109.756 175.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.3 mt-10 -66.44 -44.67 82.22 Favored 'General case' 0 N--CA 1.502 2.159 0 C-N-CA 124.755 1.222 . . . . 0.0 112.37 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.38 -46.93 46.09 Favored 'General case' 0 C--N 1.377 1.771 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -176.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.1 mt -85.84 -42.09 14.45 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -174.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.554 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 22.1 mt-30 -66.63 -39.93 88.51 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 123.922 0.764 . . . . 0.0 111.624 178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 2.0 mtp180 -79.83 -41.3 26.68 Favored 'General case' 0 C--N 1.389 2.307 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -70.93 -34.7 71.75 Favored 'General case' 0 N--CA 1.515 2.775 0 CA-C-N 119.265 0.939 . . . . 0.0 111.274 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.66 -28.13 60.72 Favored 'General case' 0 CA--C 1.576 1.942 0 C-N-CA 123.665 0.786 . . . . 0.0 110.089 174.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.28 -37.2 74.79 Favored 'General case' 0 C--N 1.414 3.37 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -85.51 -23.33 27.78 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 124.38 1.072 . . . . 0.0 110.767 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.45 -29.74 59.75 Favored 'General case' 0 C--N 1.387 2.197 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.491 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.4 p -79.2 -8.53 59.09 Favored 'General case' 0 C--N 1.392 2.418 0 C-N-CA 124.99 1.316 . . . . 0.0 113.118 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.775 0 C-N-CA 124.87 1.268 . . . . 0.0 114.102 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 . . . . . 0 CA--C 1.571 1.765 0 N-CA-C 112.26 0.466 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.4 mt -72.15 -37.11 69.48 Favored 'General case' 0 N--CA 1.517 2.905 0 C-N-CA 123.358 0.663 . . . . 0.0 111.083 176.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -70.81 -27.78 64.14 Favored 'General case' 0 C--N 1.384 2.096 0 C-N-CA 125.143 1.377 . . . . 0.0 109.45 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.98 -32.76 72.56 Favored 'General case' 0 C--N 1.391 2.406 0 C-N-CA 126.054 1.742 . . . . 0.0 110.97 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 6.6 mpt_? -73.43 -48.36 34.36 Favored 'General case' 0 C--N 1.393 2.493 0 C-N-CA 123.611 0.764 . . . . 0.0 109.257 176.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.14 -62.02 2.13 Favored 'General case' 0 CA--C 1.599 2.834 0 O-C-N 124.533 1.145 . . . . 0.0 113.255 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.34 -49.56 7.16 Favored 'General case' 0 C--N 1.383 2.04 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -175.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.92 -35.82 72.42 Favored 'General case' 0 N--CA 1.51 2.551 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.582 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 7.5 m-85 -70.97 -37.88 72.77 Favored 'General case' 0 C--N 1.392 2.431 0 CA-C-N 118.541 0.61 . . . . 0.0 111.89 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -67.92 -35.61 78.74 Favored 'General case' 0 C--N 1.397 2.634 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 176.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.11 -43.42 98.52 Favored 'General case' 0 N--CA 1.525 3.287 0 C-N-CA 124.904 1.281 . . . . 0.0 114.313 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -68.45 -35.81 78.11 Favored 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 124.381 1.072 . . . . 0.0 112.331 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -68.7 -35.68 77.48 Favored 'General case' 0 C--N 1.378 1.82 0 C-N-CA 124.856 1.262 . . . . 0.0 112.384 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -63.1 -41.81 99.47 Favored 'General case' 0 N--CA 1.507 2.392 0 C-N-CA 125.313 1.445 . . . . 0.0 114.389 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -73.24 -40.65 64.48 Favored 'General case' 0 N--CA 1.508 2.46 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.64 -33.5 71.6 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 123.422 0.451 . . . . 0.0 110.362 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.05 -33.83 70.65 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 125.289 1.436 . . . . 0.0 113.27 176.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.14 86.35 Favored 'General case' 0 C--N 1.399 2.754 0 C-N-CA 124.854 1.262 . . . . 0.0 111.667 -178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.0 mtt -65.73 -38.24 88.61 Favored 'General case' 0 C--N 1.391 2.395 0 CA-C-N 113.628 -1.624 . . . . 0.0 110.885 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -69.55 -38.46 77.46 Favored 'General case' 0 C--N 1.382 2.004 0 C-N-CA 124.642 1.177 . . . . 0.0 111.224 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -73.37 -46.75 47.22 Favored 'General case' 0 N--CA 1.508 2.434 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 -177.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.34 -40.9 73.82 Favored 'General case' 0 N--CA 1.509 2.502 0 C-N-CA 124.022 0.929 . . . . 0.0 113.299 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -68.55 -37.68 80.13 Favored 'General case' 0 C--N 1.384 2.105 0 C-N-CA 124.145 0.978 . . . . 0.0 112.813 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 0.4 OUTLIER -80.21 -14.37 58.49 Favored 'General case' 0 C--N 1.386 2.161 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.186 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -74.35 -52.74 11.3 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-N 118.788 0.722 . . . . 0.0 112.109 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -74.21 -30.71 62.32 Favored 'General case' 0 C--N 1.392 2.422 0 C-N-CA 124.147 0.979 . . . . 0.0 111.889 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -86.05 -14.17 45.19 Favored 'General case' 0 CA--C 1.574 1.876 0 C-N-CA 124.534 1.134 . . . . 0.0 112.566 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -62.67 -35.06 78.45 Favored 'General case' 0 N--CA 1.521 3.076 0 C-N-CA 125.352 1.461 . . . . 0.0 110.223 174.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.77 -38.35 87.7 Favored 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 125.135 1.374 . . . . 0.0 112.71 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -70.63 -30.12 66.68 Favored 'General case' 0 C--N 1.396 2.615 0 C-N-CA 125.072 1.349 . . . . 0.0 112.498 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 51.54 27.4 3.85 Favored 'General case' 0 N--CA 1.528 3.45 0 C-N-CA 127.86 2.464 . . . . 0.0 117.01 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.58 148.95 39.81 Favored Pre-proline 0 CA--C 1.583 2.22 0 CA-C-O 118.648 -0.691 . . . . 0.0 112.143 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.05 -11.95 17.42 Favored 'Trans proline' 1 C--N 1.427 4.688 0 C-N-CA 124.167 3.244 . . . . 0.0 117.72 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -33.18 65.45 Favored 'General case' 0 N--CA 1.524 3.242 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -173.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -31.16 56.45 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 125.976 1.71 . . . . 0.0 110.73 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.24 -33.53 69.92 Favored 'General case' 0 C--N 1.385 2.137 0 C-N-CA 124.618 1.167 . . . . 0.0 109.787 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.12 -28.94 63.6 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 124.095 0.958 . . . . 0.0 111.995 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -76.2 -43.69 41.26 Favored 'General case' 0 C--N 1.395 2.578 0 C-N-CA 124.654 1.182 . . . . 0.0 112.706 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.1 mp -70.76 -40.58 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 C-N-CA 126.64 1.976 . . . . 0.0 112.106 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.5 m -62.01 -38.61 89.29 Favored 'General case' 0 CA--C 1.584 2.275 0 C-N-CA 125.94 1.696 . . . . 0.0 110.234 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.12 94.9 Favored 'General case' 0 N--CA 1.507 2.386 0 C-N-CA 124.813 1.245 . . . . 0.0 112.002 175.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.46 -28.47 61.97 Favored 'General case' 0 C--N 1.387 2.202 0 C-N-CA 125.187 1.395 . . . . 0.0 111.552 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -34.74 76.09 Favored 'General case' 0 C--N 1.39 2.341 0 C-N-CA 126.646 1.978 . . . . 0.0 111.391 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -76.28 -33.5 59.11 Favored 'General case' 0 C--N 1.38 1.908 0 C-N-CA 125.805 1.642 . . . . 0.0 109.853 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -71.96 -34.9 69.36 Favored 'General case' 0 C--N 1.385 2.126 0 C-N-CA 125.349 1.46 . . . . 0.0 112.626 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.82 -40.64 98.03 Favored 'General case' 0 C--N 1.38 1.912 0 C-N-CA 124.393 1.077 . . . . 0.0 109.863 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.3 p -77.55 -40.4 42.64 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -71.26 -36.05 71.61 Favored 'General case' 0 N--CA 1.514 2.773 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 90.0 m -73.24 -38.35 66.03 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 123.453 0.701 . . . . 0.0 111.679 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -64.71 -39.69 94.08 Favored 'General case' 0 C--N 1.389 2.29 0 C-N-CA 125.032 1.333 . . . . 0.0 112.939 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 15.0 m -72.09 -43.69 64.42 Favored 'General case' 0 CA--C 1.576 1.95 0 C-N-CA 125.037 1.335 . . . . 0.0 112.393 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.66 -39.26 84.54 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 125.541 1.536 . . . . 0.0 113.302 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 35.9 mt -70.43 -39.31 76.22 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.025 0 C-N-CA 125.413 1.485 . . . . 0.0 110.582 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.25 -41.17 97.08 Favored 'General case' 0 C--N 1.392 2.446 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.56 -40.53 84.94 Favored 'General case' 0 N--CA 1.514 2.744 0 C-N-CA 124.777 1.231 . . . . 0.0 113.623 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.3 p -70.33 -34.43 72.67 Favored 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 124.282 1.033 . . . . 0.0 112.667 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.72 -29.74 62.43 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 124.424 1.09 . . . . 0.0 112.61 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.72 -38.68 83.9 Favored 'General case' 0 N--CA 1.514 2.742 0 C-N-CA 124.601 1.16 . . . . 0.0 113.461 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.34 -32.55 70.32 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 124.997 1.319 . . . . 0.0 110.838 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.12 -29.37 60.54 Favored 'General case' 0 C--N 1.384 2.103 0 C-N-CA 125.101 1.361 . . . . 0.0 111.978 177.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -71.97 -31.85 66.69 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 125.736 1.614 . . . . 0.0 112.996 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 . . . . . 0 C--N 1.384 2.079 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 -177.484 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo . . . . . 0 N--CA 1.525 3.328 0 N-CA-C 116.629 1.742 . . . . 0.0 116.629 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.23 -34.73 20.36 Favored 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 124.076 0.951 . . . . 0.0 111.405 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.57 -37.73 49.95 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 125.029 1.332 . . . . 0.0 112.125 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -30.61 67.56 Favored 'General case' 0 C--N 1.382 2.007 0 C-N-CA 124.255 1.022 . . . . 0.0 109.803 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.44 -38.41 87.33 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 124.524 1.14 . . . . 0.0 111.506 176.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.2 m -71.44 -41.13 69.86 Favored 'General case' 0 C--N 1.386 2.165 0 C-N-CA 123.926 0.89 . . . . 0.0 110.819 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 mt -58.84 -43.75 90.77 Favored 'General case' 0 C--N 1.388 2.266 0 O-C-N 124.422 1.076 . . . . 0.0 112.088 173.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -65.98 -39.62 90.53 Favored 'General case' 0 C--N 1.401 2.809 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -69.28 -38.1 78.2 Favored 'General case' 0 C--N 1.376 1.744 0 CA-C-O 117.5 -1.238 . . . . 0.0 110.307 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.5 -29.02 70.35 Favored 'General case' 0 N--CA 1.507 2.389 0 C-N-CA 123.823 0.849 . . . . 0.0 111.756 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.9 t -76.12 -45.69 35.43 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 C-N-CA 125.633 1.573 . . . . 0.0 110.843 177.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.65 -29.66 67.17 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 123.543 0.737 . . . . 0.0 111.228 175.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.44 91.14 Favored 'General case' 0 N--CA 1.51 2.559 0 C-N-CA 125.855 1.662 . . . . 0.0 110.245 171.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -35.46 70.73 Favored 'General case' 0 C--N 1.382 1.98 0 C-N-CA 124.737 1.215 . . . . 0.0 110.745 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -59.82 -43.15 94.69 Favored 'General case' 0 N--CA 1.503 2.214 0 C-N-CA 127.198 2.199 . . . . 0.0 111.837 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.13 -14.07 59.35 Favored 'General case' 0 N--CA 1.504 2.268 0 C-N-CA 125.094 1.358 . . . . 0.0 114.19 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -97.6 -18.17 19.09 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.848 1.259 . . . . 0.0 109.023 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.18 15.9 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.696 0 C-N-CA 126.769 2.028 . . . . 0.0 111.046 176.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.5 -81.13 0.14 Allowed Glycine 0 N--CA 1.495 2.584 0 CA-C-O 116.391 -2.339 . . . . 0.0 114.046 -172.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.24 -3.28 9.6 Favored 'Trans proline' 1 C--N 1.423 4.497 0 CA-C-N 122.461 3.131 . . . . 0.0 114.869 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.27 -8.05 55.82 Favored 'General case' 0 C--N 1.382 2.015 0 C-N-CA 126.484 1.914 . . . . 0.0 112.772 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.022 0 C-N-CA 126.764 2.026 . . . . 0.0 116.391 178.755 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 121.837 0.827 . . . . 0.0 110.087 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -85.06 -0.86 55.85 Favored 'General case' 0 N--CA 1.5 2.065 0 CA-C-N 113.989 -1.46 . . . . 0.0 113.881 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -80.62 -21.68 41.29 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 124.277 1.031 . . . . 0.0 111.756 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 mt -90.62 -3.09 57.79 Favored 'General case' 0 C--N 1.384 2.096 0 C-N-CA 124.687 1.195 . . . . 0.0 112.13 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -122.35 156.85 33.07 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 124.506 1.123 . . . . 0.0 112.953 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.22 113.05 18.41 Favored 'General case' 0 C--N 1.376 1.746 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 t -135.84 158.97 43.1 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.69 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -106.55 48.5 0.84 Allowed 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.34 -69.79 0.47 Allowed Glycine 0 N--CA 1.489 2.224 0 N-CA-C 118.168 2.027 . . . . 0.0 118.168 170.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -175.21 63.91 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 119.056 1.428 . . . . 0.0 109.78 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -141.58 137.96 32.3 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.06 -23.58 62.17 Favored 'General case' 0 N--CA 1.525 3.291 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 171.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.1 -36.96 93.7 Favored Glycine 0 C--N 1.381 3.081 0 C-N-CA 125.353 1.454 . . . . 0.0 114.422 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.66 -23.04 42.79 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 123.754 0.821 . . . . 0.0 112.547 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -81.37 -29.69 33.94 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.77 -38.21 58.56 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 124.931 1.292 . . . . 0.0 112.933 178.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.8 -35.88 72.74 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 125.49 1.516 . . . . 0.0 112.492 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -78.79 -29.36 44.88 Favored 'General case' 0 C--N 1.377 1.795 0 C-N-CA 123.754 0.822 . . . . 0.0 110.437 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.48 -37.56 65.7 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.771 -1.559 . . . . 0.0 111.342 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -65.0 -41.52 95.32 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 125.186 1.394 . . . . 0.0 110.412 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.79 -39.8 72.95 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 125.719 1.608 . . . . 0.0 112.016 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.8 m -63.14 -37.65 88.04 Favored 'General case' 0 N--CA 1.513 2.705 0 C-N-CA 124.421 1.089 . . . . 0.0 113.674 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.7 tp -70.19 -40.87 74.36 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 124.753 1.221 . . . . 0.0 110.944 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.5 p -71.55 -29.59 64.92 Favored 'General case' 0 N--CA 1.507 2.408 0 C-N-CA 125.372 1.469 . . . . 0.0 113.407 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -76.93 -39.28 51.29 Favored 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 123.882 0.873 . . . . 0.0 113.068 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.03 -35.68 78.68 Favored 'General case' 0 N--CA 1.507 2.379 0 C-N-CA 124.923 1.289 . . . . 0.0 111.744 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -34.98 78.93 Favored 'General case' 0 C--N 1.386 2.189 0 C-N-CA 126.456 1.903 . . . . 0.0 112.143 176.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.15 -40.76 94.8 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 124.2 1.0 . . . . 0.0 112.111 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.8 -27.83 68.55 Favored 'General case' 0 C--N 1.393 2.498 0 C-N-CA 124.973 1.309 . . . . 0.0 113.244 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.32 -38.89 83.69 Favored 'Isoleucine or valine' 0 C--N 1.379 1.886 0 C-N-CA 125.31 1.444 . . . . 0.0 108.866 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -69.39 -12.24 61.49 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 125.854 1.662 . . . . 0.0 112.444 174.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -84.1 -38.99 20.07 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 171.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.06 32.19 2.27 Favored Glycine 0 C--N 1.379 2.963 0 N-CA-C 116.546 1.379 . . . . 0.0 116.546 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.24 108.61 20.21 Favored 'General case' 0 C--N 1.373 1.588 0 CA-C-O 121.772 0.796 . . . . 0.0 109.126 177.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.64 -23.39 61.68 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 113.531 -1.668 . . . . 0.0 112.462 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.6 m -71.06 -37.38 72.49 Favored 'General case' 0 CA--C 1.573 1.853 0 C-N-CA 125.06 1.344 . . . . 0.0 110.39 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.96 -22.56 58.49 Favored 'General case' 0 C--N 1.392 2.434 0 C-N-CA 124.341 1.056 . . . . 0.0 112.165 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.91 -49.26 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 126.447 1.899 . . . . 0.0 109.864 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.79 -37.15 81.64 Favored 'General case' 0 C--N 1.383 2.045 0 C-N-CA 127.074 2.15 . . . . 0.0 112.344 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.84 -45.62 91.74 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 125.575 1.55 . . . . 0.0 108.962 172.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.95 -40.18 95.83 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 124.763 1.29 . . . . 0.0 111.305 175.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.19 95.75 Favored 'General case' 0 N--CA 1.511 2.624 0 C-N-CA 124.944 1.298 . . . . 0.0 112.607 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.98 -38.04 75.92 Favored 'General case' 0 N--CA 1.519 3.013 0 C-N-CA 126.096 1.759 . . . . 0.0 111.221 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -28.9 64.12 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 125.484 1.514 . . . . 0.0 110.571 173.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.15 -45.56 66.52 Favored 'General case' 0 C--N 1.379 1.851 0 C-N-CA 124.192 0.997 . . . . 0.0 111.443 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.45 -40.25 81.18 Favored 'General case' 0 C--N 1.388 2.264 0 C-N-CA 125.369 1.468 . . . . 0.0 112.752 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.28 84.48 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 125.928 1.691 . . . . 0.0 111.89 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -73.59 -27.12 61.13 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 123.883 0.873 . . . . 0.0 112.369 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 33.2 mt -63.07 -46.35 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -67.37 -46.68 72.61 Favored 'General case' 0 N--CA 1.502 2.143 0 C-N-CA 124.718 1.207 . . . . 0.0 112.497 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.04 -44.17 61.11 Favored 'General case' 0 C--N 1.376 1.75 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.1 mt -85.88 -45.93 11.08 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -175.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 50.7 mt-30 -65.92 -36.89 84.61 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 124.047 0.842 . . . . 0.0 113.026 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -76.0 -38.85 56.87 Favored 'General case' 0 CA--C 1.588 2.411 0 C-N-CA 124.556 1.142 . . . . 0.0 113.771 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -77.19 -26.14 52.55 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-N 119.534 1.061 . . . . 0.0 109.519 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.51 -23.83 46.12 Favored 'General case' 0 C--N 1.385 2.117 0 C-N-CA 125.776 1.63 . . . . 0.0 110.451 174.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.44 96.89 Favored 'General case' 0 C--N 1.413 3.341 0 C-N-CA 123.693 0.797 . . . . 0.0 112.957 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -77.79 -29.38 50.78 Favored 'General case' 0 C--N 1.391 2.411 0 C-N-CA 124.58 1.152 . . . . 0.0 111.174 175.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.88 -25.49 56.97 Favored 'General case' 0 C--N 1.389 2.291 0 C-N-CA 123.978 0.911 . . . . 0.0 113.033 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -57.64 -17.67 15.98 Favored 'General case' 0 C--N 1.415 3.444 0 C-N-CA 126.007 1.723 . . . . 0.0 113.078 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.526 3.333 0 C-N-CA 127.116 2.166 . . . . 0.0 114.442 174.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.572 1.817 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 64.0 mt -71.48 -35.4 70.79 Favored 'General case' 0 C--N 1.391 2.412 0 C-N-CA 124.701 1.2 . . . . 0.0 113.052 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -68.64 -34.3 75.48 Favored 'General case' 0 C--N 1.381 1.936 0 C-N-CA 125.237 1.415 . . . . 0.0 111.401 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -65.15 -36.03 82.96 Favored 'General case' 0 C--N 1.387 2.21 0 C-N-CA 125.497 1.519 . . . . 0.0 110.796 173.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.482 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -72.1 -50.35 28.78 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 123.814 0.845 . . . . 0.0 110.82 175.53 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.39 -62.04 1.85 Allowed 'General case' 0 CA--C 1.596 2.723 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.53 -43.47 20.67 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 117.032 2.234 . . . . 0.0 117.032 -176.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 38.1 mt-10 -71.54 -33.62 69.31 Favored 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 7.4 m-85 -68.41 -38.92 81.73 Favored 'General case' 0 C--N 1.39 2.345 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.783 177.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -64.32 -38.48 91.2 Favored 'General case' 0 C--N 1.395 2.561 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -67.13 -42.32 84.62 Favored 'General case' 0 N--CA 1.516 2.866 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -70.61 -35.11 72.8 Favored 'General case' 0 N--CA 1.506 2.334 0 C-N-CA 124.243 1.017 . . . . 0.0 112.116 178.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 31.9 mt-10 -67.95 -35.71 78.86 Favored 'General case' 0 C--N 1.382 2.02 0 C-N-CA 125.168 1.387 . . . . 0.0 111.784 176.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -59.69 -50.22 74.68 Favored 'General case' 0 C--N 1.39 2.361 0 C-N-CA 125.918 1.687 . . . . 0.0 114.571 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -72.36 -39.96 67.68 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 152' ' ' LEU . 20.1 mt -61.28 -33.46 73.58 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 123.671 0.607 . . . . 0.0 110.555 175.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -70.58 -35.24 72.93 Favored 'General case' 0 C--N 1.377 1.794 0 C-N-CA 125.225 1.41 . . . . 0.0 111.955 176.183 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.1 -39.61 90.1 Favored 'General case' 0 C--N 1.408 3.148 0 C-N-CA 125.582 1.553 . . . . 0.0 112.547 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 59.7 mtt -64.47 -39.58 94.08 Favored 'General case' 0 C--N 1.386 2.183 0 O-C-N 124.817 1.323 . . . . 0.0 110.67 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -68.87 -38.93 80.03 Favored 'General case' 0 C--N 1.383 2.055 0 C-N-CA 125.017 1.327 . . . . 0.0 110.534 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -66.49 -35.71 80.94 Favored 'General case' 0 C--N 1.399 2.746 0 C-N-CA 124.962 1.305 . . . . 0.0 114.505 -178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.45 -39.76 85.36 Favored 'General case' 0 N--CA 1.507 2.411 0 C-N-CA 124.373 1.069 . . . . 0.0 110.923 176.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -75.74 -23.78 56.04 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 124.606 1.162 . . . . 0.0 112.647 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -69.15 -36.86 77.87 Favored 'General case' 0 N--CA 1.516 2.826 0 C-N-CA 125.195 1.398 . . . . 0.0 111.21 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -67.2 -38.67 85.72 Favored 'General case' 0 C--N 1.384 2.097 0 C-N-CA 124.9 1.28 . . . . 0.0 110.712 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.93 -36.41 75.3 Favored 'General case' 0 C--N 1.391 2.379 0 C-N-CA 124.864 1.266 . . . . 0.0 111.858 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -70.14 -34.52 73.16 Favored 'General case' 0 C--N 1.389 2.321 0 C-N-CA 125.066 1.347 . . . . 0.0 111.757 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.42 -38.34 89.63 Favored 'General case' 0 CA--C 1.572 1.811 0 C-N-CA 125.22 1.408 . . . . 0.0 113.273 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -90.82 -38.9 12.67 Favored 'General case' 0 C--N 1.387 2.199 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -106.83 -29.98 9.18 Favored 'General case' 0 C--N 1.394 2.532 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 55.99 26.17 9.64 Favored 'General case' 0 N--CA 1.531 3.621 0 C-N-CA 127.519 2.328 . . . . 0.0 116.569 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.17 137.92 60.62 Favored Pre-proline 0 N--CA 1.503 2.182 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -56.74 -14.88 14.67 Favored 'Trans proline' 1 C--N 1.438 5.283 0 C-N-CA 124.808 3.672 . . . . 0.0 116.748 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -68.73 -37.76 79.68 Favored 'General case' 0 N--CA 1.527 3.413 0 C-N-CA 124.396 1.078 . . . . 0.0 113.273 -177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.505 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -77.83 -29.68 50.68 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 126.692 1.997 . . . . 0.0 109.988 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.42 -37.02 77.24 Favored 'General case' 0 C--N 1.375 1.716 0 C-N-CA 126.779 2.032 . . . . 0.0 110.394 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.64 -33.18 70.71 Favored 'General case' 0 C--N 1.381 1.937 0 C-N-CA 124.112 0.965 . . . . 0.0 110.738 173.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.33 -42.58 65.22 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 125.085 1.354 . . . . 0.0 114.007 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 6.6 mt -66.35 -43.18 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.233 0 C-N-CA 125.274 1.429 . . . . 0.0 109.069 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.3 m -62.59 -42.49 99.59 Favored 'General case' 0 CA--C 1.588 2.417 0 C-N-CA 126.059 1.744 . . . . 0.0 111.558 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.01 95.98 Favored 'General case' 0 N--CA 1.512 2.65 0 C-N-CA 124.576 1.15 . . . . 0.0 112.492 175.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 21.8 mt -73.53 -27.6 61.44 Favored 'General case' 0 C--N 1.38 1.912 0 C-N-CA 125.061 1.345 . . . . 0.0 111.974 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -37.91 88.36 Favored 'General case' 0 C--N 1.39 2.344 0 C-N-CA 126.22 1.808 . . . . 0.0 112.439 177.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -75.18 -34.87 61.59 Favored 'General case' 0 C--N 1.39 2.363 0 C-N-CA 125.139 1.376 . . . . 0.0 109.954 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -70.46 -34.98 73.04 Favored 'General case' 0 C--N 1.386 2.179 0 C-N-CA 125.626 1.57 . . . . 0.0 112.613 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.7 OUTLIER -64.46 -38.7 91.93 Favored 'General case' 0 C--N 1.381 1.961 0 C-N-CA 124.332 1.053 . . . . 0.0 109.999 174.768 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.7 p -77.36 -39.04 48.85 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 123.94 0.775 . . . . 0.0 112.814 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -70.69 -37.56 73.61 Favored 'General case' 0 N--CA 1.514 2.74 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 88.8 m -71.52 -38.38 71.1 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 123.767 0.827 . . . . 0.0 111.65 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -64.0 -38.13 89.96 Favored 'General case' 0 C--N 1.391 2.388 0 C-N-CA 125.294 1.437 . . . . 0.0 113.369 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 27.5 m -67.68 -40.63 84.42 Favored 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 125.263 1.425 . . . . 0.0 110.235 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.89 -37.88 79.3 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 125.963 1.705 . . . . 0.0 112.589 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 13.0 mt -70.24 -40.01 77.49 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.863 0 C-N-CA 126.291 1.837 . . . . 0.0 110.62 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.0 98.87 Favored 'General case' 0 C--N 1.389 2.308 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.39 -41.28 66.47 Favored 'General case' 0 N--CA 1.507 2.424 0 C-N-CA 124.553 1.141 . . . . 0.0 114.078 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.7 p -72.15 -38.57 69.17 Favored 'General case' 0 N--CA 1.509 2.499 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -74.34 -36.18 63.64 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 123.824 0.85 . . . . 0.0 113.189 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -68.17 -38.53 82.18 Favored 'General case' 0 N--CA 1.51 2.53 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -71.1 -37.19 72.39 Favored 'General case' 0 C--N 1.374 1.638 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.811 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.12 -33.84 68.13 Favored 'General case' 0 C--N 1.389 2.302 0 C-N-CA 125.567 1.547 . . . . 0.0 112.735 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.15 -23.61 59.29 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 124.651 1.18 . . . . 0.0 112.887 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.381 1.964 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 N--CA 1.521 3.122 0 N-CA-C 114.462 0.909 . . . . 0.0 114.462 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.63 -44.55 6.4 Favored 'General case' 0 N--CA 1.503 2.184 0 C-N-CA 123.586 0.754 . . . . 0.0 112.092 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -36.8 57.61 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 125.057 1.343 . . . . 0.0 112.203 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.32 -31.46 68.78 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 124.441 1.096 . . . . 0.0 110.524 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -69.43 -35.69 75.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 124.361 1.038 . . . . 0.0 111.394 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -72.36 -40.97 66.94 Favored 'General case' 0 C--N 1.387 2.235 0 C-N-CA 124.108 0.963 . . . . 0.0 111.015 176.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.8 -44.41 86.28 Favored 'General case' 0 C--N 1.392 2.419 0 O-C-N 124.344 1.028 . . . . 0.0 111.965 173.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -65.57 -39.07 91.25 Favored 'General case' 0 C--N 1.396 2.612 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.5 m -68.89 -38.79 79.86 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.744 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.7 -30.6 71.53 Favored 'General case' 0 N--CA 1.509 2.487 0 C-N-CA 124.704 1.202 . . . . 0.0 111.986 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.8 t -75.26 -46.16 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 C-N-CA 125.251 1.42 . . . . 0.0 110.415 177.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB1' HD21 ' A' ' 86' ' ' LEU . . . -69.14 -30.68 68.98 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 123.755 0.822 . . . . 0.0 111.453 175.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.421 ' O ' HD23 ' A' ' 20' ' ' LEU . . . -64.63 -42.75 95.27 Favored 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 125.49 1.516 . . . . 0.0 110.427 172.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.11 -35.42 74.12 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 124.208 1.003 . . . . 0.0 110.637 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -61.04 -39.6 90.42 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 127.543 2.337 . . . . 0.0 111.977 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.84 -15.96 59.57 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 176.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 16' ' ' ALA . 3.0 mm? -97.52 -19.04 18.63 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.956 1.302 . . . . 0.0 110.168 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.17 10.41 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 C-N-CA 126.976 2.11 . . . . 0.0 113.456 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.32 -75.55 1.2 Allowed Glycine 0 N--CA 1.488 2.112 0 CA-C-O 117.098 -1.946 . . . . 0.0 113.99 -171.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -60.2 -19.02 55.13 Favored 'Trans proline' 1 C--N 1.42 4.313 0 CA-C-N 121.068 2.434 . . . . 0.0 114.471 176.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mp -72.35 -38.82 68.48 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 124.775 1.23 . . . . 0.0 112.993 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.393 2.491 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 179.152 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 122.361 1.076 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -82.24 -14.52 55.38 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 112.933 -1.94 . . . . 0.0 113.915 -176.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -81.31 -28.33 34.65 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 123.455 0.702 . . . . 0.0 111.584 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mt -98.03 -1.04 43.47 Favored 'General case' 0 C--N 1.385 2.146 0 C-N-CA 124.071 0.948 . . . . 0.0 112.451 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -120.56 153.94 36.06 Favored 'General case' 0 C--N 1.38 1.894 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.37 112.82 18.56 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.3 t -134.58 158.47 43.93 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.148 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -111.81 22.29 15.1 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 124.398 1.079 . . . . 0.0 112.924 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.28 85.89 0.63 Allowed Glycine 0 C--N 1.362 1.972 0 CA-C-O 117.528 -1.707 . . . . 0.0 117.222 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 27.59 59.76 0.1 Allowed 'General case' 0 N--CA 1.531 3.586 0 N-CA-C 117.282 2.327 . . . . 0.0 117.282 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -131.79 133.5 44.79 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.83 -27.62 63.03 Favored 'General case' 0 N--CA 1.512 2.674 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 170.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.63 -36.93 93.39 Favored Glycine 0 C--N 1.385 3.27 0 CA-C-N 113.924 -1.489 . . . . 0.0 114.418 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.98 -25.81 40.2 Favored 'General case' 0 C--N 1.395 2.57 0 C-N-CA 123.206 0.602 . . . . 0.0 112.043 -177.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -81.93 -29.64 32.19 Favored 'General case' 0 N--CA 1.505 2.315 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.385 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.14 -35.77 61.62 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 124.794 1.238 . . . . 0.0 111.876 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -30.37 67.65 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 125.362 1.465 . . . . 0.0 111.393 177.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.39 -31.25 37.81 Favored 'General case' 0 C--N 1.382 2.008 0 C-N-CA 123.659 0.784 . . . . 0.0 109.13 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.32 -40.48 64.44 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 114.208 -1.36 . . . . 0.0 112.256 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.54 -35.48 75.47 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 124.792 1.237 . . . . 0.0 110.911 175.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.26 -26.64 61.19 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 125.88 1.672 . . . . 0.0 112.493 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.2 m -78.39 -28.41 46.98 Favored 'General case' 0 C--N 1.386 2.187 0 C-N-CA 123.723 0.809 . . . . 0.0 110.553 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.4 -40.99 66.76 Favored 'General case' 0 C--N 1.385 2.109 0 C-N-CA 124.184 0.994 . . . . 0.0 110.888 176.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.5 p -70.93 -32.13 68.95 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 125.809 1.644 . . . . 0.0 113.943 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -76.94 -40.59 46.54 Favored 'General case' 0 N--CA 1.513 2.714 0 CA-C-N 118.961 0.8 . . . . 0.0 112.942 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.69 -31.76 71.1 Favored 'General case' 0 C--N 1.39 2.342 0 C-N-CA 124.739 1.215 . . . . 0.0 111.43 177.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 0.4 OUTLIER -66.21 -33.53 75.96 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 126.188 1.795 . . . . 0.0 111.45 175.791 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.15 90.02 Favored 'General case' 0 C--N 1.391 2.393 0 O-C-N 124.111 0.882 . . . . 0.0 112.591 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.09 -29.85 66.93 Favored 'General case' 0 C--N 1.391 2.407 0 C-N-CA 123.62 0.768 . . . . 0.0 112.26 173.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 59.4 t -60.49 -40.26 83.76 Favored 'Isoleucine or valine' 0 C--N 1.389 2.283 0 C-N-CA 125.804 1.641 . . . . 0.0 109.376 175.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -52.36 -33.22 42.02 Favored 'General case' 0 C--N 1.394 2.538 0 O-C-N 125.195 1.56 . . . . 0.0 113.285 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -70.19 -37.9 75.22 Favored 'General case' 0 C--N 1.401 2.829 0 C-N-CA 125.379 1.472 . . . . 0.0 112.447 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.77 35.09 2.09 Favored Glycine 0 C--N 1.372 2.562 0 N-CA-C 115.793 1.077 . . . . 0.0 115.793 175.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.7 113.35 25.42 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-O 121.805 0.812 . . . . 0.0 109.153 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.51 -29.17 65.6 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 113.135 -1.848 . . . . 0.0 113.203 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.9 m -71.75 -38.01 70.46 Favored 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 124.851 1.26 . . . . 0.0 111.265 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -75.32 -22.66 57.48 Favored 'General case' 0 N--CA 1.507 2.424 0 C-N-CA 123.734 0.814 . . . . 0.0 112.306 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.0 t -76.6 -47.69 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 126.183 1.793 . . . . 0.0 109.861 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.73 -37.46 82.21 Favored 'General case' 0 C--N 1.386 2.169 0 C-N-CA 127.319 2.248 . . . . 0.0 112.636 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -41.47 97.27 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 126.15 1.78 . . . . 0.0 110.127 173.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tt -72.85 -37.85 67.25 Favored 'General case' 0 CA--C 1.573 1.83 0 C-N-CA 124.849 1.26 . . . . 0.0 109.729 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.27 99.24 Favored 'General case' 0 N--CA 1.515 2.778 0 C-N-CA 124.641 1.176 . . . . 0.0 112.257 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -72.17 -37.07 69.42 Favored 'General case' 0 N--CA 1.515 2.792 0 C-N-CA 126.204 1.802 . . . . 0.0 111.506 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -71.34 -30.33 66.06 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 125.078 1.351 . . . . 0.0 110.578 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.06 -43.22 65.26 Favored 'General case' 0 C--N 1.374 1.662 0 C-N-CA 124.496 1.118 . . . . 0.0 112.522 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.26 -40.57 81.87 Favored 'General case' 0 C--N 1.387 2.224 0 C-N-CA 124.891 1.276 . . . . 0.0 112.524 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.39 -37.78 83.65 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 126.404 1.882 . . . . 0.0 112.177 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -73.36 -27.81 61.69 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 123.889 0.876 . . . . 0.0 112.413 176.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.559 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 27.4 mt -62.22 -46.26 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.529 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.3 mt-10 -66.15 -45.04 82.38 Favored 'General case' 0 N--CA 1.506 2.337 0 C-N-CA 124.799 1.24 . . . . 0.0 112.377 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.34 -44.71 58.3 Favored 'General case' 0 C--N 1.377 1.78 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -177.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.47 HD13 HE22 ' A' ' 116' ' ' GLN . 72.7 mt -86.21 -43.21 13.17 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -175.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 18.6 mt-30 -67.77 -38.17 83.04 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 123.819 0.7 . . . . 0.0 111.964 178.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 7.3 mtt180 -79.17 -38.29 36.28 Favored 'General case' 0 C--N 1.388 2.282 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -72.4 -31.7 65.76 Favored 'General case' 0 N--CA 1.514 2.755 0 CA-C-N 119.316 0.962 . . . . 0.0 110.311 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.3 -29.21 60.01 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 124.072 0.949 . . . . 0.0 110.306 174.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.43 73.44 Favored 'General case' 0 C--N 1.408 3.11 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.5 p -85.67 -22.4 27.9 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.322 1.049 . . . . 0.0 110.737 177.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.01 -28.47 57.79 Favored 'General case' 0 C--N 1.388 2.264 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.495 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -77.97 -9.03 58.9 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 125.671 1.589 . . . . 0.0 113.388 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 179.356 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 . . . . . 0 N--CA 1.511 2.606 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.468 ' H ' ' HG ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -74.5 -27.04 60.38 Favored 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 126.182 1.793 . . . . 0.0 112.914 178.489 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -67.22 -35.67 80.08 Favored 'General case' 0 C--N 1.379 1.873 0 C-N-CA 125.536 1.535 . . . . 0.0 110.367 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.18 -35.79 81.38 Favored 'General case' 0 C--N 1.393 2.46 0 C-N-CA 126.082 1.753 . . . . 0.0 111.052 173.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.702 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -71.46 -44.11 65.39 Favored 'General case' 0 C--N 1.377 1.794 0 C-N-CA 123.63 0.772 . . . . 0.0 110.962 174.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -60.73 3.35 Favored 'General case' 0 CA--C 1.599 2.853 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 177.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.24 -48.02 9.51 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -175.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 40.7 mt-10 -71.32 -34.98 71.06 Favored 'General case' 0 N--CA 1.512 2.652 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -178.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.702 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 4.1 m-85 -68.57 -38.47 80.76 Favored 'General case' 0 C--N 1.396 2.589 0 CA-C-N 118.768 0.713 . . . . 0.0 111.806 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.47 HE22 HD13 ' A' ' 86' ' ' LEU . 55.0 mt-30 -66.17 -33.94 76.9 Favored 'General case' 0 C--N 1.397 2.649 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.82 -42.3 95.08 Favored 'General case' 0 N--CA 1.518 2.957 0 C-N-CA 124.727 1.211 . . . . 0.0 112.964 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -70.0 -36.25 74.99 Favored 'General case' 0 C--N 1.388 2.246 0 C-N-CA 124.935 1.294 . . . . 0.0 112.257 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -69.09 -35.01 76.0 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 125.09 1.356 . . . . 0.0 111.806 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -62.03 -45.77 92.1 Favored 'General case' 0 C--N 1.39 2.336 0 C-N-CA 125.771 1.628 . . . . 0.0 113.169 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -72.77 -41.29 65.2 Favored 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.76 -33.76 73.44 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 118.283 0.492 . . . . 0.0 110.407 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -32.94 68.58 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 124.984 1.314 . . . . 0.0 112.849 176.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.49 87.7 Favored 'General case' 0 C--N 1.399 2.754 0 C-N-CA 124.966 1.307 . . . . 0.0 111.913 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.6 mtt -65.53 -38.66 90.3 Favored 'General case' 0 C--N 1.393 2.472 0 O-C-N 125.307 1.63 . . . . 0.0 110.764 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -69.51 -39.39 77.58 Favored 'General case' 0 C--N 1.383 2.054 0 C-N-CA 124.678 1.191 . . . . 0.0 111.211 177.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -74.0 -46.61 42.54 Favored 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.45 -41.36 72.92 Favored 'General case' 0 N--CA 1.51 2.552 0 C-N-CA 124.105 0.962 . . . . 0.0 113.538 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.73 -36.7 76.08 Favored 'General case' 0 C--N 1.382 2.016 0 C-N-CA 124.224 1.01 . . . . 0.0 112.782 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 0.3 OUTLIER -78.23 -21.14 50.4 Favored 'General case' 0 C--N 1.384 2.068 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -74.37 -53.15 10.21 Favored 'General case' 0 C--O 1.273 2.304 0 CA-C-N 118.987 0.812 . . . . 0.0 112.97 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -72.3 -34.3 68.04 Favored 'General case' 0 C--N 1.391 2.376 0 CA-C-N 114.469 -1.242 . . . . 0.0 111.826 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -87.95 -9.96 51.97 Favored 'General case' 0 CA--C 1.577 1.988 0 C-N-CA 124.235 1.014 . . . . 0.0 112.934 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -63.97 -31.08 72.14 Favored 'General case' 0 N--CA 1.523 3.213 0 C-N-CA 124.854 1.262 . . . . 0.0 110.057 174.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -67.74 -14.87 63.31 Favored 'General case' 0 CA--C 1.583 2.248 0 C-N-CA 125.706 1.602 . . . . 0.0 113.691 175.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -96.49 -28.43 14.41 Favored 'General case' 0 C--N 1.393 2.469 0 C-N-CA 124.876 1.271 . . . . 0.0 109.675 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.93 33.68 17.85 Favored 'General case' 0 N--CA 1.522 3.172 0 C-N-CA 128.307 2.643 . . . . 0.0 115.632 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.21 142.7 36.03 Favored Pre-proline 0 CA--C 1.577 2.005 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -65.91 -11.06 29.27 Favored 'Trans proline' 1 C--N 1.425 4.597 0 C-N-CA 123.638 2.892 . . . . 0.0 116.41 177.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -69.85 -33.37 72.18 Favored 'General case' 0 N--CA 1.529 3.487 0 C-N-CA 124.461 1.104 . . . . 0.0 113.903 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.5 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -78.48 -30.35 47.28 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.317 1.847 . . . . 0.0 109.998 -178.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.45 70.55 Favored 'General case' 0 C--N 1.381 1.95 0 C-N-CA 124.826 1.25 . . . . 0.0 109.307 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -72.63 -30.87 64.69 Favored 'General case' 0 CA--C 1.58 2.12 0 C-N-CA 124.31 1.044 . . . . 0.0 111.344 173.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -77.24 -44.65 29.13 Favored 'General case' 0 C--N 1.399 2.725 0 C-N-CA 124.908 1.283 . . . . 0.0 113.622 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.2 mp -67.9 -42.25 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 C-N-CA 126.659 1.983 . . . . 0.0 111.827 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 36.7 m -62.95 -39.69 95.38 Favored 'General case' 0 CA--C 1.584 2.254 0 C-N-CA 125.712 1.605 . . . . 0.0 110.739 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.67 92.72 Favored 'General case' 0 N--CA 1.509 2.489 0 C-N-CA 124.833 1.253 . . . . 0.0 112.127 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.74 -28.53 62.7 Favored 'General case' 0 C--N 1.384 2.076 0 C-N-CA 125.126 1.371 . . . . 0.0 111.496 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.49 -31.98 69.32 Favored 'General case' 0 C--N 1.393 2.469 0 C-N-CA 126.074 1.75 . . . . 0.0 111.54 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -76.06 -34.69 59.6 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 125.661 1.584 . . . . 0.0 109.659 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 155' ' ' CYS . 24.3 mmt180 -71.81 -33.55 68.62 Favored 'General case' 0 C--N 1.386 2.17 0 C-N-CA 125.446 1.499 . . . . 0.0 112.741 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.3 -40.75 94.19 Favored 'General case' 0 C--N 1.38 1.9 0 C-N-CA 124.73 1.212 . . . . 0.0 109.781 174.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.4 p -76.12 -38.47 56.81 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 124.079 0.862 . . . . 0.0 112.74 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -74.22 -27.86 60.98 Favored 'General case' 0 N--CA 1.514 2.775 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 151' ' ' ARG . 2.1 t -74.15 -40.01 62.88 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 124.136 0.974 . . . . 0.0 110.783 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -30.85 65.61 Favored 'General case' 0 N--CA 1.504 2.242 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.99 -50.33 13.41 Favored 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.03 83.98 Favored 'General case' 0 C--N 1.375 1.717 0 C-N-CA 125.422 1.489 . . . . 0.0 112.877 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 20.2 mt -71.49 -37.28 63.71 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.986 0 C-N-CA 124.724 1.21 . . . . 0.0 111.02 176.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.0 99.63 Favored 'General case' 0 C--N 1.396 2.625 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -72.8 -45.91 56.01 Favored 'General case' 0 N--CA 1.51 2.54 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 21.3 p -74.63 -42.67 58.16 Favored 'General case' 0 N--CA 1.509 2.496 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -74.61 -35.73 62.94 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.88 -32.89 70.01 Favored 'General case' 0 N--CA 1.512 2.641 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.95 -36.05 72.44 Favored 'General case' 0 C--N 1.38 1.904 0 O-C-N 124.517 1.135 . . . . 0.0 110.56 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.8 mt -71.96 -36.26 69.79 Favored 'General case' 0 C--N 1.391 2.398 0 C-N-CA 125.515 1.526 . . . . 0.0 111.793 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -73.12 -21.55 60.71 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 125.407 1.483 . . . . 0.0 113.363 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.378 1.82 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 N--CA 1.527 3.474 0 N-CA-C 114.319 0.853 . . . . 0.0 114.319 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt -98.52 -43.44 6.87 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 123.355 0.662 . . . . 0.0 112.426 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.56 -35.57 58.13 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 125.232 1.413 . . . . 0.0 112.257 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -31.97 68.57 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 124.663 1.185 . . . . 0.0 111.027 178.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -69.04 -37.38 78.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 124.802 1.314 . . . . 0.0 111.683 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.0 m -71.4 -41.21 69.87 Favored 'General case' 0 C--N 1.387 2.212 0 C-N-CA 123.598 0.759 . . . . 0.0 111.023 176.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -57.49 -44.7 85.15 Favored 'General case' 0 C--N 1.39 2.368 0 O-C-N 124.445 1.091 . . . . 0.0 112.277 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -65.37 -40.06 93.08 Favored 'General case' 0 C--N 1.396 2.614 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -69.67 -37.32 76.64 Favored 'General case' 0 C--N 1.377 1.767 0 CA-C-O 117.398 -1.287 . . . . 0.0 110.839 178.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.71 -30.54 71.49 Favored 'General case' 0 N--CA 1.509 2.504 0 C-N-CA 123.934 0.894 . . . . 0.0 111.889 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.58 -46.73 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.421 0 C-N-CA 125.251 1.421 . . . . 0.0 110.912 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.23 -28.07 64.97 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 123.632 0.773 . . . . 0.0 111.581 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.97 94.51 Favored 'General case' 0 N--CA 1.513 2.683 0 C-N-CA 125.974 1.71 . . . . 0.0 110.546 170.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -71.65 -34.73 70.0 Favored 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 124.889 1.275 . . . . 0.0 111.299 176.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -61.47 -42.95 99.57 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 126.92 2.088 . . . . 0.0 112.22 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.78 -17.49 47.47 Favored 'General case' 0 N--CA 1.513 2.69 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mp -94.39 -13.63 26.11 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 126.137 1.775 . . . . 0.0 111.507 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.0 mt -110.01 -22.43 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.344 0 C-N-CA 124.923 1.289 . . . . 0.0 108.568 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -22.51 -86.05 0.01 OUTLIER Glycine 0 C--N 1.39 3.563 0 C-N-CA 128.48 2.943 . . . . 0.0 118.82 -175.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.47 -15.9 38.45 Favored 'Trans proline' 0 C--N 1.41 3.775 0 CA-C-N 121.448 2.624 . . . . 0.0 117.337 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.76 -41.86 64.62 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 -177.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.597 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 178.296 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 122.271 1.034 . . . . 0.0 112.766 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -85.19 -3.11 58.7 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-N 112.885 -1.961 . . . . 0.0 113.868 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -80.27 -30.55 38.39 Favored 'General case' 0 C--N 1.377 1.792 0 C-N-CA 122.991 0.517 . . . . 0.0 111.672 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.53 -1.29 44.32 Favored 'General case' 0 C--N 1.387 2.228 0 O-C-N 123.793 0.683 . . . . 0.0 112.515 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.51 153.97 35.96 Favored 'General case' 0 C--N 1.38 1.927 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.51 105.65 9.56 Favored 'General case' 0 C--N 1.382 2.012 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 173.13 176.38 0.11 Allowed 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 112.968 -1.924 . . . . 0.0 108.908 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -83.77 -38.77 20.89 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.28 83.4 0.06 OUTLIER Glycine 0 N--CA 1.509 3.565 0 N-CA-C 119.909 2.724 . . . . 0.0 119.909 170.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.23 -23.59 2.4 Favored 'General case' 0 CA--C 1.565 1.546 0 CA-C-N 119.518 1.659 . . . . 0.0 108.398 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.537 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 74.5 ttt180 -120.03 151.96 38.22 Favored 'General case' 0 C--N 1.394 2.537 0 C-N-CA 125.959 1.703 . . . . 0.0 110.573 -178.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.21 -17.48 62.51 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 124.089 0.956 . . . . 0.0 111.428 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.537 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.23 -42.93 95.63 Favored Glycine 0 C--N 1.389 3.481 0 C-N-CA 124.37 0.986 . . . . 0.0 114.397 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -75.34 -24.43 57.35 Favored 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 124.495 1.118 . . . . 0.0 112.387 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -81.95 -30.28 31.8 Favored 'General case' 0 N--CA 1.5 2.054 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.989 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.42 -38.0 56.22 Favored 'General case' 0 C--N 1.372 1.549 0 C-N-CA 125.311 1.445 . . . . 0.0 112.507 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -31.16 70.59 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 125.36 1.464 . . . . 0.0 111.326 177.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -78.97 -29.56 43.97 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 123.555 0.742 . . . . 0.0 109.854 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.13 -38.73 69.18 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 113.822 -1.535 . . . . 0.0 111.539 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.26 -40.53 94.07 Favored 'General case' 0 N--CA 1.507 2.387 0 C-N-CA 125.083 1.353 . . . . 0.0 110.635 174.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.68 -25.85 61.4 Favored 'General case' 0 C--N 1.38 1.897 0 C-N-CA 126.677 1.991 . . . . 0.0 113.684 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.9 m -78.74 -32.24 46.63 Favored 'General case' 0 N--CA 1.501 2.116 0 C-N-CA 123.499 0.719 . . . . 0.0 110.378 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.6 tp -73.2 -41.08 64.22 Favored 'General case' 0 C--N 1.383 2.054 0 C-N-CA 125.083 1.353 . . . . 0.0 110.574 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.6 p -71.02 -31.28 67.73 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 125.348 1.459 . . . . 0.0 113.393 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -76.33 -38.36 56.05 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 123.821 0.848 . . . . 0.0 113.019 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.39 -33.79 73.57 Favored 'General case' 0 C--N 1.389 2.318 0 C-N-CA 124.394 1.078 . . . . 0.0 111.44 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -34.14 77.28 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 126.38 1.872 . . . . 0.0 111.717 176.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.38 94.64 Favored 'General case' 0 C--N 1.39 2.363 0 C-N-CA 124.251 1.02 . . . . 0.0 111.93 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.33 -27.47 67.16 Favored 'General case' 0 C--N 1.395 2.571 0 C-N-CA 124.788 1.235 . . . . 0.0 112.951 174.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 76.9 t -64.34 -40.19 88.18 Favored 'Isoleucine or valine' 0 C--N 1.382 1.986 0 C-N-CA 125.671 1.588 . . . . 0.0 108.597 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -67.63 -15.82 63.85 Favored 'General case' 0 N--CA 1.508 2.448 0 C-N-CA 126.13 1.772 . . . . 0.0 112.386 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -80.28 -38.72 30.26 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 171.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.98 30.02 3.11 Favored Glycine 0 C--N 1.38 2.976 0 N-CA-C 116.295 1.278 . . . . 0.0 116.295 171.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.13 112.54 24.06 Favored 'General case' 0 C--N 1.376 1.742 0 CA-C-O 121.906 0.86 . . . . 0.0 109.851 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.88 -27.74 64.03 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 113.16 -1.836 . . . . 0.0 112.965 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.45 -30.79 63.42 Favored 'General case' 0 CA--C 1.578 2.023 0 C-N-CA 123.415 0.686 . . . . 0.0 112.137 176.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -77.91 -22.7 49.27 Favored 'General case' 0 C--N 1.394 2.517 0 C-N-CA 124.263 1.025 . . . . 0.0 112.057 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.5 t -76.84 -48.36 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 126.168 1.787 . . . . 0.0 109.508 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.53 84.64 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 127.479 2.312 . . . . 0.0 112.512 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.92 -44.75 95.22 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 125.358 1.463 . . . . 0.0 109.086 172.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.12 -39.56 94.29 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 124.671 1.232 . . . . 0.0 111.188 174.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.36 95.05 Favored 'General case' 0 N--CA 1.513 2.721 0 C-N-CA 125.198 1.399 . . . . 0.0 112.585 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -70.19 -36.74 74.82 Favored 'General case' 0 N--CA 1.519 3.009 0 C-N-CA 126.069 1.748 . . . . 0.0 110.704 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.4 -29.48 64.97 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 125.667 1.587 . . . . 0.0 110.653 173.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.43 -45.7 65.35 Favored 'General case' 0 CA--C 1.573 1.843 0 C-N-CA 124.806 1.242 . . . . 0.0 111.781 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.29 -39.76 81.99 Favored 'General case' 0 C--N 1.387 2.235 0 C-N-CA 125.097 1.359 . . . . 0.0 112.823 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.02 -36.69 82.69 Favored 'General case' 0 C--N 1.387 2.211 0 C-N-CA 126.003 1.721 . . . . 0.0 112.082 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -74.1 -27.58 60.95 Favored 'General case' 0 C--N 1.376 1.728 0 C-N-CA 123.719 0.807 . . . . 0.0 112.627 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 80' ' ' ALA . 32.8 mt -62.95 -46.03 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.463 0 O-C-N 123.504 0.502 . . . . 0.0 109.734 175.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.71 -44.73 80.89 Favored 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 124.507 1.123 . . . . 0.0 112.182 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.77 -44.23 56.66 Favored 'General case' 0 C--N 1.378 1.832 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -177.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.58 -44.38 12.69 Favored 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -175.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -67.62 -38.67 84.24 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 123.927 0.767 . . . . 0.0 112.661 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -79.07 -39.02 34.9 Favored 'General case' 0 C--N 1.388 2.268 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -73.3 -31.19 63.89 Favored 'General case' 0 N--CA 1.514 2.768 0 CA-C-N 118.791 0.723 . . . . 0.0 110.627 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.74 -29.15 61.07 Favored 'General case' 0 C--N 1.386 2.171 0 C-N-CA 123.775 0.83 . . . . 0.0 109.372 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.26 -30.67 67.78 Favored 'General case' 0 C--N 1.412 3.299 0 C-N-CA 125.051 1.34 . . . . 0.0 114.411 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.1 p -88.66 -21.32 24.0 Favored 'General case' 0 N--CA 1.503 2.175 0 CA-C-N 119.648 1.113 . . . . 0.0 110.114 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.7 -16.84 59.4 Favored 'General case' 0 C--N 1.386 2.154 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.231 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 38.9 p -61.84 -29.28 70.07 Favored 'General case' 0 C--N 1.405 2.992 0 C-N-CA 125.717 1.607 . . . . 0.0 113.679 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 N--CA 1.506 2.329 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 179.367 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 111.371 0.137 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.8 mt -72.92 -38.48 66.83 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 124.37 1.068 . . . . 0.0 111.554 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -71.93 -28.17 63.29 Favored 'General case' 0 C--N 1.384 2.068 0 C-N-CA 124.687 1.195 . . . . 0.0 109.287 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.29 78.75 Favored 'General case' 0 C--N 1.388 2.282 0 C-N-CA 125.586 1.554 . . . . 0.0 110.895 174.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.61 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 4.3 mpt_? -77.56 -50.47 12.51 Favored 'General case' 0 C--N 1.393 2.494 0 C-N-CA 123.607 0.763 . . . . 0.0 110.268 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mp -58.59 -61.0 2.93 Favored 'General case' 0 CA--C 1.593 2.613 0 O-C-N 124.092 0.87 . . . . 0.0 113.315 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.36 -47.63 8.64 Favored 'General case' 0 C--N 1.384 2.085 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -72.32 -36.52 68.89 Favored 'General case' 0 N--CA 1.513 2.694 0 N-CA-C 114.49 1.292 . . . . 0.0 114.49 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.61 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 7.0 m-85 -70.57 -39.22 74.03 Favored 'General case' 0 C--N 1.391 2.402 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.144 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -69.75 -35.49 75.01 Favored 'General case' 0 C--N 1.397 2.649 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -64.13 -40.92 97.21 Favored 'General case' 0 N--CA 1.523 3.218 0 C-N-CA 124.765 1.226 . . . . 0.0 113.791 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -68.63 -35.94 77.97 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 124.418 1.087 . . . . 0.0 112.281 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.51 -36.3 80.78 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 125.068 1.347 . . . . 0.0 112.148 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -64.47 -41.27 96.6 Favored 'General case' 0 N--CA 1.509 2.48 0 C-N-CA 125.435 1.494 . . . . 0.0 114.563 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -73.52 -40.16 64.25 Favored 'General case' 0 N--CA 1.507 2.394 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.29 -32.65 71.41 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 123.344 0.403 . . . . 0.0 110.252 173.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.83 -32.96 70.18 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 125.081 1.352 . . . . 0.0 112.726 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.44 -38.05 83.92 Favored 'General case' 0 C--N 1.404 2.963 0 C-N-CA 125.314 1.446 . . . . 0.0 111.557 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.75 -38.55 91.38 Favored 'General case' 0 C--N 1.392 2.438 0 O-C-N 125.064 1.478 . . . . 0.0 110.726 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -69.55 -38.38 77.43 Favored 'General case' 0 C--N 1.383 2.036 0 C-N-CA 125.158 1.383 . . . . 0.0 110.854 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -73.64 -46.3 47.59 Favored 'General case' 0 N--CA 1.511 2.611 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.03 -40.73 78.43 Favored 'General case' 0 N--CA 1.514 2.771 0 C-N-CA 124.463 1.105 . . . . 0.0 113.209 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.51 -35.33 77.33 Favored 'General case' 0 C--N 1.383 2.024 0 C-N-CA 124.369 1.068 . . . . 0.0 111.829 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 24.9 tt0 -72.74 -26.2 61.48 Favored 'General case' 0 C--N 1.384 2.099 0 CA-C-O 118.075 -0.964 . . . . 0.0 113.164 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -71.28 -53.36 14.57 Favored 'General case' 0 C--O 1.276 2.473 0 CA-C-N 119.133 0.879 . . . . 0.0 113.21 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.22 -34.41 65.89 Favored 'General case' 0 C--N 1.388 2.246 0 CA-C-N 113.661 -1.609 . . . . 0.0 112.353 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.537 ' HB3' HD22 ' A' ' 141' ' ' LEU . 70.2 m-85 -88.1 -12.02 45.36 Favored 'General case' 0 CA--C 1.575 1.933 0 C-N-CA 124.263 1.025 . . . . 0.0 113.065 178.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -63.06 -33.6 75.78 Favored 'General case' 0 N--CA 1.525 3.29 0 C-N-CA 125.011 1.325 . . . . 0.0 110.734 175.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.48 -15.85 63.89 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 125.628 1.571 . . . . 0.0 114.041 176.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -95.16 -29.06 14.74 Favored 'General case' 0 C--N 1.39 2.34 0 C-N-CA 124.336 1.055 . . . . 0.0 109.766 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 51.28 25.44 2.5 Favored 'General case' 0 N--CA 1.523 3.21 0 C-N-CA 128.305 2.642 . . . . 0.0 117.087 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.58 146.58 41.98 Favored Pre-proline 0 CA--C 1.586 2.338 0 CA-C-O 118.565 -0.731 . . . . 0.0 112.301 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.27 -12.03 12.18 Favored 'Trans proline' 1 C--N 1.43 4.851 0 C-N-CA 124.47 3.447 . . . . 0.0 118.077 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -71.24 -31.22 67.28 Favored 'General case' 0 N--CA 1.531 3.599 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -175.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 133' ' ' TYR . 0.0 OUTLIER -78.17 -30.28 49.03 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 125.824 1.65 . . . . 0.0 110.288 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.32 -32.96 70.94 Favored 'General case' 0 C--N 1.391 2.399 0 C-N-CA 124.908 1.283 . . . . 0.0 110.041 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -71.35 -33.83 69.95 Favored 'General case' 0 CA--C 1.578 2.044 0 C-N-CA 123.806 0.842 . . . . 0.0 110.768 174.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.98 -44.03 66.82 Favored 'General case' 0 N--CA 1.515 2.78 0 C-N-CA 125.273 1.429 . . . . 0.0 114.591 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 141' ' ' LEU . 3.0 mt -68.76 -42.0 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.318 0 C-N-CA 125.248 1.419 . . . . 0.0 109.852 177.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.4 m -60.86 -40.32 92.48 Favored 'General case' 0 CA--C 1.587 2.383 0 C-N-CA 125.915 1.686 . . . . 0.0 111.324 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.93 94.51 Favored 'General case' 0 N--CA 1.51 2.572 0 C-N-CA 124.933 1.293 . . . . 0.0 112.341 176.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.5 -29.37 63.56 Favored 'General case' 0 C--N 1.384 2.07 0 C-N-CA 125.194 1.398 . . . . 0.0 111.558 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -34.92 78.17 Favored 'General case' 0 C--N 1.39 2.329 0 C-N-CA 126.009 1.724 . . . . 0.0 112.641 177.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -74.6 -34.94 62.94 Favored 'General case' 0 C--N 1.389 2.296 0 C-N-CA 125.166 1.386 . . . . 0.0 109.928 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -70.44 -33.96 71.91 Favored 'General case' 0 C--N 1.387 2.209 0 C-N-CA 125.713 1.605 . . . . 0.0 112.537 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.76 -40.4 97.15 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 124.58 1.152 . . . . 0.0 109.873 174.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.0 p -77.93 -39.94 41.22 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -71.86 -35.35 69.78 Favored 'General case' 0 N--CA 1.513 2.72 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 90.7 m -72.17 -38.11 69.2 Favored 'General case' 0 C--N 1.38 1.908 0 C-N-CA 123.793 0.837 . . . . 0.0 111.295 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -37.84 88.9 Favored 'General case' 0 CA--C 1.588 2.423 0 C-N-CA 125.175 1.39 . . . . 0.0 112.768 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.8 m -71.38 -42.67 68.11 Favored 'General case' 0 CA--C 1.579 2.085 0 C-N-CA 125.258 1.423 . . . . 0.0 112.027 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.94 88.44 Favored 'General case' 0 C--N 1.38 1.93 0 C-N-CA 125.966 1.707 . . . . 0.0 113.534 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 39.3 mt -69.54 -39.6 78.64 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.264 0 C-N-CA 125.586 1.555 . . . . 0.0 110.429 176.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.51 95.02 Favored 'General case' 0 C--N 1.387 2.219 0 C-N-CA 124.728 1.211 . . . . 0.0 113.912 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.1 -39.57 86.74 Favored 'General case' 0 N--CA 1.515 2.811 0 C-N-CA 125.064 1.346 . . . . 0.0 113.453 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 13.0 p -70.3 -30.45 67.45 Favored 'General case' 0 N--CA 1.507 2.423 0 C-N-CA 124.289 1.035 . . . . 0.0 112.253 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -74.25 -26.92 60.5 Favored 'General case' 0 C--N 1.381 1.963 0 C-N-CA 124.637 1.175 . . . . 0.0 112.224 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.83 -38.16 79.66 Favored 'General case' 0 N--CA 1.515 2.805 0 C-N-CA 124.974 1.31 . . . . 0.0 112.591 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.26 -32.94 70.99 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.511 1.124 . . . . 0.0 110.18 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.8 -28.75 63.81 Favored 'General case' 0 C--N 1.388 2.256 0 C-N-CA 125.33 1.452 . . . . 0.0 111.759 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -71.79 -26.3 62.36 Favored 'General case' 0 C--N 1.384 2.074 0 C-N-CA 125.33 1.452 . . . . 0.0 113.132 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.575 1.937 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo . . . . . 0 N--CA 1.522 3.177 0 N-CA-C 114.998 1.115 . . . . 0.0 114.998 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mt -99.42 -47.58 5.09 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 123.51 0.724 . . . . 0.0 111.74 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.44 -37.23 52.06 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 125.249 1.419 . . . . 0.0 112.597 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -33.33 72.22 Favored 'General case' 0 C--N 1.379 1.873 0 C-N-CA 124.126 0.971 . . . . 0.0 110.39 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -68.49 -36.01 78.34 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 124.49 1.119 . . . . 0.0 111.675 177.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.7 m -72.96 -40.7 65.13 Favored 'General case' 0 C--N 1.38 1.925 0 C-N-CA 123.728 0.811 . . . . 0.0 110.902 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.36 -43.51 92.84 Favored 'General case' 0 C--N 1.389 2.321 0 O-C-N 124.362 1.039 . . . . 0.0 112.337 174.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -64.5 -40.43 95.63 Favored 'General case' 0 C--N 1.401 2.834 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -69.94 -36.08 75.01 Favored 'General case' 0 C--N 1.377 1.788 0 CA-C-O 117.828 -1.082 . . . . 0.0 110.755 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -63.18 -29.56 70.88 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 124.003 0.921 . . . . 0.0 111.836 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.4 t -76.08 -47.52 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.425 0 C-N-CA 125.837 1.655 . . . . 0.0 111.14 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.46 -29.18 66.8 Favored 'General case' 0 N--CA 1.506 2.327 0 CA-C-N 119.008 0.822 . . . . 0.0 111.66 175.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.5 90.68 Favored 'General case' 0 N--CA 1.514 2.768 0 C-N-CA 125.379 1.471 . . . . 0.0 110.586 172.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.91 -34.42 66.62 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 124.336 1.055 . . . . 0.0 110.884 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -59.7 -42.04 92.1 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 127.064 2.145 . . . . 0.0 111.548 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.39 -15.49 59.93 Favored 'General case' 0 N--CA 1.501 2.125 0 C-N-CA 124.999 1.319 . . . . 0.0 114.019 177.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.4 -20.16 17.3 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 124.209 1.004 . . . . 0.0 109.433 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.6 14.54 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 C-N-CA 126.911 2.084 . . . . 0.0 112.45 178.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.78 -74.23 0.47 Allowed Glycine 0 N--CA 1.493 2.441 0 CA-C-O 116.831 -2.094 . . . . 0.0 113.995 -172.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -67.11 -0.72 5.15 Favored 'Trans proline' 1 C--N 1.416 4.113 0 CA-C-N 121.734 2.767 . . . . 0.0 115.41 177.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 mt -88.49 -14.57 37.48 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 125.664 1.586 . . . . 0.0 112.6 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.495 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.51 2.565 0 C-N-CA 126.905 2.082 . . . . 0.0 116.028 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.975 0 CA-C-O 123.286 1.517 . . . . 0.0 108.683 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -87.22 -2.13 58.4 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 112.194 -2.275 . . . . 0.0 113.148 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -79.49 -15.22 58.14 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.32 1.048 . . . . 0.0 111.253 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.35 -5.46 59.15 Favored 'General case' 0 C--N 1.39 2.354 0 C-N-CA 123.928 0.891 . . . . 0.0 112.239 176.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.62 158.02 28.29 Favored 'General case' 0 C--N 1.377 1.802 0 C-N-CA 126.136 1.775 . . . . 0.0 108.046 177.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.44 108.9 14.67 Favored 'General case' 0 C--N 1.381 1.953 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.2 t -160.5 163.57 32.77 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 112.101 -2.318 . . . . 0.0 107.674 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -106.12 -26.03 11.78 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.946 0.898 . . . . 0.0 111.441 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.25 83.81 1.66 Allowed Glycine 0 N--CA 1.499 2.835 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.64 -48.18 1.16 Allowed 'General case' 0 C--N 1.377 1.797 0 CA-C-N 117.585 0.693 . . . . 0.0 109.993 -175.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.486 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 66.0 ttt180 -175.3 171.22 2.94 Favored 'General case' 0 C--N 1.407 3.099 0 C-N-CA 127.867 2.467 . . . . 0.0 111.07 -173.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.495 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 2.2 mt -67.36 -23.74 65.63 Favored 'General case' 0 N--CA 1.538 3.951 0 C-N-CA 125.099 1.36 . . . . 0.0 109.976 170.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.486 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.99 -38.16 92.48 Favored Glycine 0 N--CA 1.502 3.051 0 C-N-CA 125.839 1.685 . . . . 0.0 115.076 177.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -41.15 73.35 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 123.28 0.632 . . . . 0.0 111.807 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -62.74 -34.8 77.93 Favored 'General case' 0 N--CA 1.508 2.448 0 O-C-N 124.674 1.234 . . . . 0.0 111.647 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.72 -40.24 49.31 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.473 1.509 . . . . 0.0 114.074 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -31.16 68.43 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 125.118 1.367 . . . . 0.0 111.594 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -80.99 -29.15 35.28 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 123.871 0.868 . . . . 0.0 109.6 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.96 -38.42 66.73 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.299 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.49 -39.45 85.21 Favored 'General case' 0 CA--C 1.577 2.017 0 C-N-CA 124.95 1.3 . . . . 0.0 110.388 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -71.85 -24.63 61.72 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 126.808 2.043 . . . . 0.0 112.753 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.28 -32.04 43.53 Favored 'General case' 0 C--N 1.38 1.926 0 C-N-CA 123.5 0.72 . . . . 0.0 109.214 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.423 HD11 HD11 ' A' ' 123' ' ' LEU . 16.8 tp -72.0 -40.48 68.49 Favored 'General case' 0 C--N 1.382 2.017 0 C-N-CA 125.802 1.641 . . . . 0.0 110.774 177.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.4 p -70.42 -32.08 69.55 Favored 'General case' 0 N--CA 1.508 2.452 0 C-N-CA 125.255 1.422 . . . . 0.0 113.144 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -75.3 -33.9 61.24 Favored 'General case' 0 N--CA 1.509 2.488 0 C-N-CA 123.719 0.808 . . . . 0.0 112.899 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -71.33 -30.38 66.12 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 124.689 1.196 . . . . 0.0 111.454 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -69.46 -32.94 72.17 Favored 'General case' 0 C--N 1.385 2.135 0 C-N-CA 125.777 1.631 . . . . 0.0 111.497 176.584 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.42 -41.55 96.53 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 124.237 1.015 . . . . 0.0 110.502 177.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.71 -29.67 68.98 Favored 'General case' 0 C--N 1.394 2.514 0 C-N-CA 125.716 1.607 . . . . 0.0 115.124 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 61' ' ' GLU . 21.0 m -69.57 -30.2 44.3 Favored 'Isoleucine or valine' 0 C--N 1.394 2.529 0 CA-C-O 121.952 0.882 . . . . 0.0 111.646 178.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -70.27 -12.4 61.56 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 112.415 -2.175 . . . . 0.0 111.612 172.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -88.42 -38.19 15.26 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 107.84 -1.171 . . . . 0.0 107.84 172.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.01 35.3 1.52 Allowed Glycine 0 C--N 1.386 3.311 0 N-CA-C 116.909 1.523 . . . . 0.0 116.909 171.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.25 107.18 19.59 Favored 'General case' 0 C--N 1.374 1.643 0 CA-C-O 121.738 0.78 . . . . 0.0 109.12 177.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.32 -21.63 61.3 Favored 'General case' 0 N--CA 1.504 2.225 0 CA-C-N 113.738 -1.574 . . . . 0.0 112.599 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.5 m -71.29 -37.47 71.85 Favored 'General case' 0 CA--C 1.571 1.778 0 C-N-CA 125.169 1.388 . . . . 0.0 110.102 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.74 -22.34 58.85 Favored 'General case' 0 C--N 1.394 2.518 0 C-N-CA 124.678 1.191 . . . . 0.0 111.898 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.0 t -74.96 -50.27 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 126.473 1.909 . . . . 0.0 109.313 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.98 85.45 Favored 'General case' 0 C--N 1.379 1.855 0 C-N-CA 126.838 2.055 . . . . 0.0 113.052 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -64.39 -43.66 93.76 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 126.472 1.909 . . . . 0.0 110.442 174.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.48 -35.55 68.21 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.214 1.005 . . . . 0.0 110.81 176.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.07 92.6 Favored 'General case' 0 N--CA 1.511 2.589 0 C-N-CA 124.312 1.045 . . . . 0.0 112.594 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.79 -38.26 73.36 Favored 'General case' 0 N--CA 1.516 2.831 0 C-N-CA 125.697 1.599 . . . . 0.0 111.781 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -71.11 -29.37 65.17 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 125.512 1.525 . . . . 0.0 110.439 174.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.5 -45.54 68.66 Favored 'General case' 0 C--N 1.378 1.811 0 C-N-CA 124.226 1.01 . . . . 0.0 112.009 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.12 -40.01 82.62 Favored 'General case' 0 C--N 1.385 2.14 0 C-N-CA 124.88 1.272 . . . . 0.0 113.2 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.66 -38.07 83.27 Favored 'General case' 0 C--N 1.389 2.286 0 C-N-CA 125.864 1.665 . . . . 0.0 112.538 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -73.35 -27.49 61.52 Favored 'General case' 0 C--N 1.376 1.719 0 C-N-CA 123.882 0.873 . . . . 0.0 112.861 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 80' ' ' ALA . 33.4 mt -63.6 -45.63 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.445 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 175.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.68 -45.14 83.98 Favored 'General case' 0 N--CA 1.505 2.287 0 C-N-CA 124.446 1.098 . . . . 0.0 112.303 -178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.56 -45.5 52.99 Favored 'General case' 0 C--N 1.379 1.858 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.9 mp -85.56 -42.12 14.67 Favored 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 115.705 1.742 . . . . 0.0 115.705 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 2.1 mt-30 -67.48 -38.31 84.2 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-O 118.871 -0.585 . . . . 0.0 111.982 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -79.07 -41.51 28.55 Favored 'General case' 0 CA--C 1.586 2.343 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -71.95 -35.77 69.69 Favored 'General case' 0 N--CA 1.516 2.868 0 C-N-CA 123.489 0.716 . . . . 0.0 110.761 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.43 -29.09 62.34 Favored 'General case' 0 C--N 1.384 2.105 0 C-N-CA 124.007 0.923 . . . . 0.0 110.175 175.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.89 -35.88 77.41 Favored 'General case' 0 C--N 1.411 3.255 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -84.31 -21.16 31.1 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 119.897 1.226 . . . . 0.0 110.396 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.47 -33.28 66.9 Favored 'General case' 0 C--N 1.388 2.256 0 CA-C-N 113.948 -1.478 . . . . 0.0 112.49 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.15 -9.12 59.03 Favored 'General case' 0 C--N 1.392 2.452 0 C-N-CA 124.168 0.987 . . . . 0.0 112.779 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.495 1.783 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 . . . . . 0 N--CA 1.507 2.403 0 CA-C-O 120.704 0.287 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 72.8 mt -71.04 -28.68 64.56 Favored 'General case' 0 C--N 1.384 2.1 0 C-N-CA 126.366 1.866 . . . . 0.0 111.684 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -69.31 -33.3 72.96 Favored 'General case' 0 C--N 1.379 1.891 0 C-N-CA 124.6 1.16 . . . . 0.0 110.957 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.17 -38.29 87.71 Favored 'General case' 0 C--N 1.393 2.469 0 C-N-CA 126.083 1.753 . . . . 0.0 111.164 174.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 7.5 mpt_? -71.88 -48.78 43.38 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 124.438 1.095 . . . . 0.0 111.029 175.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.95 -60.84 2.91 Favored 'General case' 0 CA--C 1.604 3.031 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.67 -43.3 18.72 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 41.8 mt-10 -72.15 -32.65 67.08 Favored 'General case' 0 N--CA 1.51 2.525 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.493 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.0 m-85 -67.2 -40.0 86.42 Favored 'General case' 0 C--N 1.394 2.509 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.693 177.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -66.5 -39.33 88.66 Favored 'General case' 0 C--N 1.393 2.472 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.63 -42.59 86.5 Favored 'General case' 0 N--CA 1.522 3.168 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -69.61 -36.51 76.25 Favored 'General case' 0 N--CA 1.507 2.379 0 C-N-CA 124.324 1.05 . . . . 0.0 112.387 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -70.96 -27.73 63.95 Favored 'General case' 0 C--N 1.38 1.928 0 C-N-CA 124.952 1.301 . . . . 0.0 112.078 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -66.6 -45.55 78.82 Favored 'General case' 0 N--CA 1.506 2.36 0 C-N-CA 125.643 1.577 . . . . 0.0 114.33 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -72.88 -39.24 66.6 Favored 'General case' 0 N--CA 1.511 2.621 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 176.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.24 -33.16 71.9 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 123.779 0.674 . . . . 0.0 110.354 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.423 HD11 HD11 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -70.83 -33.9 71.14 Favored 'General case' 0 C--N 1.38 1.9 0 C-N-CA 125.111 1.364 . . . . 0.0 112.535 175.869 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.75 92.04 Favored 'General case' 0 C--N 1.41 3.196 0 C-N-CA 125.61 1.564 . . . . 0.0 111.639 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.38 -38.96 92.87 Favored 'General case' 0 C--N 1.388 2.26 0 O-C-N 125.081 1.488 . . . . 0.0 110.42 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -69.5 -36.51 76.56 Favored 'General case' 0 C--N 1.388 2.265 0 C-N-CA 124.863 1.265 . . . . 0.0 110.361 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -65.54 -37.74 87.59 Favored 'General case' 0 C--N 1.398 2.691 0 C-N-CA 125.12 1.368 . . . . 0.0 114.341 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.12 -40.01 82.62 Favored 'General case' 0 N--CA 1.509 2.492 0 C-N-CA 124.297 1.039 . . . . 0.0 111.614 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -76.04 -23.01 55.09 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 124.579 1.152 . . . . 0.0 112.532 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -71.92 -34.62 69.23 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 125.534 1.533 . . . . 0.0 111.021 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -66.92 -39.19 87.3 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 124.94 1.296 . . . . 0.0 110.385 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -69.41 -36.55 76.83 Favored 'General case' 0 C--N 1.389 2.303 0 C-N-CA 125.125 1.37 . . . . 0.0 111.894 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -69.23 -35.69 76.42 Favored 'General case' 0 C--N 1.394 2.533 0 C-N-CA 124.765 1.226 . . . . 0.0 111.748 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.6 91.67 Favored 'General case' 0 CA--C 1.571 1.757 0 C-N-CA 125.174 1.39 . . . . 0.0 113.43 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -90.51 -39.31 12.66 Favored 'General case' 0 C--N 1.385 2.143 0 N-CA-C 116.312 1.967 . . . . 0.0 116.312 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -107.39 -30.33 8.74 Favored 'General case' 0 C--N 1.395 2.56 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -174.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 39.6 m80 56.35 28.4 13.42 Favored 'General case' 0 N--CA 1.531 3.601 0 C-N-CA 127.444 2.297 . . . . 0.0 116.349 -178.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.16 142.23 59.06 Favored Pre-proline 0 N--CA 1.503 2.189 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.49 -14.44 35.19 Favored 'Trans proline' 1 C--N 1.435 5.124 0 C-N-CA 124.199 3.266 . . . . 0.0 116.619 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -69.34 -37.53 77.71 Favored 'General case' 0 N--CA 1.529 3.48 0 C-N-CA 124.653 1.181 . . . . 0.0 113.218 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -29.74 47.62 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 126.505 1.922 . . . . 0.0 109.858 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.53 76.14 Favored 'General case' 0 C--N 1.377 1.803 0 C-N-CA 126.801 2.041 . . . . 0.0 110.108 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.02 -34.06 72.79 Favored 'General case' 0 C--N 1.379 1.881 0 C-N-CA 124.223 1.009 . . . . 0.0 110.644 173.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.27 -42.55 65.44 Favored 'General case' 0 N--CA 1.512 2.654 0 C-N-CA 125.311 1.444 . . . . 0.0 114.538 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.7 mt -67.56 -42.72 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.282 0 C-N-CA 125.082 1.353 . . . . 0.0 109.117 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.5 m -62.54 -42.09 99.31 Favored 'General case' 0 CA--C 1.589 2.454 0 C-N-CA 125.945 1.698 . . . . 0.0 111.467 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.46 94.79 Favored 'General case' 0 N--CA 1.514 2.741 0 C-N-CA 124.687 1.195 . . . . 0.0 112.131 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 22.9 mt -72.67 -27.62 62.21 Favored 'General case' 0 C--N 1.38 1.915 0 C-N-CA 125.156 1.383 . . . . 0.0 111.882 176.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -35.5 81.06 Favored 'General case' 0 C--N 1.392 2.425 0 C-N-CA 125.874 1.669 . . . . 0.0 112.182 177.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -75.28 -35.94 61.26 Favored 'General case' 0 C--N 1.389 2.32 0 C-N-CA 124.563 1.145 . . . . 0.0 109.994 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -71.12 -34.86 71.46 Favored 'General case' 0 C--N 1.387 2.196 0 C-N-CA 125.53 1.532 . . . . 0.0 112.744 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.37 -38.36 90.75 Favored 'General case' 0 C--N 1.379 1.864 0 C-N-CA 124.876 1.27 . . . . 0.0 109.985 174.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.3 p -76.9 -37.92 54.51 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 123.841 0.713 . . . . 0.0 112.377 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -71.28 -33.99 70.27 Favored 'General case' 0 N--CA 1.514 2.77 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 78.5 m -71.25 -38.78 71.91 Favored 'General case' 0 C--N 1.386 2.179 0 C-N-CA 123.935 0.894 . . . . 0.0 110.771 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -59.88 -37.15 78.52 Favored 'General case' 0 C--N 1.396 2.589 0 C-N-CA 125.772 1.629 . . . . 0.0 112.384 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 14.1 m -67.95 -40.52 83.22 Favored 'General case' 0 CA--C 1.58 2.134 0 C-N-CA 125.529 1.532 . . . . 0.0 110.515 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.25 -37.36 80.69 Favored 'General case' 0 C--N 1.381 1.947 0 C-N-CA 126.266 1.826 . . . . 0.0 112.677 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 34.3 mt -67.31 -41.75 86.84 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.01 0 C-N-CA 126.391 1.877 . . . . 0.0 110.091 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.64 97.45 Favored 'General case' 0 C--N 1.388 2.273 0 C-N-CA 124.771 1.228 . . . . 0.0 113.551 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.53 -39.66 85.04 Favored 'General case' 0 N--CA 1.515 2.782 0 C-N-CA 125.151 1.38 . . . . 0.0 113.585 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 14.8 p -71.38 -32.39 68.43 Favored 'General case' 0 N--CA 1.509 2.523 0 C-N-CA 124.436 1.095 . . . . 0.0 112.085 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -71.96 -29.09 63.9 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 124.673 1.189 . . . . 0.0 111.583 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.82 -32.13 70.4 Favored 'General case' 0 N--CA 1.512 2.632 0 C-N-CA 125.208 1.403 . . . . 0.0 112.088 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.17 72.39 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 124.936 1.294 . . . . 0.0 111.448 175.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 2.1 mp -78.22 -32.31 49.76 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 125.743 1.617 . . . . 0.0 112.044 177.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -71.57 -30.86 66.33 Favored 'General case' 0 N--CA 1.515 2.796 0 C-N-CA 126.158 1.783 . . . . 0.0 113.664 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? . . . . . 0 C--N 1.389 2.283 0 C-N-CA 127.955 2.502 . . . . 0.0 113.853 -178.629 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo . . . . . 0 N--CA 1.525 3.35 0 N-CA-C 116.85 1.827 . . . . 0.0 116.85 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.96 -35.24 24.13 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 123.957 0.903 . . . . 0.0 111.548 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -36.21 53.57 Favored 'General case' 0 C--N 1.375 1.695 0 C-N-CA 125.338 1.455 . . . . 0.0 112.154 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -29.9 65.6 Favored 'General case' 0 C--N 1.378 1.847 0 C-N-CA 124.387 1.075 . . . . 0.0 110.295 177.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -65.52 -40.79 93.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 124.736 1.272 . . . . 0.0 111.75 176.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -70.08 -40.66 74.85 Favored 'General case' 0 C--N 1.387 2.209 0 C-N-CA 123.806 0.842 . . . . 0.0 110.984 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.33 -44.63 88.75 Favored 'General case' 0 C--N 1.386 2.164 0 O-C-N 124.409 1.068 . . . . 0.0 112.073 173.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -66.17 -39.28 89.64 Favored 'General case' 0 C--N 1.399 2.733 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -70.12 -38.73 75.64 Favored 'General case' 0 C--N 1.378 1.814 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.701 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -61.45 -32.87 72.86 Favored 'General case' 0 N--CA 1.503 2.189 0 C-N-CA 124.101 0.96 . . . . 0.0 111.756 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.2 t -75.12 -46.31 39.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 C-N-CA 125.526 1.53 . . . . 0.0 111.486 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -29.02 66.97 Favored 'General case' 0 N--CA 1.507 2.407 0 C-N-CA 124.058 0.943 . . . . 0.0 111.541 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.49 -39.54 81.27 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 125.609 1.564 . . . . 0.0 110.928 171.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.92 -39.19 69.65 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 124.612 1.165 . . . . 0.0 111.18 178.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -61.07 -38.59 86.77 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 126.973 2.109 . . . . 0.0 112.185 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.94 -30.76 67.15 Favored 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 123.421 0.688 . . . . 0.0 112.277 176.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.4 mp -79.33 -22.46 44.5 Favored 'General case' 0 N--CA 1.505 2.322 0 C-N-CA 125.636 1.574 . . . . 0.0 112.588 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.416 ' O ' HG22 ' A' ' 21' ' ' ILE . 38.7 mt -109.33 16.8 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.271 0 C-N-CA 128.089 2.556 . . . . 0.0 108.011 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.67 -76.03 0.33 Allowed Glycine 0 C--N 1.368 2.313 0 CA-C-O 116.835 -2.092 . . . . 0.0 113.786 -175.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -67.99 -2.1 8.15 Favored 'Trans proline' 0 C--N 1.412 3.914 0 CA-C-N 122.2 3.0 . . . . 0.0 116.842 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.64 -20.41 27.87 Favored 'General case' 0 N--CA 1.51 2.551 0 C-N-CA 125.201 1.4 . . . . 0.0 112.501 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.462 0 C-N-CA 128.257 2.623 . . . . 0.0 116.602 178.22 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 122.161 0.982 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -82.71 6.3 18.47 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 113.583 -1.644 . . . . 0.0 113.827 -176.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -79.62 -26.71 41.11 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 123.862 0.865 . . . . 0.0 110.454 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mt -100.03 -6.52 26.34 Favored 'General case' 0 C--N 1.391 2.412 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -119.43 155.26 32.35 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.57 109.16 13.43 Favored 'General case' 0 C--N 1.386 2.157 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.8 t -152.71 138.37 17.83 Favored 'General case' 0 C--O 1.252 1.218 0 CA-C-N 113.758 -1.564 . . . . 0.0 108.901 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -82.6 -31.52 28.87 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 113.927 -1.488 . . . . 0.0 112.889 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.84 79.3 1.33 Allowed Glycine 0 C--N 1.378 2.887 0 N-CA-C 107.557 -2.217 . . . . 0.0 107.557 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.9 -52.8 1.33 Allowed 'General case' 0 C--N 1.38 1.907 0 CA-C-O 121.083 0.468 . . . . 0.0 110.197 -173.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 45.4 ttt180 -175.88 173.18 2.34 Favored 'General case' 0 C--N 1.412 3.313 0 C-N-CA 126.891 2.076 . . . . 0.0 112.448 -174.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.02 -22.03 64.09 Favored 'General case' 0 N--CA 1.535 3.795 0 C-N-CA 125.779 1.632 . . . . 0.0 107.758 169.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.43 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.92 -34.39 78.24 Favored Glycine 0 C--N 1.38 2.99 0 C-N-CA 126.815 2.15 . . . . 0.0 114.443 176.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -21.07 57.79 Favored 'General case' 0 C--N 1.393 2.479 0 CA-C-N 117.65 0.725 . . . . 0.0 111.462 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -82.36 -31.88 29.57 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 114.495 -1.229 . . . . 0.0 110.764 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.44 -35.02 58.73 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 124.8 1.24 . . . . 0.0 111.707 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.45 -38.38 74.48 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 125.289 1.436 . . . . 0.0 111.176 176.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.32 -32.16 68.26 Favored 'General case' 0 C--N 1.388 2.281 0 C-N-CA 123.45 0.7 . . . . 0.0 111.604 177.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.04 71.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 125.229 1.581 . . . . 0.0 111.759 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.09 -36.41 72.19 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 123.389 0.676 . . . . 0.0 111.579 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -72.36 -26.28 61.85 Favored 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 125.59 1.556 . . . . 0.0 112.473 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.9 m -80.32 -29.32 38.09 Favored 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 123.799 0.84 . . . . 0.0 109.751 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mp -73.23 -41.99 63.09 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 125.268 1.427 . . . . 0.0 111.023 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.7 p -72.57 -34.98 67.84 Favored 'General case' 0 N--CA 1.506 2.354 0 C-N-CA 125.687 1.595 . . . . 0.0 113.608 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -77.25 -36.66 54.27 Favored 'General case' 0 N--CA 1.51 2.527 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.03 -30.77 65.52 Favored 'General case' 0 C--N 1.389 2.293 0 C-N-CA 124.811 1.244 . . . . 0.0 111.918 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.5 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -68.79 -32.94 73.03 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 125.684 1.593 . . . . 0.0 111.965 176.447 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.75 -41.07 92.59 Favored 'General case' 0 C--N 1.382 2.01 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.748 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.72 -29.82 70.4 Favored 'General case' 0 C--N 1.395 2.553 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 175.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 61' ' ' GLU . 17.2 m -69.28 -30.71 46.94 Favored 'Isoleucine or valine' 0 C--N 1.391 2.405 0 CA-C-O 121.927 0.87 . . . . 0.0 111.331 178.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -74.62 -9.99 59.1 Favored 'General case' 0 CA--C 1.579 2.06 0 CA-C-N 112.462 -2.154 . . . . 0.0 111.52 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -94.48 -10.17 33.16 Favored 'General case' 0 N--CA 1.5 2.066 0 C-N-CA 125.233 1.413 . . . . 0.0 110.779 175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.65 39.3 8.28 Favored Glycine 0 C--N 1.38 3.007 0 N-CA-C 117.487 1.755 . . . . 0.0 117.487 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.28 93.9 5.06 Favored 'General case' 0 C--N 1.372 1.583 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 176.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.98 -22.42 61.43 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 113.535 -1.666 . . . . 0.0 112.3 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.5 m -70.52 -35.5 73.22 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 125.459 1.504 . . . . 0.0 109.811 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -76.23 -20.97 56.94 Favored 'General case' 0 C--N 1.391 2.407 0 C-N-CA 123.681 0.792 . . . . 0.0 111.603 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.9 t -74.48 -51.13 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 C-N-CA 126.54 1.936 . . . . 0.0 109.407 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.01 80.13 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 126.947 2.099 . . . . 0.0 112.71 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -46.24 87.35 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.151 1.38 . . . . 0.0 109.292 173.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.25 -39.01 92.11 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 124.589 1.18 . . . . 0.0 111.831 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.45 95.54 Favored 'General case' 0 N--CA 1.513 2.711 0 C-N-CA 124.487 1.115 . . . . 0.0 112.105 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.16 -37.92 75.32 Favored 'General case' 0 N--CA 1.516 2.829 0 C-N-CA 126.324 1.849 . . . . 0.0 111.366 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -72.0 -28.81 63.65 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 125.461 1.504 . . . . 0.0 110.714 174.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.91 -46.38 65.52 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 124.452 1.101 . . . . 0.0 111.693 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.517 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.05 -39.12 83.11 Favored 'General case' 0 C--N 1.386 2.186 0 C-N-CA 124.847 1.259 . . . . 0.0 112.669 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.41 85.89 Favored 'General case' 0 C--N 1.385 2.112 0 C-N-CA 125.999 1.72 . . . . 0.0 112.368 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -73.81 -27.35 61.08 Favored 'General case' 0 C--N 1.378 1.827 0 C-N-CA 123.779 0.832 . . . . 0.0 112.743 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 80' ' ' ALA . 29.7 mt -62.94 -45.67 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.75 -43.09 94.42 Favored 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 124.893 1.277 . . . . 0.0 111.872 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.29 -42.77 62.03 Favored 'General case' 0 C--N 1.378 1.832 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.06 -44.52 12.22 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -175.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 10.4 mt-30 -66.69 -39.58 88.15 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 123.63 0.581 . . . . 0.0 112.115 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.33 -39.86 31.72 Favored 'General case' 0 C--N 1.386 2.167 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -76.35 -29.39 57.21 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 119.084 0.856 . . . . 0.0 110.841 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.36 -26.67 55.91 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 124.192 0.997 . . . . 0.0 109.129 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.39 -31.93 67.85 Favored 'General case' 0 C--N 1.41 3.221 0 C-N-CA 124.393 1.077 . . . . 0.0 113.117 177.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.7 p -85.58 -21.65 28.41 Favored 'General case' 0 C--N 1.382 1.989 0 CA-C-N 119.131 0.878 . . . . 0.0 110.07 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.96 -29.18 55.46 Favored 'General case' 0 C--N 1.386 2.184 0 CA-C-N 113.939 -1.482 . . . . 0.0 112.113 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 p -77.32 -10.86 59.7 Favored 'General case' 0 N--CA 1.515 2.825 0 C-N-CA 125.942 1.697 . . . . 0.0 112.281 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 N--CA 1.496 1.833 0 C-N-CA 127.532 2.333 . . . . 0.0 109.657 176.489 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 . . . . . 0 CA--C 1.565 1.525 0 CA-C-O 119.206 -0.426 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.94 -38.65 86.54 Favored 'General case' 0 C--N 1.403 2.905 0 C-N-CA 123.992 0.917 . . . . 0.0 112.522 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -67.62 -35.38 78.82 Favored 'General case' 0 N--CA 1.501 2.104 0 C-N-CA 125.4 1.48 . . . . 0.0 109.794 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -67.92 -36.57 80.38 Favored 'General case' 0 C--N 1.388 2.276 0 C-N-CA 125.873 1.669 . . . . 0.0 111.651 174.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.527 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 5.2 mpt_? -74.28 -49.34 23.53 Favored 'General case' 0 C--N 1.375 1.702 0 C-N-CA 123.537 0.735 . . . . 0.0 111.253 176.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.45 -60.04 4.12 Favored 'General case' 0 CA--C 1.599 2.836 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.08 -42.63 18.94 Favored 'General case' 0 C--N 1.384 2.093 0 N-CA-C 116.704 2.113 . . . . 0.0 116.704 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 42.4 mt-10 -72.23 -33.82 67.86 Favored 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.527 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 5.3 m-85 -66.28 -41.93 89.13 Favored 'General case' 0 C--N 1.393 2.463 0 CA-C-O 118.549 -0.739 . . . . 0.0 112.07 177.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -71.1 -30.97 67.21 Favored 'General case' 0 C--N 1.394 2.525 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.93 -42.04 73.8 Favored 'General case' 0 N--CA 1.521 3.085 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -71.64 -35.22 70.33 Favored 'General case' 0 N--CA 1.507 2.412 0 C-N-CA 124.366 1.066 . . . . 0.0 112.039 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 28.3 mt-10 -73.2 -22.21 60.51 Favored 'General case' 0 C--N 1.383 2.058 0 C-N-CA 125.106 1.362 . . . . 0.0 111.961 177.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -69.12 -50.72 45.47 Favored 'General case' 0 N--CA 1.506 2.375 0 C-N-CA 125.905 1.682 . . . . 0.0 113.56 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.23 -37.92 69.05 Favored 'General case' 0 N--CA 1.509 2.484 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 152' ' ' LEU . 20.4 mt -61.13 -33.52 73.52 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 123.646 0.591 . . . . 0.0 110.543 174.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -70.35 -34.28 72.45 Favored 'General case' 0 C--N 1.379 1.877 0 C-N-CA 125.03 1.332 . . . . 0.0 111.917 175.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.74 90.19 Favored 'General case' 0 C--N 1.408 3.11 0 C-N-CA 125.688 1.595 . . . . 0.0 112.611 -177.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.4 mtt -64.16 -39.73 94.62 Favored 'General case' 0 C--N 1.389 2.302 0 O-C-N 124.878 1.361 . . . . 0.0 110.482 176.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -69.04 -37.3 78.51 Favored 'General case' 0 C--N 1.385 2.119 0 C-N-CA 125.014 1.326 . . . . 0.0 110.974 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -65.03 -38.68 91.68 Favored 'General case' 0 C--N 1.4 2.762 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.81 -39.48 80.04 Favored 'General case' 0 N--CA 1.509 2.501 0 C-N-CA 124.415 1.086 . . . . 0.0 111.546 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -74.16 -24.83 59.46 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 124.764 1.225 . . . . 0.0 112.315 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -71.94 -34.46 69.03 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 125.59 1.556 . . . . 0.0 111.176 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -67.0 -38.64 86.36 Favored 'General case' 0 C--N 1.388 2.252 0 C-N-CA 125.129 1.372 . . . . 0.0 110.444 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -72.22 -32.86 67.14 Favored 'General case' 0 C--N 1.387 2.238 0 C-N-CA 124.673 1.189 . . . . 0.0 111.993 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -69.41 -37.06 77.31 Favored 'General case' 0 C--N 1.391 2.41 0 C-N-CA 124.794 1.238 . . . . 0.0 111.395 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.46 86.54 Favored 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 125.323 1.449 . . . . 0.0 113.418 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -90.71 -39.63 12.32 Favored 'General case' 0 C--N 1.387 2.231 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -106.97 -29.88 9.18 Favored 'General case' 0 C--N 1.398 2.677 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -174.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 56.48 26.94 11.47 Favored 'General case' 0 N--CA 1.532 3.671 0 C-N-CA 127.594 2.358 . . . . 0.0 116.468 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.74 137.72 58.3 Favored Pre-proline 0 N--CA 1.503 2.208 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.4 -14.33 15.79 Favored 'Trans proline' 1 C--N 1.436 5.14 0 C-N-CA 124.709 3.606 . . . . 0.0 116.776 177.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -68.45 -37.92 80.65 Favored 'General case' 0 N--CA 1.527 3.402 0 C-N-CA 124.341 1.056 . . . . 0.0 113.294 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -78.09 -29.19 48.92 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 126.887 2.075 . . . . 0.0 110.002 -179.194 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.8 77.97 Favored 'General case' 0 C--N 1.378 1.807 0 C-N-CA 126.671 1.988 . . . . 0.0 110.045 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.7 -33.52 70.97 Favored 'General case' 0 C--N 1.381 1.969 0 C-N-CA 124.138 0.975 . . . . 0.0 110.82 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -72.12 -42.65 65.81 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 125.107 1.363 . . . . 0.0 114.264 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.1 mt -66.32 -43.32 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.22 0 C-N-CA 125.629 1.571 . . . . 0.0 109.06 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 23.0 m -63.12 -41.0 99.24 Favored 'General case' 0 CA--C 1.59 2.505 0 C-N-CA 126.026 1.73 . . . . 0.0 111.43 177.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.18 93.43 Favored 'General case' 0 N--CA 1.513 2.69 0 C-N-CA 124.655 1.182 . . . . 0.0 112.165 175.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.28 -26.39 60.17 Favored 'General case' 0 C--N 1.381 1.976 0 C-N-CA 124.774 1.23 . . . . 0.0 111.845 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.06 -37.36 87.17 Favored 'General case' 0 C--N 1.394 2.517 0 C-N-CA 125.999 1.719 . . . . 0.0 112.425 176.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -75.09 -35.13 61.8 Favored 'General case' 0 C--N 1.389 2.291 0 C-N-CA 124.874 1.27 . . . . 0.0 110.091 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -71.51 -33.66 69.43 Favored 'General case' 0 C--N 1.385 2.123 0 C-N-CA 125.093 1.357 . . . . 0.0 113.121 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -66.94 -38.13 85.58 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 124.923 1.289 . . . . 0.0 109.934 174.89 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.5 p -76.6 -37.07 57.03 Favored 'General case' 0 N--CA 1.5 2.065 0 C-N-CA 123.38 0.672 . . . . 0.0 112.303 176.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -73.0 -28.33 62.3 Favored 'General case' 0 N--CA 1.512 2.673 0 C-N-CA 124.139 0.976 . . . . 0.0 113.177 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 8.7 t -73.24 -41.03 64.18 Favored 'General case' 0 C--N 1.384 2.107 0 C-N-CA 123.994 0.918 . . . . 0.0 109.35 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -59.53 -38.0 79.85 Favored 'General case' 0 C--N 1.394 2.514 0 C-N-CA 125.487 1.515 . . . . 0.0 112.257 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.4 m -68.93 -41.37 78.21 Favored 'General case' 0 CA--C 1.58 2.13 0 C-N-CA 125.422 1.489 . . . . 0.0 110.565 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.52 -38.37 84.17 Favored 'General case' 0 C--N 1.38 1.92 0 C-N-CA 126.326 1.851 . . . . 0.0 112.859 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 37.1 mt -66.51 -42.14 89.66 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.898 0 C-N-CA 126.268 1.827 . . . . 0.0 110.12 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.11 93.66 Favored 'General case' 0 C--N 1.391 2.384 0 C-N-CA 124.627 1.171 . . . . 0.0 112.924 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.85 -39.32 87.56 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 125.435 1.494 . . . . 0.0 112.981 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 18.0 p -70.99 -29.76 65.82 Favored 'General case' 0 N--CA 1.511 2.581 0 C-N-CA 124.304 1.042 . . . . 0.0 112.033 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.41 -28.59 63.07 Favored 'General case' 0 C--N 1.381 1.978 0 C-N-CA 124.861 1.264 . . . . 0.0 111.538 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.82 -35.35 76.87 Favored 'General case' 0 N--CA 1.512 2.667 0 C-N-CA 125.227 1.411 . . . . 0.0 111.92 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.31 72.19 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 124.713 1.205 . . . . 0.0 110.211 175.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.03 -30.17 63.54 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 125.501 1.52 . . . . 0.0 111.934 176.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -66.79 -35.13 79.37 Favored 'General case' 0 N--CA 1.508 2.443 0 C-N-CA 126.245 1.818 . . . . 0.0 112.897 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 . . . . . 0 C--N 1.383 2.029 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -177.76 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo . . . . . 0 N--CA 1.525 3.342 0 N-CA-C 114.632 0.974 . . . . 0.0 114.632 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.74 -48.25 4.78 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 123.623 0.769 . . . . 0.0 112.063 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -36.91 59.51 Favored 'General case' 0 C--N 1.377 1.773 0 C-N-CA 125.112 1.365 . . . . 0.0 112.585 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.83 -32.46 70.88 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 124.448 1.099 . . . . 0.0 110.14 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -68.22 -35.83 78.57 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 124.341 1.025 . . . . 0.0 111.467 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.6 m -72.44 -41.23 66.37 Favored 'General case' 0 C--N 1.383 2.037 0 C-N-CA 123.811 0.844 . . . . 0.0 110.972 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.29 -44.55 88.54 Favored 'General case' 0 C--N 1.389 2.306 0 O-C-N 124.333 1.021 . . . . 0.0 112.244 173.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -65.21 -39.79 93.26 Favored 'General case' 0 C--N 1.399 2.721 0 C-N-CA 125.159 1.384 . . . . 0.0 114.648 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -69.66 -38.22 77.01 Favored 'General case' 0 C--N 1.376 1.743 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.588 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.07 -29.3 70.21 Favored 'General case' 0 N--CA 1.509 2.522 0 C-N-CA 124.37 1.068 . . . . 0.0 112.292 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.7 t -76.67 -46.66 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.407 0 C-N-CA 125.306 1.442 . . . . 0.0 110.999 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.82 -29.95 67.34 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 123.642 0.777 . . . . 0.0 111.512 176.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.77 -39.62 87.93 Favored 'General case' 0 N--CA 1.512 2.67 0 C-N-CA 125.9 1.68 . . . . 0.0 110.436 172.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -34.98 68.71 Favored 'General case' 0 C--N 1.38 1.928 0 C-N-CA 124.361 1.064 . . . . 0.0 110.84 177.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -60.66 -41.28 94.69 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 127.109 2.164 . . . . 0.0 111.568 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.51 -15.76 58.25 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 124.827 1.251 . . . . 0.0 114.097 178.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.7 -17.13 18.72 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 125.217 1.407 . . . . 0.0 109.547 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.33 16.56 7.96 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.63 0 C-N-CA 126.702 2.001 . . . . 0.0 111.011 177.095 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.69 -75.46 0.45 Allowed Glycine 0 C--N 1.367 2.298 0 CA-C-O 116.575 -2.236 . . . . 0.0 113.857 -172.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -68.84 -3.15 10.8 Favored 'Trans proline' 1 C--N 1.421 4.362 0 CA-C-N 122.447 3.124 . . . . 0.0 115.1 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -88.9 -11.08 45.58 Favored 'General case' 0 C--N 1.383 2.04 0 C-N-CA 126.059 1.744 . . . . 0.0 112.457 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.608 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.501 2.098 0 C-N-CA 126.544 1.937 . . . . 0.0 115.428 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 122.534 1.159 . . . . 0.0 112.02 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -74.54 -33.73 62.81 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 113.369 -1.742 . . . . 0.0 113.767 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -77.14 -24.39 51.63 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.834 1.253 . . . . 0.0 113.146 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.56 -6.29 40.69 Favored 'General case' 0 C--N 1.384 2.076 0 C-N-CA 122.854 0.462 . . . . 0.0 111.967 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -119.01 154.03 33.72 Favored 'General case' 0 C--N 1.381 1.943 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.43 113.74 19.19 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.7 t -136.3 156.32 48.82 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 114.867 -1.061 . . . . 0.0 109.854 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -105.83 47.39 0.88 Allowed 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -176.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.22 -69.55 0.47 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 118.174 2.03 . . . . 0.0 118.174 170.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -173.22 64.9 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 119.202 1.501 . . . . 0.0 110.051 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -139.93 137.35 34.71 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.608 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 2.0 mt -70.92 -26.1 63.06 Favored 'General case' 0 N--CA 1.524 3.264 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 170.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.06 -36.62 92.59 Favored Glycine 0 C--N 1.384 3.236 0 C-N-CA 125.73 1.633 . . . . 0.0 114.088 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.43 -21.75 45.13 Favored 'General case' 0 C--N 1.394 2.536 0 C-N-CA 123.318 0.647 . . . . 0.0 111.734 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -81.75 -32.36 31.54 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.223 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.37 -36.0 54.02 Favored 'General case' 0 C--N 1.377 1.801 0 C-N-CA 124.776 1.23 . . . . 0.0 112.504 178.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.33 -34.86 70.93 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.485 1.514 . . . . 0.0 112.187 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -81.0 -28.88 35.32 Favored 'General case' 0 C--N 1.378 1.835 0 C-N-CA 123.618 0.767 . . . . 0.0 110.686 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.97 -38.57 66.67 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 124.903 1.377 . . . . 0.0 111.582 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.08 -38.01 78.77 Favored 'General case' 0 CA--C 1.575 1.916 0 C-N-CA 124.504 1.122 . . . . 0.0 110.243 175.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -72.86 -25.96 61.29 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 126.087 1.755 . . . . 0.0 112.83 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.3 m -79.51 -28.74 41.37 Favored 'General case' 0 N--CA 1.503 2.202 0 C-N-CA 123.844 0.858 . . . . 0.0 109.812 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -41.83 65.16 Favored 'General case' 0 C--N 1.383 2.053 0 C-N-CA 124.655 1.182 . . . . 0.0 110.525 176.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.4 p -71.47 -32.39 68.24 Favored 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 125.675 1.59 . . . . 0.0 113.84 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -77.83 -41.9 35.5 Favored 'General case' 0 N--CA 1.516 2.869 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.63 -34.64 78.33 Favored 'General case' 0 C--N 1.389 2.306 0 C-N-CA 124.603 1.161 . . . . 0.0 110.991 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.468 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 4.8 mt-10 -65.17 -32.4 74.07 Favored 'General case' 0 C--N 1.388 2.247 0 C-N-CA 126.135 1.774 . . . . 0.0 112.298 176.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.3 94.27 Favored 'General case' 0 C--N 1.388 2.278 0 C-N-CA 124.095 0.958 . . . . 0.0 112.944 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.14 -29.97 65.9 Favored 'General case' 0 N--CA 1.51 2.556 0 C-N-CA 123.122 0.569 . . . . 0.0 112.117 174.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 52.4 t -60.6 -39.54 81.76 Favored 'Isoleucine or valine' 0 C--N 1.38 1.92 0 C-N-CA 126.581 1.952 . . . . 0.0 110.187 175.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -54.87 -31.95 60.31 Favored 'General case' 0 C--N 1.393 2.495 0 C-N-CA 125.015 1.326 . . . . 0.0 113.104 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -69.41 -37.73 77.59 Favored 'General case' 0 C--N 1.399 2.761 0 C-N-CA 125.569 1.548 . . . . 0.0 112.062 176.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.3 32.19 2.84 Favored Glycine 0 C--N 1.375 2.711 0 N-CA-C 116.136 1.214 . . . . 0.0 116.136 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.26 112.62 21.56 Favored 'General case' 0 C--N 1.378 1.83 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.34 68.13 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 112.959 -1.928 . . . . 0.0 113.03 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.5 m -71.92 -38.23 69.91 Favored 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 124.695 1.198 . . . . 0.0 110.969 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -75.42 -22.93 57.0 Favored 'General case' 0 N--CA 1.508 2.443 0 C-N-CA 123.966 0.906 . . . . 0.0 112.279 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.2 t -77.05 -47.16 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 125.549 1.54 . . . . 0.0 109.802 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.8 -37.11 81.57 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 127.285 2.234 . . . . 0.0 112.673 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.03 -40.16 94.42 Favored 'General case' 0 N--CA 1.5 2.032 0 C-N-CA 126.299 1.84 . . . . 0.0 109.99 173.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 tt -72.72 -38.55 67.42 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 124.908 1.283 . . . . 0.0 109.64 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.17 98.02 Favored 'General case' 0 N--CA 1.511 2.583 0 C-N-CA 124.873 1.269 . . . . 0.0 112.537 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.74 -37.8 70.52 Favored 'General case' 0 N--CA 1.514 2.773 0 C-N-CA 125.888 1.675 . . . . 0.0 111.292 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -69.21 -35.65 76.43 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 125.001 1.32 . . . . 0.0 109.6 173.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.66 -45.87 81.29 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 124.703 1.201 . . . . 0.0 112.429 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.22 -40.72 82.01 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 125.079 1.352 . . . . 0.0 112.666 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.15 81.93 Favored 'General case' 0 C--N 1.39 2.342 0 C-N-CA 125.956 1.702 . . . . 0.0 112.022 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -73.64 -27.1 61.09 Favored 'General case' 0 C--N 1.375 1.688 0 C-N-CA 123.651 0.78 . . . . 0.0 112.559 176.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 32.9 mt -63.34 -46.1 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.527 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.0 mt-10 -66.27 -44.92 82.26 Favored 'General case' 0 N--CA 1.505 2.305 0 C-N-CA 124.802 1.241 . . . . 0.0 112.097 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.64 -44.44 56.89 Favored 'General case' 0 C--N 1.378 1.847 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.2 mp -86.22 -42.98 13.35 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 17.7 mt-30 -68.19 -37.88 81.39 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 123.795 0.684 . . . . 0.0 112.059 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.9 mtt180 -79.14 -36.09 41.06 Favored 'General case' 0 C--N 1.391 2.379 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 178.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -76.71 -26.64 54.91 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 119.367 0.985 . . . . 0.0 110.0 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.86 -28.13 55.33 Favored 'General case' 0 C--N 1.389 2.287 0 C-N-CA 124.406 1.082 . . . . 0.0 109.135 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.36 -29.37 63.73 Favored 'General case' 0 C--N 1.406 3.045 0 C-N-CA 125.303 1.441 . . . . 0.0 112.683 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 p -85.66 -22.57 27.85 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 124.664 1.186 . . . . 0.0 109.712 175.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.58 -27.48 51.37 Favored 'General case' 0 C--N 1.389 2.291 0 C-N-CA 125.458 1.503 . . . . 0.0 111.897 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.6 p -78.02 -11.23 59.89 Favored 'General case' 0 N--CA 1.514 2.741 0 C-N-CA 125.894 1.678 . . . . 0.0 111.725 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 N--CA 1.492 1.643 0 C-N-CA 127.021 2.129 . . . . 0.0 109.242 177.225 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 N--CA 1.503 2.178 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 59.9 mt -74.63 -35.63 62.9 Favored 'General case' 0 C--N 1.377 1.804 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -68.17 -37.75 81.33 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 124.788 1.235 . . . . 0.0 111.331 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.85 82.13 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.52 1.528 . . . . 0.0 111.441 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 4.5 mpt_? -73.01 -51.07 19.63 Favored 'General case' 0 C--N 1.376 1.745 0 C-N-CA 123.658 0.783 . . . . 0.0 111.45 176.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.57 -59.77 4.2 Favored 'General case' 0 CA--C 1.591 2.521 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.45 -45.77 24.68 Favored 'General case' 0 C--N 1.384 2.066 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.82 -37.6 70.32 Favored 'General case' 0 N--CA 1.509 2.522 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 18.7 m-85 -70.57 -36.85 73.84 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 123.127 0.571 . . . . 0.0 112.427 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -67.14 -39.83 86.64 Favored 'General case' 0 C--N 1.389 2.302 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.66 -41.75 83.29 Favored 'General case' 0 N--CA 1.517 2.875 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -68.92 -36.84 78.48 Favored 'General case' 0 N--CA 1.506 2.37 0 C-N-CA 124.216 1.006 . . . . 0.0 113.048 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.72 -36.78 78.88 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 124.66 1.184 . . . . 0.0 113.019 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -63.85 -42.41 97.58 Favored 'General case' 0 N--CA 1.511 2.604 0 C-N-CA 125.343 1.457 . . . . 0.0 114.753 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -72.9 -39.95 65.94 Favored 'General case' 0 N--CA 1.509 2.51 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.55 -32.93 71.97 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 123.451 0.469 . . . . 0.0 110.571 173.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -32.17 69.39 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 125.061 1.344 . . . . 0.0 112.093 176.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.45 86.6 Favored 'General case' 0 C--N 1.408 3.131 0 C-N-CA 125.475 1.51 . . . . 0.0 112.045 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.1 mtt -64.29 -38.05 89.68 Favored 'General case' 0 C--N 1.393 2.461 0 C-N-CA 125.253 1.421 . . . . 0.0 110.925 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -69.31 -35.32 75.86 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 125.64 1.576 . . . . 0.0 110.803 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -69.21 -38.67 78.7 Favored 'General case' 0 N--CA 1.51 2.548 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.76 -40.02 79.96 Favored 'General case' 0 N--CA 1.513 2.698 0 C-N-CA 124.672 1.189 . . . . 0.0 112.389 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -74.39 -20.51 60.04 Favored 'General case' 0 C--N 1.382 2.001 0 C-N-CA 124.661 1.184 . . . . 0.0 111.85 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -79.92 -26.92 39.97 Favored 'General case' 0 C--N 1.384 2.081 0 C-N-CA 124.385 1.074 . . . . 0.0 112.184 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -67.13 -38.72 86.06 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 124.529 1.132 . . . . 0.0 109.795 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.18 -36.28 74.54 Favored 'General case' 0 C--N 1.392 2.455 0 C-N-CA 124.915 1.286 . . . . 0.0 111.362 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -69.06 -34.47 75.21 Favored 'General case' 0 C--N 1.398 2.677 0 C-N-CA 124.977 1.311 . . . . 0.0 111.695 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.19 -37.5 87.52 Favored 'General case' 0 CA--C 1.57 1.737 0 C-N-CA 125.111 1.364 . . . . 0.0 112.935 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -90.71 -38.99 12.7 Favored 'General case' 0 C--N 1.388 2.279 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -107.74 -29.69 8.97 Favored 'General case' 0 C--N 1.397 2.663 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.3 m80 57.7 30.83 19.51 Favored 'General case' 0 N--CA 1.532 3.631 0 C-N-CA 127.617 2.367 . . . . 0.0 116.131 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.02 135.96 47.69 Favored Pre-proline 0 N--CA 1.499 1.977 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.08 -14.02 13.62 Favored 'Trans proline' 1 C--N 1.436 5.183 0 C-N-CA 124.919 3.746 . . . . 0.0 116.929 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -68.19 -37.59 81.09 Favored 'General case' 0 N--CA 1.527 3.408 0 C-N-CA 124.402 1.081 . . . . 0.0 113.688 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -79.0 -29.27 43.63 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 126.596 1.959 . . . . 0.0 110.044 -178.788 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.18 -36.62 77.52 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 126.828 2.051 . . . . 0.0 110.228 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.21 -32.83 70.92 Favored 'General case' 0 C--N 1.38 1.923 0 O-C-N 124.209 0.943 . . . . 0.0 110.492 172.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.44 -42.45 65.02 Favored 'General case' 0 N--CA 1.513 2.712 0 C-N-CA 125.102 1.361 . . . . 0.0 114.144 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.5 mt -65.28 -44.97 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.576 0 C-N-CA 125.205 1.402 . . . . 0.0 109.184 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.9 m -61.41 -42.54 98.9 Favored 'General case' 0 CA--C 1.587 2.381 0 C-N-CA 126.32 1.848 . . . . 0.0 111.62 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.45 97.6 Favored 'General case' 0 N--CA 1.514 2.738 0 C-N-CA 124.474 1.109 . . . . 0.0 112.549 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 14.8 mt -73.46 -28.73 62.1 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 124.895 1.278 . . . . 0.0 112.113 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -37.58 87.85 Favored 'General case' 0 C--N 1.392 2.437 0 C-N-CA 126.135 1.774 . . . . 0.0 112.384 178.109 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -74.25 -33.79 63.43 Favored 'General case' 0 C--N 1.386 2.189 0 C-N-CA 125.921 1.688 . . . . 0.0 109.792 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -70.16 -34.44 73.02 Favored 'General case' 0 C--N 1.386 2.171 0 C-N-CA 125.457 1.503 . . . . 0.0 112.455 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -38.69 91.91 Favored 'General case' 0 C--N 1.381 1.96 0 C-N-CA 124.27 1.028 . . . . 0.0 110.304 174.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.4 p -76.89 -39.13 52.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 123.931 0.769 . . . . 0.0 112.463 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -71.55 -36.26 70.9 Favored 'General case' 0 N--CA 1.513 2.689 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 82.7 m -71.77 -38.51 70.34 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 123.839 0.855 . . . . 0.0 111.446 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -62.42 -38.34 89.33 Favored 'General case' 0 C--N 1.394 2.5 0 C-N-CA 125.25 1.42 . . . . 0.0 112.429 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 25.3 m -69.95 -41.84 74.01 Favored 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 125.17 1.388 . . . . 0.0 111.034 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.84 -38.38 83.09 Favored 'General case' 0 C--N 1.38 1.892 0 C-N-CA 126.141 1.777 . . . . 0.0 113.102 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 20.7 mt -69.91 -40.38 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.833 0 C-N-CA 126.033 1.733 . . . . 0.0 110.228 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.91 99.68 Favored 'General case' 0 C--N 1.389 2.315 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.53 -40.91 76.62 Favored 'General case' 0 N--CA 1.512 2.65 0 C-N-CA 124.639 1.176 . . . . 0.0 113.763 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.1 p -71.57 -35.53 70.62 Favored 'General case' 0 N--CA 1.507 2.423 0 C-N-CA 124.317 1.047 . . . . 0.0 112.757 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.31 -35.56 68.66 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 124.252 1.021 . . . . 0.0 112.548 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -65.56 -38.94 91.02 Favored 'General case' 0 N--CA 1.515 2.788 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -71.77 -33.65 68.79 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 124.312 1.045 . . . . 0.0 111.037 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -77.14 -32.26 56.21 Favored 'General case' 0 C--N 1.387 2.238 0 C-N-CA 125.893 1.677 . . . . 0.0 112.943 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.44 -26.41 60.93 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 125.257 1.423 . . . . 0.0 113.115 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.383 2.044 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 N--CA 1.523 3.253 0 N-CA-C 114.188 0.803 . . . . 0.0 114.188 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -96.91 -41.03 8.61 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 123.338 0.655 . . . . 0.0 112.272 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.23 -37.78 52.56 Favored 'General case' 0 C--N 1.373 1.593 0 C-N-CA 124.861 1.264 . . . . 0.0 111.873 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -31.75 70.64 Favored 'General case' 0 C--N 1.38 1.925 0 C-N-CA 124.967 1.307 . . . . 0.0 111.31 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -69.36 -38.04 77.91 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 124.716 1.26 . . . . 0.0 111.607 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.3 m -71.16 -41.27 70.62 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 123.729 0.812 . . . . 0.0 111.093 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.91 -44.58 91.31 Favored 'General case' 0 C--N 1.389 2.298 0 O-C-N 124.237 0.961 . . . . 0.0 111.838 173.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -65.71 -40.2 92.01 Favored 'General case' 0 C--N 1.4 2.763 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -69.55 -38.8 77.61 Favored 'General case' 0 C--N 1.376 1.728 0 CA-C-O 117.835 -1.079 . . . . 0.0 110.611 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.93 -30.2 71.37 Favored 'General case' 0 N--CA 1.503 2.181 0 C-N-CA 123.99 0.916 . . . . 0.0 111.788 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.5 t -75.83 -46.76 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 C-N-CA 125.505 1.522 . . . . 0.0 111.59 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.99 -29.84 68.12 Favored 'General case' 0 N--CA 1.506 2.364 0 C-N-CA 123.668 0.787 . . . . 0.0 111.712 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.21 90.04 Favored 'General case' 0 N--CA 1.512 2.655 0 C-N-CA 126.251 1.82 . . . . 0.0 110.837 171.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 mt -70.0 -37.88 75.82 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 124.188 0.995 . . . . 0.0 110.765 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -59.54 -40.77 88.29 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 127.435 2.294 . . . . 0.0 112.222 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.26 -16.1 58.13 Favored 'General case' 0 N--CA 1.505 2.297 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 177.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -97.36 -19.78 18.27 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 125.477 1.511 . . . . 0.0 110.187 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.79 11.35 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 127.066 2.146 . . . . 0.0 112.129 178.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.1 -67.09 2.11 Favored Glycine 0 N--CA 1.497 2.756 0 N-CA-C 117.397 1.719 . . . . 0.0 117.397 -170.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.09 -8.96 25.04 Favored 'Trans proline' 0 C--N 1.412 3.871 0 CA-C-N 122.004 2.902 . . . . 0.0 117.164 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.25 -50.41 10.97 Favored 'General case' 0 C--N 1.375 1.704 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -176.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.611 0 N-CA-C 115.968 1.84 . . . . 0.0 115.968 -178.325 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 122.005 0.907 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.41 -2.0 51.77 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 113.67 -1.605 . . . . 0.0 113.868 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -80.11 -30.61 39.16 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 123.326 0.651 . . . . 0.0 111.091 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 mt -102.16 -3.82 26.84 Favored 'General case' 0 C--N 1.388 2.248 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -120.12 154.93 34.01 Favored 'General case' 0 C--N 1.382 2.017 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.0 108.96 13.51 Favored 'General case' 0 C--N 1.385 2.115 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 t -152.93 169.09 23.7 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 113.486 -1.688 . . . . 0.0 108.726 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -113.46 -31.9 6.39 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.511 0.724 . . . . 0.0 111.466 -178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.28 83.58 1.11 Allowed Glycine 0 C--N 1.381 3.036 0 N-CA-C 107.594 -2.202 . . . . 0.0 107.594 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.15 -55.94 1.18 Allowed 'General case' 0 C--N 1.385 2.151 0 CA-C-N 117.329 0.564 . . . . 0.0 111.147 -173.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -177.6 173.63 1.62 Allowed 'General case' 0 C--N 1.412 3.303 0 C-N-CA 126.973 2.109 . . . . 0.0 112.214 -174.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -21.66 62.43 Favored 'General case' 0 C--N 1.42 3.652 0 C-N-CA 125.042 1.337 . . . . 0.0 108.201 171.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.86 -35.29 74.63 Favored Glycine 0 C--N 1.383 3.172 0 C-N-CA 126.07 1.795 . . . . 0.0 113.757 176.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.97 -21.57 54.52 Favored 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 123.254 0.622 . . . . 0.0 111.804 178.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -82.19 -31.1 30.57 Favored 'General case' 0 N--CA 1.505 2.291 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.238 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mt -75.48 -36.38 60.65 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.482 1.513 . . . . 0.0 111.84 175.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -29.61 67.27 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 126.189 1.796 . . . . 0.0 111.119 175.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -79.82 -31.67 40.66 Favored 'General case' 0 C--N 1.382 2.004 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.21 -39.09 68.83 Favored 'General case' 0 C--N 1.375 1.688 0 CA-C-N 113.526 -1.67 . . . . 0.0 111.913 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -37.29 74.21 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 123.518 0.727 . . . . 0.0 111.163 174.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.75 -26.8 62.6 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 125.624 1.57 . . . . 0.0 113.003 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -80.22 -30.02 38.56 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 123.53 0.732 . . . . 0.0 110.03 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.73 -41.96 64.64 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 125.529 1.532 . . . . 0.0 110.382 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -72.35 -30.93 65.19 Favored 'General case' 0 N--CA 1.508 2.429 0 C-N-CA 125.898 1.679 . . . . 0.0 113.196 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -76.7 -36.51 57.18 Favored 'General case' 0 N--CA 1.509 2.498 0 C-N-CA 123.687 0.795 . . . . 0.0 112.875 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.51 -33.11 70.83 Favored 'General case' 0 C--N 1.388 2.256 0 C-N-CA 124.955 1.302 . . . . 0.0 111.403 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -34.59 78.51 Favored 'General case' 0 C--N 1.386 2.158 0 C-N-CA 126.447 1.899 . . . . 0.0 112.231 176.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.6 87.88 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 123.484 0.714 . . . . 0.0 111.145 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.97 -27.89 69.14 Favored 'General case' 0 C--N 1.395 2.55 0 C-N-CA 125.275 1.43 . . . . 0.0 113.32 173.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.36 -39.79 86.6 Favored 'Isoleucine or valine' 0 C--N 1.384 2.087 0 C-N-CA 125.42 1.488 . . . . 0.0 108.927 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -68.87 -11.29 60.37 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 126.227 1.811 . . . . 0.0 112.405 175.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -87.25 -39.21 15.63 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 172.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.35 37.44 1.21 Allowed Glycine 0 C--N 1.381 3.072 0 N-CA-C 116.657 1.423 . . . . 0.0 116.657 171.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.93 107.8 20.32 Favored 'General case' 0 C--N 1.375 1.709 0 CA-C-O 121.786 0.803 . . . . 0.0 109.633 177.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.43 -22.57 61.08 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 113.719 -1.582 . . . . 0.0 112.57 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.7 m -71.05 -36.38 72.3 Favored 'General case' 0 CA--C 1.574 1.866 0 C-N-CA 125.336 1.455 . . . . 0.0 110.368 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.68 -22.32 56.8 Favored 'General case' 0 C--N 1.392 2.421 0 C-N-CA 124.075 0.95 . . . . 0.0 111.802 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.0 t -75.38 -49.21 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 C-N-CA 126.722 2.009 . . . . 0.0 109.714 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.13 79.25 Favored 'General case' 0 C--N 1.38 1.899 0 C-N-CA 127.064 2.146 . . . . 0.0 112.512 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.88 -45.97 90.05 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 124.872 1.269 . . . . 0.0 108.836 172.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.83 -39.08 93.38 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 125.002 1.439 . . . . 0.0 111.354 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.15 95.22 Favored 'General case' 0 N--CA 1.511 2.614 0 C-N-CA 124.857 1.263 . . . . 0.0 111.819 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.84 -35.72 72.56 Favored 'General case' 0 N--CA 1.517 2.905 0 C-N-CA 126.202 1.801 . . . . 0.0 111.065 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -70.84 -30.12 66.45 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 126.127 1.771 . . . . 0.0 110.31 174.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -43.66 64.22 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 124.701 1.2 . . . . 0.0 111.652 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.09 -38.96 82.92 Favored 'General case' 0 C--N 1.39 2.345 0 C-N-CA 125.298 1.439 . . . . 0.0 112.122 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.76 -37.46 86.42 Favored 'General case' 0 C--N 1.387 2.2 0 C-N-CA 126.294 1.838 . . . . 0.0 111.672 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.44 -27.46 61.44 Favored 'General case' 0 C--N 1.378 1.824 0 C-N-CA 124.03 0.932 . . . . 0.0 112.613 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 80' ' ' ALA . 37.8 mt -62.9 -46.27 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.566 0 C-N-CA 123.157 0.583 . . . . 0.0 109.83 175.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.58 -43.58 84.55 Favored 'General case' 0 N--CA 1.509 2.512 0 C-N-CA 125.296 1.439 . . . . 0.0 111.955 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.29 -42.91 64.99 Favored 'General case' 0 C--N 1.377 1.788 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.3 -45.51 11.18 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -176.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.469 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 17.0 mt-30 -64.2 -38.81 92.39 Favored 'General case' 0 N--CA 1.505 2.301 0 CA-C-N 119.141 0.882 . . . . 0.0 112.572 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -78.55 -43.68 26.05 Favored 'General case' 0 CA--C 1.593 2.619 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -76.54 -31.97 57.94 Favored 'General case' 0 N--CA 1.514 2.744 0 CA-C-N 118.843 0.747 . . . . 0.0 111.004 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.51 -22.37 51.28 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 124.801 1.241 . . . . 0.0 109.459 174.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -63.23 -41.8 99.14 Favored 'General case' 0 C--N 1.427 3.946 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.8 p -77.23 -29.96 54.35 Favored 'General case' 0 C--N 1.396 2.594 0 C-N-CA 123.908 0.883 . . . . 0.0 111.008 175.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.72 -25.74 60.81 Favored 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 124.224 1.01 . . . . 0.0 113.146 173.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 m -59.42 -17.41 30.49 Favored 'General case' 0 C--N 1.413 3.343 0 C-N-CA 126.516 1.926 . . . . 0.0 112.86 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.526 3.361 0 C-N-CA 127.394 2.278 . . . . 0.0 114.412 173.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 CA--C 1.57 1.737 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.9 mt -73.51 -28.43 61.9 Favored 'General case' 0 N--CA 1.51 2.561 0 C-N-CA 125.363 1.465 . . . . 0.0 114.417 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -69.9 -30.58 68.04 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 124.553 1.141 . . . . 0.0 110.2 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -68.32 -34.0 75.33 Favored 'General case' 0 C--N 1.386 2.155 0 C-N-CA 125.961 1.705 . . . . 0.0 111.4 174.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 6.0 mpt_? -76.36 -48.92 18.25 Favored 'General case' 0 C--N 1.385 2.119 0 C-N-CA 123.209 0.603 . . . . 0.0 110.537 177.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 mp -61.12 -60.95 2.95 Favored 'General case' 0 CA--C 1.599 2.831 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.41 -43.15 23.91 Favored 'General case' 0 C--N 1.385 2.143 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 42.8 mt-10 -72.05 -35.4 69.31 Favored 'General case' 0 N--CA 1.513 2.68 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.9 m-85 -66.0 -44.28 85.26 Favored 'General case' 0 C--N 1.391 2.374 0 CA-C-N 118.61 0.641 . . . . 0.0 112.211 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.26 -38.56 75.16 Favored 'General case' 0 C--N 1.391 2.379 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.5 -41.03 80.63 Favored 'General case' 0 N--CA 1.522 3.161 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -67.54 -34.86 77.95 Favored 'General case' 0 N--CA 1.505 2.318 0 C-N-CA 124.461 1.104 . . . . 0.0 111.691 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.18 -29.4 66.27 Favored 'General case' 0 C--N 1.382 1.994 0 C-N-CA 125.071 1.348 . . . . 0.0 112.38 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.79 -44.09 91.09 Favored 'General case' 0 N--CA 1.516 2.838 0 C-N-CA 125.153 1.381 . . . . 0.0 113.908 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -73.5 -39.88 64.51 Favored 'General case' 0 N--CA 1.509 2.517 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.52 -33.15 72.23 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 123.694 0.622 . . . . 0.0 110.271 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.0 -34.06 71.01 Favored 'General case' 0 C--N 1.381 1.939 0 C-N-CA 124.93 1.292 . . . . 0.0 111.783 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.83 91.38 Favored 'General case' 0 C--N 1.41 3.222 0 C-N-CA 125.593 1.557 . . . . 0.0 112.427 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 63.8 mtt -63.68 -39.74 95.08 Favored 'General case' 0 C--N 1.393 2.488 0 O-C-N 125.005 1.44 . . . . 0.0 110.621 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 89.9 mttt -68.55 -39.06 81.25 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 124.755 1.222 . . . . 0.0 109.891 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -63.66 -38.15 90.03 Favored 'General case' 0 C--N 1.401 2.839 0 C-N-CA 125.541 1.536 . . . . 0.0 114.611 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.94 -39.42 83.45 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 124.389 1.076 . . . . 0.0 110.958 176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -77.54 -21.68 52.22 Favored 'General case' 0 C--N 1.383 2.055 0 C-N-CA 124.562 1.145 . . . . 0.0 112.507 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 38.3 mt-10 -70.43 -36.18 73.82 Favored 'General case' 0 N--CA 1.513 2.678 0 C-N-CA 125.47 1.508 . . . . 0.0 110.728 175.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -66.73 -39.44 87.98 Favored 'General case' 0 C--N 1.387 2.237 0 C-N-CA 124.67 1.188 . . . . 0.0 110.709 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.89 -36.43 75.44 Favored 'General case' 0 C--N 1.392 2.424 0 C-N-CA 125.002 1.321 . . . . 0.0 112.002 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -69.27 -37.5 77.93 Favored 'General case' 0 C--N 1.39 2.359 0 C-N-CA 125.385 1.474 . . . . 0.0 112.085 177.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.19 85.79 Favored 'General case' 0 CA--C 1.571 1.752 0 C-N-CA 124.99 1.316 . . . . 0.0 113.39 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -89.79 -39.67 12.97 Favored 'General case' 0 C--N 1.386 2.158 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -106.0 -29.8 9.71 Favored 'General case' 0 C--N 1.393 2.485 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -175.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 33.9 m80 55.02 29.48 12.44 Favored 'General case' 0 N--CA 1.532 3.659 0 C-N-CA 127.423 2.289 . . . . 0.0 116.676 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.93 139.16 49.7 Favored Pre-proline 0 N--CA 1.503 2.214 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -56.03 -14.9 12.43 Favored 'Trans proline' 1 C--N 1.437 5.222 0 C-N-CA 124.839 3.693 . . . . 0.0 116.97 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -68.06 -39.11 83.07 Favored 'General case' 0 N--CA 1.53 3.527 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.484 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -77.81 -29.7 50.85 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 126.953 2.101 . . . . 0.0 109.85 -179.231 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.33 81.36 Favored 'General case' 0 C--N 1.376 1.73 0 C-N-CA 126.793 2.037 . . . . 0.0 110.524 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.13 -33.82 72.3 Favored 'General case' 0 C--N 1.382 1.985 0 O-C-N 124.15 0.906 . . . . 0.0 110.987 173.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.2 -42.94 65.21 Favored 'General case' 0 N--CA 1.51 2.553 0 C-N-CA 125.243 1.417 . . . . 0.0 114.756 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.0 mt -67.33 -42.0 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.192 0 C-N-CA 125.359 1.463 . . . . 0.0 109.099 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.9 m -62.59 -42.06 99.34 Favored 'General case' 0 CA--C 1.587 2.389 0 C-N-CA 125.983 1.713 . . . . 0.0 111.074 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.81 95.46 Favored 'General case' 0 N--CA 1.512 2.657 0 C-N-CA 124.621 1.169 . . . . 0.0 112.118 175.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.17 -27.93 61.93 Favored 'General case' 0 C--N 1.38 1.912 0 C-N-CA 125.303 1.441 . . . . 0.0 112.017 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -37.9 89.07 Favored 'General case' 0 C--N 1.391 2.408 0 C-N-CA 126.286 1.835 . . . . 0.0 112.57 177.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.77 -34.05 60.23 Favored 'General case' 0 C--N 1.388 2.246 0 C-N-CA 125.29 1.436 . . . . 0.0 110.111 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -71.54 -33.87 69.52 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.086 1.355 . . . . 0.0 112.634 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -38.38 87.69 Favored 'General case' 0 C--N 1.38 1.898 0 C-N-CA 124.885 1.274 . . . . 0.0 110.32 174.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.4 p -76.05 -38.24 57.36 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 123.718 0.636 . . . . 0.0 112.071 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -72.34 -28.95 63.38 Favored 'General case' 0 N--CA 1.514 2.752 0 C-N-CA 124.072 0.949 . . . . 0.0 113.326 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 5.4 t -74.19 -39.47 63.15 Favored 'General case' 0 C--N 1.384 2.08 0 C-N-CA 123.9 0.88 . . . . 0.0 109.844 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -60.62 -37.38 81.27 Favored 'General case' 0 C--N 1.391 2.409 0 C-N-CA 125.516 1.526 . . . . 0.0 112.318 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 5.5 m -71.13 -40.87 71.16 Favored 'General case' 0 CA--C 1.58 2.109 0 C-N-CA 125.116 1.366 . . . . 0.0 110.471 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.62 86.18 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 126.348 1.859 . . . . 0.0 113.111 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 28.4 mt -66.98 -40.8 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.011 0 C-N-CA 126.378 1.871 . . . . 0.0 109.96 175.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.4 99.34 Favored 'General case' 0 C--N 1.391 2.389 0 C-N-CA 124.754 1.221 . . . . 0.0 113.445 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.98 -39.81 83.24 Favored 'General case' 0 N--CA 1.515 2.784 0 C-N-CA 125.185 1.394 . . . . 0.0 113.0 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.4 p -70.83 -32.41 69.44 Favored 'General case' 0 N--CA 1.509 2.48 0 C-N-CA 124.654 1.182 . . . . 0.0 112.396 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -72.67 -31.32 64.98 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 124.918 1.287 . . . . 0.0 112.271 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.51 -38.57 84.47 Favored 'General case' 0 N--CA 1.511 2.616 0 C-N-CA 125.0 1.32 . . . . 0.0 113.119 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.3 -37.06 77.63 Favored 'General case' 0 C--N 1.378 1.818 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.072 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.29 -29.23 65.93 Favored 'General case' 0 C--N 1.392 2.454 0 C-N-CA 125.684 1.593 . . . . 0.0 112.25 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -71.24 -29.11 64.71 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.413 1.485 . . . . 0.0 112.553 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.385 2.142 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 N--CA 1.527 3.475 0 N-CA-C 114.881 1.07 . . . . 0.0 114.881 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mt -100.22 -47.08 5.08 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 123.567 0.747 . . . . 0.0 111.85 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -37.42 54.03 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 125.199 1.399 . . . . 0.0 112.677 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -31.93 70.16 Favored 'General case' 0 C--N 1.38 1.924 0 C-N-CA 124.386 1.074 . . . . 0.0 110.685 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -69.08 -35.79 76.91 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.143 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -71.92 -41.29 68.05 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 124.117 0.967 . . . . 0.0 111.095 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 mt -58.33 -43.3 88.18 Favored 'General case' 0 C--N 1.391 2.41 0 C-N-CA 124.296 1.038 . . . . 0.0 112.126 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -65.83 -38.27 88.43 Favored 'General case' 0 C--N 1.4 2.771 0 C-N-CA 124.729 1.212 . . . . 0.0 114.088 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -67.97 -38.11 82.35 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.839 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.72 -30.06 70.52 Favored 'General case' 0 N--CA 1.512 2.632 0 C-N-CA 124.493 1.117 . . . . 0.0 112.274 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -76.28 -46.42 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.429 0 C-N-CA 124.859 1.264 . . . . 0.0 110.245 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.94 -27.4 64.73 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 123.928 0.891 . . . . 0.0 111.057 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.469 ' O ' HD23 ' A' ' 20' ' ' LEU . . . -64.55 -39.48 93.83 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 125.84 1.656 . . . . 0.0 109.505 170.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -25.43 61.03 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 125.075 1.35 . . . . 0.0 111.604 177.131 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -68.06 -39.01 83.09 Favored 'General case' 0 N--CA 1.513 2.718 0 C-N-CA 125.404 1.482 . . . . 0.0 111.556 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 p -88.13 -22.08 24.29 Favored 'General case' 0 CA--C 1.561 1.397 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 16' ' ' ALA . 3.7 mm? -94.13 -15.54 24.59 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 126.236 1.815 . . . . 0.0 112.908 -176.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.4 mt -108.0 -71.95 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.841 0 N-CA-C 100.496 -3.891 . . . . 0.0 100.496 172.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.39 -95.57 0.01 OUTLIER Glycine 0 N--CA 1.49 2.28 0 O-C-N 127.569 3.043 . . . . 0.0 112.371 175.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -64.64 -8.68 18.12 Favored 'Trans proline' 1 C--N 1.419 4.276 0 C-N-CA 123.613 2.875 . . . . 0.0 115.696 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 mp -89.62 -4.65 57.71 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 126.351 1.86 . . . . 0.0 112.262 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.636 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.51 2.561 0 C-N-CA 126.951 2.1 . . . . 0.0 116.275 175.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 122.023 0.916 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -82.82 -11.0 58.59 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 113.598 -1.637 . . . . 0.0 113.788 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -80.24 -23.15 41.04 Favored 'General case' 0 N--CA 1.503 2.21 0 C-N-CA 123.961 0.905 . . . . 0.0 112.24 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.87 -3.42 42.01 Favored 'General case' 0 C--N 1.382 2.007 0 C-N-CA 124.357 1.063 . . . . 0.0 112.048 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -120.39 155.61 33.08 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 123.928 0.891 . . . . 0.0 113.244 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.58 112.16 17.67 Favored 'General case' 0 C--N 1.377 1.802 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.3 t -139.82 156.52 46.69 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.898 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -106.99 48.09 0.85 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -176.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.01 -69.44 0.49 Allowed Glycine 0 N--CA 1.489 2.188 0 N-CA-C 118.346 2.098 . . . . 0.0 118.346 171.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -176.63 59.27 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.425 0 CA-C-N 119.52 1.66 . . . . 0.0 109.985 -178.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -137.73 140.21 40.57 Favored 'General case' 0 CA--C 1.562 1.407 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 -177.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.636 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 2.7 mt -70.31 -23.65 62.88 Favored 'General case' 0 N--CA 1.525 3.285 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 170.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.75 -38.2 95.54 Favored Glycine 0 C--N 1.382 3.11 0 O-C-N 124.919 1.387 . . . . 0.0 114.113 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.28 -27.16 47.33 Favored 'General case' 0 C--N 1.392 2.436 0 C-N-CA 123.636 0.774 . . . . 0.0 112.657 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -80.76 -30.72 36.04 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -76.41 -37.96 56.3 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 124.834 1.254 . . . . 0.0 112.997 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -30.69 68.52 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 125.315 1.446 . . . . 0.0 111.411 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -81.31 -29.5 34.2 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 123.633 0.773 . . . . 0.0 109.575 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.38 -39.76 64.88 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 124.822 1.326 . . . . 0.0 111.994 177.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -67.21 -38.92 86.11 Favored 'General case' 0 N--CA 1.503 2.223 0 C-N-CA 125.178 1.391 . . . . 0.0 111.069 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -74.2 -27.25 60.71 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 126.331 1.852 . . . . 0.0 113.312 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 m -79.16 -30.56 43.59 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 123.543 0.737 . . . . 0.0 110.529 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tp -71.73 -40.13 69.61 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 125.017 1.327 . . . . 0.0 110.344 177.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 78.7 p -70.49 -34.89 72.87 Favored 'General case' 0 N--CA 1.506 2.357 0 C-N-CA 125.42 1.488 . . . . 0.0 113.951 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -76.24 -38.51 56.21 Favored 'General case' 0 N--CA 1.516 2.85 0 CA-C-N 119.378 0.99 . . . . 0.0 112.93 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.41 -35.98 80.38 Favored 'General case' 0 C--N 1.387 2.215 0 C-N-CA 124.714 1.206 . . . . 0.0 111.434 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -65.59 -31.6 72.73 Favored 'General case' 0 C--N 1.39 2.343 0 C-N-CA 125.661 1.584 . . . . 0.0 111.614 176.582 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.68 94.5 Favored 'General case' 0 C--N 1.389 2.287 0 C-N-CA 124.261 1.024 . . . . 0.0 113.492 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.27 -30.81 67.93 Favored 'General case' 0 N--CA 1.512 2.638 0 C-N-CA 123.401 0.68 . . . . 0.0 112.119 174.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 56.0 t -60.95 -39.89 83.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.797 0 C-N-CA 126.548 1.939 . . . . 0.0 110.107 175.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -53.95 -32.75 54.8 Favored 'General case' 0 C--N 1.397 2.64 0 C-N-CA 125.275 1.43 . . . . 0.0 112.912 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -69.53 -38.13 77.39 Favored 'General case' 0 C--N 1.4 2.778 0 C-N-CA 125.534 1.534 . . . . 0.0 112.292 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.01 32.26 3.11 Favored Glycine 0 C--N 1.374 2.664 0 N-CA-C 115.951 1.14 . . . . 0.0 115.951 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.92 114.65 22.28 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-O 121.927 0.87 . . . . 0.0 109.157 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.27 -34.54 76.37 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 112.607 -2.088 . . . . 0.0 113.146 -176.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.5 m -71.45 -38.01 71.34 Favored 'General case' 0 CA--C 1.575 1.917 0 C-N-CA 124.425 1.09 . . . . 0.0 111.174 177.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -75.14 -22.72 57.96 Favored 'General case' 0 N--CA 1.509 2.491 0 C-N-CA 123.77 0.828 . . . . 0.0 112.417 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 t -77.5 -47.1 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 125.473 1.509 . . . . 0.0 110.026 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.78 -38.0 82.81 Favored 'General case' 0 C--N 1.39 2.336 0 C-N-CA 127.469 2.307 . . . . 0.0 112.658 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -40.26 95.23 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 126.484 1.914 . . . . 0.0 109.828 172.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 tt -72.5 -37.98 68.25 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.928 1.291 . . . . 0.0 109.947 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.46 -40.4 97.02 Favored 'General case' 0 N--CA 1.514 2.727 0 C-N-CA 125.006 1.322 . . . . 0.0 112.299 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.72 -37.48 73.53 Favored 'General case' 0 N--CA 1.516 2.871 0 C-N-CA 126.098 1.759 . . . . 0.0 110.977 176.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -72.25 -30.17 64.62 Favored 'General case' 0 CA--C 1.573 1.827 0 C-N-CA 125.339 1.456 . . . . 0.0 110.822 174.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.5 -46.03 60.85 Favored 'General case' 0 C--N 1.375 1.714 0 C-N-CA 124.607 1.163 . . . . 0.0 112.104 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.461 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.05 -40.44 82.82 Favored 'General case' 0 C--N 1.388 2.259 0 C-N-CA 124.918 1.287 . . . . 0.0 112.854 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.33 -37.82 83.9 Favored 'General case' 0 C--N 1.39 2.345 0 C-N-CA 126.123 1.769 . . . . 0.0 112.271 178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -73.81 -27.26 61.03 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 123.653 0.781 . . . . 0.0 112.621 176.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 39.9 mt -63.4 -46.13 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.523 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.2 mt-10 -65.73 -44.73 85.11 Favored 'General case' 0 N--CA 1.507 2.384 0 C-N-CA 124.738 1.215 . . . . 0.0 112.071 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.74 -43.88 57.87 Favored 'General case' 0 C--N 1.377 1.787 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.6 mp -86.84 -42.99 12.81 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -175.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 4.6 mt-30 -67.13 -40.14 86.72 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 123.845 0.716 . . . . 0.0 112.058 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.4 mtt180 -79.43 -39.38 32.5 Favored 'General case' 0 C--N 1.385 2.11 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -75.72 -28.83 58.73 Favored 'General case' 0 C--N 1.39 2.355 0 CA-C-N 118.957 0.799 . . . . 0.0 110.543 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.18 60.13 Favored 'General case' 0 C--N 1.39 2.343 0 C-N-CA 123.954 0.901 . . . . 0.0 109.169 173.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.13 -33.32 69.99 Favored 'General case' 0 C--N 1.41 3.236 0 C-N-CA 124.902 1.281 . . . . 0.0 114.061 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.3 p -85.72 -23.09 27.5 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 123.811 0.844 . . . . 0.0 110.636 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.58 -25.62 50.14 Favored 'General case' 0 C--N 1.39 2.369 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.812 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.2 p -75.14 -10.82 59.83 Favored 'General case' 0 N--CA 1.515 2.782 0 C-N-CA 125.99 1.716 . . . . 0.0 112.299 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.489 1.504 0 C-N-CA 124.492 1.117 . . . . 0.0 112.832 176.649 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.498 1.96 0 N-CA-C 111.24 0.089 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.437 ' H ' ' HG ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -75.73 -29.26 58.85 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.944 1.298 . . . . 0.0 113.821 179.628 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -67.84 -36.66 80.72 Favored 'General case' 0 C--N 1.386 2.161 0 C-N-CA 123.995 0.918 . . . . 0.0 112.428 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.97 -37.31 85.66 Favored 'General case' 0 C--N 1.39 2.351 0 C-N-CA 125.836 1.654 . . . . 0.0 111.452 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 2.0 mpt_? -69.88 -47.87 60.91 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 124.122 0.969 . . . . 0.0 110.666 175.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.412 HD11 HD22 ' A' ' 46' ' ' LEU . 3.9 mp -59.12 -61.41 2.65 Favored 'General case' 0 CA--C 1.594 2.639 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.88 -48.0 8.15 Favored 'General case' 0 C--N 1.383 2.057 0 N-CA-C 116.524 2.046 . . . . 0.0 116.524 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.29 -37.39 71.86 Favored 'General case' 0 N--CA 1.51 2.55 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -178.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 17.3 m-85 -73.86 -32.23 63.54 Favored 'General case' 0 C--N 1.392 2.432 0 CA-C-N 118.474 0.579 . . . . 0.0 112.116 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -65.95 -38.11 87.77 Favored 'General case' 0 C--N 1.399 2.759 0 CA-C-O 118.613 -0.708 . . . . 0.0 112.506 175.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.92 -41.26 95.71 Favored 'General case' 0 N--CA 1.52 3.05 0 C-N-CA 125.288 1.435 . . . . 0.0 114.277 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -65.97 -37.2 85.38 Favored 'General case' 0 N--CA 1.508 2.435 0 C-N-CA 124.5 1.12 . . . . 0.0 112.491 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.79 -31.0 68.68 Favored 'General case' 0 C--N 1.378 1.828 0 C-N-CA 124.97 1.308 . . . . 0.0 112.229 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -64.99 -42.43 94.52 Favored 'General case' 0 N--CA 1.513 2.688 0 C-N-CA 125.57 1.548 . . . . 0.0 114.15 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -73.08 -38.67 66.34 Favored 'General case' 0 N--CA 1.508 2.426 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.78 -32.89 73.2 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 123.455 0.472 . . . . 0.0 110.128 173.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.19 -31.49 67.7 Favored 'General case' 0 C--N 1.382 1.995 0 C-N-CA 125.201 1.4 . . . . 0.0 112.328 175.189 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.6 -37.95 83.3 Favored 'General case' 0 C--N 1.406 3.059 0 C-N-CA 125.127 1.371 . . . . 0.0 111.327 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.75 -38.21 90.23 Favored 'General case' 0 C--N 1.395 2.571 0 C-N-CA 125.432 1.493 . . . . 0.0 110.623 176.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -66.87 -39.07 87.43 Favored 'General case' 0 C--N 1.39 2.342 0 C-N-CA 125.148 1.379 . . . . 0.0 110.653 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -72.99 -45.85 55.6 Favored 'General case' 0 C--N 1.392 2.448 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.09 -40.83 78.17 Favored 'General case' 0 N--CA 1.515 2.821 0 C-N-CA 124.501 1.12 . . . . 0.0 113.785 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.51 -33.19 72.47 Favored 'General case' 0 N--CA 1.502 2.175 0 C-N-CA 124.51 1.124 . . . . 0.0 111.415 178.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.32 -36.52 79.41 Favored 'General case' 0 C--N 1.383 2.031 0 C-N-CA 125.397 1.479 . . . . 0.0 113.054 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -68.16 -43.77 77.51 Favored 'General case' 0 N--CA 1.509 2.475 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.97 -37.95 72.76 Favored 'General case' 0 C--N 1.39 2.33 0 CA-C-N 113.864 -1.516 . . . . 0.0 112.985 -177.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -87.61 -13.81 41.76 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 123.774 0.83 . . . . 0.0 113.029 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.86 85.27 Favored 'General case' 0 N--CA 1.519 2.978 0 C-N-CA 125.678 1.591 . . . . 0.0 111.386 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -75.47 -16.01 60.36 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 126.028 1.731 . . . . 0.0 112.854 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -99.11 -27.39 13.85 Favored 'General case' 0 CA--C 1.579 2.081 0 C-N-CA 125.148 1.379 . . . . 0.0 110.518 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.36 24.94 3.16 Favored 'General case' 0 N--CA 1.528 3.447 0 C-N-CA 128.195 2.598 . . . . 0.0 116.163 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -93.99 149.72 37.37 Favored Pre-proline 0 CA--C 1.578 2.056 0 CA-C-O 117.724 -1.131 . . . . 0.0 111.946 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -49.7 -8.41 0.11 Allowed 'Trans proline' 2 C--N 1.442 5.496 1 C-N-CA 125.949 4.433 . . . . 0.0 118.708 178.88 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -67.58 -17.85 64.78 Favored 'General case' 0 N--CA 1.518 2.969 0 C-N-CA 124.266 1.026 . . . . 0.0 113.611 -178.365 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.419 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -76.89 -34.14 57.77 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.605 1.562 . . . . 0.0 109.965 177.34 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.51 -35.73 70.84 Favored 'General case' 0 C--N 1.386 2.175 0 C-N-CA 124.738 1.215 . . . . 0.0 111.011 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.22 -38.01 78.33 Favored 'General case' 0 CA--C 1.574 1.891 0 C-N-CA 123.961 0.904 . . . . 0.0 111.99 176.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 8.5 mt-10 -77.02 -47.29 21.06 Favored 'General case' 0 N--CA 1.512 2.63 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.4 mt -69.27 -41.57 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.911 0 C-N-CA 124.502 1.121 . . . . 0.0 110.897 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 93.0 m -62.56 -40.0 95.45 Favored 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 124.849 1.26 . . . . 0.0 110.982 177.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.26 97.86 Favored 'General case' 0 N--CA 1.513 2.68 0 C-N-CA 124.453 1.101 . . . . 0.0 113.221 177.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.08 -27.25 57.13 Favored 'General case' 0 C--N 1.381 1.937 0 C-N-CA 124.784 1.234 . . . . 0.0 111.973 177.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -37.01 81.23 Favored 'General case' 0 C--N 1.39 2.35 0 C-N-CA 125.951 1.701 . . . . 0.0 112.708 177.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -75.18 -36.7 61.45 Favored 'General case' 0 C--N 1.388 2.271 0 C-N-CA 125.491 1.516 . . . . 0.0 110.073 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -70.68 -35.1 72.65 Favored 'General case' 0 C--N 1.385 2.117 0 C-N-CA 125.532 1.533 . . . . 0.0 112.461 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.13 -39.74 95.55 Favored 'General case' 0 C--N 1.383 2.056 0 C-N-CA 124.764 1.226 . . . . 0.0 109.938 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.9 p -78.04 -40.28 39.27 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 124.015 0.822 . . . . 0.0 113.155 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -70.7 -36.68 73.39 Favored 'General case' 0 N--CA 1.512 2.636 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 15.0 p -75.09 -38.41 61.21 Favored 'General case' 0 C--N 1.38 1.9 0 CA-C-O 118.961 -0.543 . . . . 0.0 112.287 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -64.02 -37.68 88.31 Favored 'General case' 0 C--N 1.385 2.129 0 C-N-CA 124.993 1.317 . . . . 0.0 112.773 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 23.0 m -72.32 -44.09 63.19 Favored 'General case' 0 N--CA 1.5 2.025 0 C-N-CA 124.564 1.145 . . . . 0.0 112.195 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.69 78.25 Favored 'General case' 0 C--N 1.377 1.768 0 C-N-CA 125.276 1.43 . . . . 0.0 113.115 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 35.8 mt -71.14 -40.21 74.76 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.871 0 C-N-CA 125.477 1.511 . . . . 0.0 111.185 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.67 97.03 Favored 'General case' 0 C--N 1.396 2.596 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.99 -41.79 77.35 Favored 'General case' 0 N--CA 1.514 2.757 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.8 p -71.12 -37.95 72.32 Favored 'General case' 0 N--CA 1.51 2.538 0 C-N-CA 124.01 0.924 . . . . 0.0 112.926 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -72.03 -34.39 68.76 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 123.962 0.905 . . . . 0.0 112.579 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -65.6 -36.3 83.33 Favored 'General case' 0 N--CA 1.514 2.753 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.87 -33.31 70.49 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 124.481 1.112 . . . . 0.0 111.668 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.5 mt -79.87 -36.56 36.42 Favored 'General case' 0 N--CA 1.501 2.1 0 C-N-CA 125.18 1.392 . . . . 0.0 112.541 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.67 -26.45 59.86 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 125.753 1.621 . . . . 0.0 114.38 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? . . . . . 0 C--N 1.398 2.701 0 C-N-CA 126.914 2.086 . . . . 0.0 113.16 -178.043 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo . . . . . 0 N--CA 1.527 3.493 0 N-CA-C 117.286 1.995 . . . . 0.0 117.286 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mt -74.54 -36.29 63.14 Favored 'General case' 0 N--CA 1.506 2.334 0 C-N-CA 123.88 0.872 . . . . 0.0 111.832 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -34.03 55.2 Favored 'General case' 0 C--N 1.375 1.683 0 C-N-CA 125.472 1.509 . . . . 0.0 112.303 178.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.61 -31.68 68.75 Favored 'General case' 0 C--N 1.381 1.943 0 C-N-CA 124.174 0.989 . . . . 0.0 109.248 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -66.28 -38.07 86.92 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.566 1.146 . . . . 0.0 111.661 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.8 m -71.69 -41.16 68.98 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 124.187 0.995 . . . . 0.0 110.918 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mt -58.4 -43.74 88.71 Favored 'General case' 0 C--N 1.387 2.218 0 O-C-N 124.32 1.012 . . . . 0.0 112.231 173.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -65.68 -39.94 91.82 Favored 'General case' 0 C--N 1.4 2.795 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -70.2 -36.99 74.97 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.47 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.76 -30.5 71.49 Favored 'General case' 0 N--CA 1.505 2.321 0 C-N-CA 124.158 0.983 . . . . 0.0 111.638 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.7 t -75.95 -46.01 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.359 0 C-N-CA 125.524 1.529 . . . . 0.0 111.038 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.26 68.48 Favored 'General case' 0 N--CA 1.505 2.311 0 C-N-CA 123.351 0.661 . . . . 0.0 111.405 175.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.15 -40.11 90.31 Favored 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 125.567 1.547 . . . . 0.0 110.334 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -36.2 70.64 Favored 'General case' 0 C--N 1.38 1.915 0 C-N-CA 124.382 1.073 . . . . 0.0 110.886 178.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -59.67 -41.53 90.85 Favored 'General case' 0 N--CA 1.505 2.3 0 C-N-CA 127.484 2.314 . . . . 0.0 111.647 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.28 -15.16 59.57 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 177.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.64 -19.48 17.52 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.534 1.133 . . . . 0.0 109.738 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.39 15.41 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 127.206 2.202 . . . . 0.0 111.555 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.81 -78.96 0.15 Allowed Glycine 0 N--CA 1.486 2.028 0 CA-C-O 117.353 -1.804 . . . . 0.0 114.453 -173.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -66.2 -2.04 6.36 Favored 'Trans proline' 0 CA--C 1.602 3.916 0 C-N-CA 123.469 2.779 . . . . 0.0 116.838 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 mt -90.74 -13.13 34.64 Favored 'General case' 0 CA--C 1.584 2.262 0 C-N-CA 125.352 1.461 . . . . 0.0 112.522 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.551 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.513 2.702 0 C-N-CA 127.492 2.317 . . . . 0.0 115.405 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.906 0 CA-C-O 122.079 0.943 . . . . 0.0 109.163 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -83.0 7.02 16.83 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 113.589 -1.642 . . . . 0.0 113.526 -177.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -79.47 -28.11 41.55 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.304 1.042 . . . . 0.0 110.574 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.44 -6.88 32.9 Favored 'General case' 0 C--N 1.391 2.412 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -117.12 153.67 32.38 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 122.957 0.503 . . . . 0.0 112.294 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.01 109.54 14.23 Favored 'General case' 0 C--N 1.381 1.967 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.6 t -157.73 140.41 14.8 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 113.406 -1.725 . . . . 0.0 108.575 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -83.05 -31.65 27.26 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.219 -1.355 . . . . 0.0 112.835 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.21 81.75 1.32 Allowed Glycine 0 C--N 1.377 2.828 0 N-CA-C 107.717 -2.153 . . . . 0.0 107.717 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.79 -54.06 1.14 Allowed 'General case' 0 C--N 1.377 1.782 0 CA-C-O 121.177 0.513 . . . . 0.0 110.639 -173.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.436 ' HG2' ' H ' ' A' ' 47' ' ' GLY 0.257 55.9 ttt180 -177.58 175.59 1.38 Allowed 'General case' 0 C--N 1.413 3.347 0 O-C-N 126.134 2.146 . . . . 0.0 112.477 -172.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.551 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 2.1 mt -67.86 -22.01 65.14 Favored 'General case' 0 N--CA 1.537 3.896 0 C-N-CA 125.228 1.411 . . . . 0.0 108.683 168.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.91 -35.03 81.12 Favored Glycine 0 C--N 1.375 2.737 0 C-N-CA 126.355 1.931 . . . . 0.0 114.822 177.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.06 -21.41 54.5 Favored 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 117.721 0.761 . . . . 0.0 111.791 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -81.98 -32.56 30.59 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.827 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -77.12 -35.1 56.56 Favored 'General case' 0 C--N 1.372 1.578 0 C-N-CA 124.953 1.301 . . . . 0.0 112.621 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.62 -38.88 77.41 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 125.3 1.44 . . . . 0.0 111.6 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -74.37 -30.07 61.83 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 123.485 0.714 . . . . 0.0 111.424 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.11 -38.91 69.23 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 113.848 -1.524 . . . . 0.0 111.684 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -37.68 75.95 Favored 'General case' 0 N--CA 1.502 2.165 0 C-N-CA 123.989 0.916 . . . . 0.0 110.84 175.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.91 -24.49 61.65 Favored 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 126.211 1.804 . . . . 0.0 112.551 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.14 -31.41 39.01 Favored 'General case' 0 C--N 1.382 1.997 0 C-N-CA 123.755 0.822 . . . . 0.0 109.809 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.3 tp -72.71 -40.2 66.36 Favored 'General case' 0 C--N 1.384 2.097 0 C-N-CA 124.911 1.284 . . . . 0.0 110.809 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.2 p -71.82 -32.38 67.51 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 125.783 1.633 . . . . 0.0 113.066 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -77.46 -35.27 54.02 Favored 'General case' 0 N--CA 1.507 2.406 0 C-N-CA 123.609 0.764 . . . . 0.0 112.657 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -71.03 -32.55 69.33 Favored 'General case' 0 C--N 1.386 2.195 0 C-N-CA 124.898 1.279 . . . . 0.0 111.358 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -32.93 74.49 Favored 'General case' 0 C--N 1.387 2.227 0 C-N-CA 126.306 1.842 . . . . 0.0 111.864 176.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.6 89.29 Favored 'General case' 0 C--N 1.392 2.454 0 C-N-CA 123.816 0.846 . . . . 0.0 111.284 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.62 -27.9 69.25 Favored 'General case' 0 C--N 1.395 2.571 0 C-N-CA 125.235 1.414 . . . . 0.0 113.475 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 82.1 t -64.32 -38.91 83.76 Favored 'Isoleucine or valine' 0 C--N 1.382 2.002 0 C-N-CA 125.391 1.476 . . . . 0.0 108.58 175.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -68.94 -11.71 60.94 Favored 'General case' 0 N--CA 1.502 2.169 0 C-N-CA 125.824 1.649 . . . . 0.0 112.263 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -88.11 -39.23 14.74 Favored 'General case' 0 C--N 1.38 1.926 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 172.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.85 39.87 0.87 Allowed Glycine 0 C--N 1.381 3.046 0 N-CA-C 116.889 1.516 . . . . 0.0 116.889 171.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.05 105.31 16.03 Favored 'General case' 0 C--N 1.374 1.673 0 CA-C-O 121.676 0.75 . . . . 0.0 109.459 176.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.15 -20.95 60.81 Favored 'General case' 0 N--CA 1.505 2.29 0 CA-C-N 114.048 -1.433 . . . . 0.0 112.3 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.9 m -71.1 -36.57 72.23 Favored 'General case' 0 CA--C 1.569 1.703 0 C-N-CA 125.504 1.522 . . . . 0.0 110.215 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -75.47 -22.12 57.51 Favored 'General case' 0 C--N 1.393 2.461 0 C-N-CA 124.087 0.955 . . . . 0.0 111.791 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.5 t -75.68 -49.4 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 C-N-CA 126.607 1.963 . . . . 0.0 109.968 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.0 -36.45 80.01 Favored 'General case' 0 C--N 1.379 1.862 0 C-N-CA 127.018 2.127 . . . . 0.0 112.691 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -46.93 84.43 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 125.924 1.689 . . . . 0.0 108.939 173.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.2 -40.52 97.73 Favored 'General case' 0 N--CA 1.509 2.501 0 O-C-N 124.792 1.308 . . . . 0.0 111.457 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.01 95.36 Favored 'General case' 0 N--CA 1.511 2.581 0 C-N-CA 124.779 1.231 . . . . 0.0 112.898 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.75 -37.88 73.47 Favored 'General case' 0 N--CA 1.519 2.992 0 C-N-CA 126.071 1.748 . . . . 0.0 111.64 177.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -71.04 -30.34 66.51 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 124.996 1.318 . . . . 0.0 110.24 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.493 HD11 HD13 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -67.85 -47.04 70.07 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 124.522 1.129 . . . . 0.0 112.162 179.158 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.44 -40.06 81.26 Favored 'General case' 0 C--N 1.384 2.101 0 C-N-CA 124.789 1.236 . . . . 0.0 113.257 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.44 81.81 Favored 'General case' 0 C--N 1.389 2.294 0 C-N-CA 125.712 1.605 . . . . 0.0 112.492 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -73.83 -27.31 61.04 Favored 'General case' 0 C--N 1.376 1.736 0 C-N-CA 123.957 0.903 . . . . 0.0 112.642 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 80' ' ' ALA . 30.7 mt -63.04 -46.28 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.564 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.45 -44.58 82.42 Favored 'General case' 0 N--CA 1.505 2.29 0 C-N-CA 124.652 1.181 . . . . 0.0 112.355 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.35 -45.24 56.24 Favored 'General case' 0 C--N 1.379 1.863 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.11 -45.64 11.88 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -175.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.53 -36.87 85.09 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -76.54 -41.02 48.12 Favored 'General case' 0 CA--C 1.595 2.7 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -75.26 -29.7 60.25 Favored 'General case' 0 C--N 1.402 2.856 0 CA-C-N 118.962 0.801 . . . . 0.0 109.78 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.38 -22.87 51.03 Favored 'General case' 0 C--N 1.384 2.075 0 C-N-CA 125.646 1.578 . . . . 0.0 110.801 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.16 95.6 Favored 'General case' 0 C--N 1.41 3.219 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 p -78.8 -27.74 44.49 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 124.058 0.943 . . . . 0.0 111.726 174.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.64 -28.33 63.62 Favored 'General case' 0 N--CA 1.502 2.158 0 C-N-CA 124.676 1.191 . . . . 0.0 112.424 173.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -8.43 1.3 Allowed 'General case' 0 C--N 1.421 3.705 0 C-N-CA 127.08 2.152 . . . . 0.0 112.845 175.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.503 2.198 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 178.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 . . . . . 0 CA--C 1.562 1.436 0 CA-C-O 119.189 -0.434 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 46.5 mt -63.73 -47.34 81.43 Favored 'General case' 0 N--CA 1.512 2.656 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -71.06 -36.84 72.44 Favored 'General case' 0 C--N 1.376 1.723 0 C-N-CA 125.599 1.56 . . . . 0.0 110.302 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.57 -29.68 69.81 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 124.686 1.195 . . . . 0.0 111.33 173.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.578 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -77.1 -48.82 16.74 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 123.324 0.65 . . . . 0.0 110.206 175.21 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.99 -63.69 1.05 Allowed 'General case' 0 CA--C 1.595 2.682 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.03 -43.58 28.97 Favored 'General case' 0 C--N 1.384 2.108 0 N-CA-C 117.347 2.351 . . . . 0.0 117.347 -177.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -75.07 -29.62 60.73 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.1 m-85 -70.78 -37.57 73.35 Favored 'General case' 0 C--N 1.389 2.285 0 CA-C-O 118.795 -0.621 . . . . 0.0 111.337 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -66.09 -39.71 90.21 Favored 'General case' 0 N--CA 1.509 2.506 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.19 -42.9 71.78 Favored 'General case' 0 N--CA 1.52 3.058 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -70.85 -35.67 72.53 Favored 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 124.031 0.932 . . . . 0.0 112.641 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -73.75 -24.3 59.86 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 124.511 1.124 . . . . 0.0 111.879 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -65.58 -49.39 68.98 Favored 'General case' 0 C--N 1.392 2.426 0 C-N-CA 125.513 1.525 . . . . 0.0 113.547 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -75.02 -34.46 61.9 Favored 'General case' 0 N--CA 1.51 2.533 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.9 -32.74 73.15 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 123.843 0.715 . . . . 0.0 110.018 172.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.493 HD13 HD11 ' A' ' 79' ' ' LEU . 1.6 mt -71.39 -34.01 70.01 Favored 'General case' 0 C--N 1.384 2.095 0 C-N-CA 124.674 1.19 . . . . 0.0 112.524 176.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.43 93.48 Favored 'General case' 0 C--N 1.407 3.096 0 C-N-CA 125.646 1.579 . . . . 0.0 112.141 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 64.2 mtt -64.52 -39.42 93.74 Favored 'General case' 0 C--N 1.389 2.297 0 O-C-N 125.053 1.47 . . . . 0.0 110.339 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -68.86 -38.07 79.52 Favored 'General case' 0 C--N 1.389 2.318 0 C-N-CA 124.559 1.144 . . . . 0.0 110.351 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -63.9 -38.43 91.06 Favored 'General case' 0 C--N 1.401 2.811 0 C-N-CA 125.511 1.524 . . . . 0.0 114.551 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.13 -40.1 82.56 Favored 'General case' 0 N--CA 1.506 2.349 0 C-N-CA 124.356 1.063 . . . . 0.0 111.263 177.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -75.48 -24.78 56.97 Favored 'General case' 0 C--N 1.382 2.021 0 C-N-CA 124.448 1.099 . . . . 0.0 112.593 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.29 -37.05 77.65 Favored 'General case' 0 N--CA 1.515 2.775 0 C-N-CA 125.42 1.488 . . . . 0.0 111.454 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -66.89 -38.61 86.61 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 124.731 1.212 . . . . 0.0 110.742 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.91 -36.29 75.26 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 125.007 1.323 . . . . 0.0 111.811 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -69.37 -36.47 76.85 Favored 'General case' 0 C--N 1.392 2.442 0 C-N-CA 125.203 1.401 . . . . 0.0 112.143 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.06 -37.09 84.97 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 124.975 1.31 . . . . 0.0 113.134 176.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -90.21 -39.38 12.83 Favored 'General case' 0 C--N 1.387 2.232 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -107.05 -30.0 9.07 Favored 'General case' 0 C--N 1.393 2.494 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -175.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 55.94 26.88 10.34 Favored 'General case' 0 N--CA 1.533 3.692 0 C-N-CA 127.398 2.279 . . . . 0.0 116.398 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.78 139.33 62.24 Favored Pre-proline 0 N--CA 1.504 2.265 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -56.38 -15.84 16.27 Favored 'Trans proline' 1 C--N 1.438 5.258 0 C-N-CA 124.741 3.628 . . . . 0.0 116.394 177.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.4 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 52.2 mt-30 -69.04 -38.28 79.06 Favored 'General case' 0 N--CA 1.527 3.376 0 C-N-CA 124.369 1.068 . . . . 0.0 113.128 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.18 -29.48 48.57 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 126.654 1.981 . . . . 0.0 109.914 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.71 78.34 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 126.735 2.014 . . . . 0.0 110.262 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.41 -33.19 71.07 Favored 'General case' 0 C--N 1.381 1.965 0 C-N-CA 124.163 0.985 . . . . 0.0 110.863 173.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 37.6 mt-10 -72.36 -43.41 64.07 Favored 'General case' 0 N--CA 1.512 2.664 0 C-N-CA 125.083 1.353 . . . . 0.0 114.555 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.6 mt -66.95 -43.23 89.38 Favored 'Isoleucine or valine' 0 C--N 1.407 3.101 0 C-N-CA 125.141 1.376 . . . . 0.0 109.091 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.3 m -62.19 -41.95 98.82 Favored 'General case' 0 CA--C 1.588 2.407 0 C-N-CA 125.98 1.712 . . . . 0.0 111.352 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.93 90.43 Favored 'General case' 0 N--CA 1.513 2.69 0 C-N-CA 124.464 1.106 . . . . 0.0 111.904 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 25.0 mt -73.24 -27.09 61.39 Favored 'General case' 0 C--N 1.38 1.897 0 C-N-CA 125.267 1.427 . . . . 0.0 112.164 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.78 -37.16 86.33 Favored 'General case' 0 C--N 1.393 2.476 0 C-N-CA 125.696 1.598 . . . . 0.0 111.606 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -75.18 -36.79 61.44 Favored 'General case' 0 C--N 1.39 2.362 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.322 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -71.26 -35.12 71.28 Favored 'General case' 0 C--N 1.387 2.2 0 C-N-CA 124.919 1.288 . . . . 0.0 113.112 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -38.36 90.76 Favored 'General case' 0 C--N 1.379 1.872 0 C-N-CA 124.605 1.162 . . . . 0.0 110.017 175.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.5 p -77.63 -39.65 44.51 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 124.031 0.832 . . . . 0.0 112.675 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -70.48 -34.32 72.24 Favored 'General case' 0 N--CA 1.517 2.895 0 C-N-CA 124.177 0.991 . . . . 0.0 113.636 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 80.8 m -71.37 -38.72 71.55 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 123.685 0.794 . . . . 0.0 110.435 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -57.78 -38.9 76.26 Favored 'General case' 0 C--N 1.393 2.466 0 C-N-CA 125.884 1.674 . . . . 0.0 113.184 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.01 -42.55 47.66 Favored 'General case' 0 CA--C 1.578 2.025 0 C-N-CA 124.475 1.11 . . . . 0.0 112.343 178.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.87 -38.46 83.1 Favored 'General case' 0 C--N 1.38 1.922 0 C-N-CA 125.58 1.552 . . . . 0.0 113.502 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 29.6 mt -69.22 -40.47 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.796 0 C-N-CA 125.946 1.698 . . . . 0.0 110.845 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.48 -42.47 98.57 Favored 'General case' 0 C--N 1.391 2.409 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.81 -41.56 71.44 Favored 'General case' 0 N--CA 1.515 2.796 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.2 p -70.87 -37.75 73.08 Favored 'General case' 0 N--CA 1.511 2.617 0 C-N-CA 124.312 1.045 . . . . 0.0 113.507 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -75.29 -28.96 59.95 Favored 'General case' 0 C--N 1.376 1.728 0 C-N-CA 123.973 0.909 . . . . 0.0 112.973 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -68.54 -37.66 80.15 Favored 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.44 73.46 Favored 'General case' 0 C--N 1.377 1.768 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.84 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.8 mt -73.85 -32.42 63.64 Favored 'General case' 0 C--N 1.388 2.263 0 C-N-CA 125.743 1.617 . . . . 0.0 112.631 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.06 -27.09 61.54 Favored 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 125.295 1.438 . . . . 0.0 113.358 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.381 1.953 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo . . . . . 0 N--CA 1.516 2.849 0 N-CA-C 114.795 1.036 . . . . 0.0 114.795 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -99.42 -46.58 5.45 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 123.494 0.718 . . . . 0.0 111.552 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -41.22 42.17 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 125.485 1.514 . . . . 0.0 112.575 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -33.38 73.22 Favored 'General case' 0 C--N 1.382 2.001 0 O-C-N 124.557 1.161 . . . . 0.0 111.795 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -35.27 75.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 124.617 1.198 . . . . 0.0 111.179 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.5 m -71.55 -41.2 69.39 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 124.042 0.937 . . . . 0.0 111.133 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.02 -43.66 91.61 Favored 'General case' 0 C--N 1.388 2.241 0 O-C-N 124.339 1.025 . . . . 0.0 111.715 173.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -45.26 89.43 Favored 'General case' 0 C--N 1.397 2.642 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -70.11 -35.61 74.25 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 117.824 -1.084 . . . . 0.0 111.489 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.16 -28.68 70.22 Favored 'General case' 0 N--CA 1.509 2.517 0 C-N-CA 124.073 0.949 . . . . 0.0 112.007 175.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.1 t -77.09 -46.66 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.462 0 C-N-CA 125.636 1.575 . . . . 0.0 111.735 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.14 -29.67 66.65 Favored 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 123.698 0.799 . . . . 0.0 111.745 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.04 87.85 Favored 'General case' 0 N--CA 1.513 2.723 0 C-N-CA 125.902 1.681 . . . . 0.0 110.19 171.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -35.92 74.65 Favored 'General case' 0 C--N 1.378 1.834 0 C-N-CA 125.066 1.347 . . . . 0.0 110.622 177.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -59.83 -43.19 94.71 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 127.194 2.197 . . . . 0.0 112.056 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.19 -14.45 59.06 Favored 'General case' 0 N--CA 1.499 2.014 0 C-N-CA 124.105 0.962 . . . . 0.0 113.232 178.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 mp -97.55 -17.73 19.39 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.532 1.133 . . . . 0.0 109.141 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.88 16.24 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 127.036 2.135 . . . . 0.0 111.069 176.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.78 -77.15 0.28 Allowed Glycine 0 C--N 1.366 2.222 0 CA-C-O 116.687 -2.174 . . . . 0.0 114.163 -172.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.4 -3.04 8.19 Favored 'Trans proline' 1 C--N 1.421 4.392 0 CA-C-N 122.364 3.082 . . . . 0.0 115.776 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.1 mt -88.43 -13.74 39.71 Favored 'General case' 0 CA--C 1.58 2.131 0 C-N-CA 125.169 1.388 . . . . 0.0 111.995 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.56 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.508 2.448 0 C-N-CA 126.72 2.008 . . . . 0.0 114.58 176.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 122.208 1.004 . . . . 0.0 109.8 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -83.42 3.41 32.03 Favored 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 113.522 -1.672 . . . . 0.0 113.907 -177.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -80.03 -22.44 42.39 Favored 'General case' 0 C--N 1.371 1.518 0 C-N-CA 124.559 1.144 . . . . 0.0 111.336 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -93.15 -5.26 50.59 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 123.919 0.888 . . . . 0.0 112.672 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -118.22 152.84 34.92 Favored 'General case' 0 C--N 1.382 1.986 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.91 105.25 9.46 Favored 'General case' 0 C--N 1.384 2.092 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 0.4 OUTLIER -178.77 172.68 1.33 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 113.144 -1.843 . . . . 0.0 110.222 -177.556 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -86.91 -41.08 14.25 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 176.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.3 78.87 0.12 Allowed Glycine 0 N--CA 1.509 3.516 0 N-CA-C 119.428 2.531 . . . . 0.0 119.428 169.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.85 19.69 2.32 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 69.8 ttt180 -152.6 146.66 25.37 Favored 'General case' 0 C--N 1.389 2.313 0 C-N-CA 126.237 1.815 . . . . 0.0 110.422 -175.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.56 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 1.6 mt -69.08 -25.58 64.5 Favored 'General case' 0 N--CA 1.524 3.272 0 C-N-CA 124.032 0.933 . . . . 0.0 110.665 172.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.528 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -60.09 -39.42 95.75 Favored Glycine 0 N--CA 1.5 2.936 0 C-N-CA 125.022 1.296 . . . . 0.0 116.24 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.476 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 3.0 m-20 -75.45 -24.94 57.06 Favored 'General case' 0 N--CA 1.513 2.685 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -83.95 -30.61 26.12 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.407 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.87 -37.99 64.57 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 125.194 1.398 . . . . 0.0 111.675 177.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -33.7 74.12 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 125.491 1.517 . . . . 0.0 111.62 177.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -74.32 -31.7 62.56 Favored 'General case' 0 C--N 1.377 1.761 0 C-N-CA 123.692 0.797 . . . . 0.0 110.991 176.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.72 -40.54 72.75 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 113.754 -1.566 . . . . 0.0 111.967 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -68.61 -36.36 78.57 Favored 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 124.526 1.13 . . . . 0.0 111.16 175.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -72.0 -24.64 61.6 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 126.87 2.068 . . . . 0.0 112.289 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.8 m -76.34 -32.61 58.76 Favored 'General case' 0 C--N 1.387 2.22 0 C-N-CA 124.449 1.1 . . . . 0.0 109.889 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.5 -37.31 68.43 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 123.658 0.783 . . . . 0.0 112.459 177.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.9 p -69.97 -44.82 68.69 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -75.42 -30.02 59.91 Favored 'General case' 0 N--CA 1.517 2.91 0 CA-C-N 121.101 1.773 . . . . 0.0 113.441 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -70.28 -31.49 68.87 Favored 'General case' 0 C--N 1.393 2.483 0 C-N-CA 123.531 0.733 . . . . 0.0 111.713 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.51 -31.7 71.14 Favored 'General case' 0 C--N 1.388 2.261 0 C-N-CA 125.944 1.698 . . . . 0.0 111.188 175.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.62 -39.93 92.03 Favored 'General case' 0 C--N 1.387 2.228 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.608 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.5 -28.72 69.39 Favored 'General case' 0 C--N 1.396 2.616 0 C-N-CA 124.923 1.289 . . . . 0.0 112.91 174.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.34 -40.01 87.44 Favored 'Isoleucine or valine' 0 C--N 1.382 2.011 0 C-N-CA 125.4 1.48 . . . . 0.0 108.893 175.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -67.03 -16.43 64.35 Favored 'General case' 0 N--CA 1.506 2.33 0 C-N-CA 125.982 1.713 . . . . 0.0 112.326 174.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -79.65 -38.46 33.65 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 172.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.04 34.32 1.68 Allowed Glycine 0 C--N 1.38 3.009 0 N-CA-C 116.564 1.385 . . . . 0.0 116.564 171.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.55 108.8 21.6 Favored 'General case' 0 C--N 1.373 1.628 0 CA-C-O 121.925 0.869 . . . . 0.0 109.41 177.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.47 -22.21 61.1 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 113.563 -1.653 . . . . 0.0 112.435 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.3 m -71.3 -37.09 71.84 Favored 'General case' 0 CA--C 1.571 1.773 0 C-N-CA 125.136 1.374 . . . . 0.0 110.029 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -74.79 -22.7 58.6 Favored 'General case' 0 C--N 1.393 2.463 0 C-N-CA 124.366 1.066 . . . . 0.0 111.99 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.7 t -75.38 -47.73 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 C-N-CA 126.34 1.856 . . . . 0.0 109.561 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.56 -35.99 80.08 Favored 'General case' 0 C--N 1.381 1.976 0 C-N-CA 127.067 2.147 . . . . 0.0 112.372 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -38.95 89.5 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 126.069 1.748 . . . . 0.0 110.27 173.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.0 tt -72.05 -39.25 69.21 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 125.178 1.391 . . . . 0.0 109.281 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.86 94.22 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 124.736 1.214 . . . . 0.0 112.193 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.76 -39.31 76.77 Favored 'General case' 0 N--CA 1.517 2.897 0 C-N-CA 125.956 1.702 . . . . 0.0 111.621 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -72.67 -28.94 63.02 Favored 'General case' 0 CA--C 1.574 1.898 0 C-N-CA 125.066 1.347 . . . . 0.0 110.582 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.59 -46.62 63.09 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 124.057 0.943 . . . . 0.0 111.59 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.25 -40.12 82.03 Favored 'General case' 0 C--N 1.386 2.18 0 C-N-CA 125.017 1.327 . . . . 0.0 112.996 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.64 85.42 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 125.82 1.648 . . . . 0.0 112.05 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -73.43 -27.55 61.5 Favored 'General case' 0 C--N 1.376 1.728 0 C-N-CA 123.674 0.79 . . . . 0.0 112.633 176.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 34.6 mt -63.33 -45.81 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.392 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.37 -45.82 78.81 Favored 'General case' 0 N--CA 1.507 2.404 0 C-N-CA 124.803 1.241 . . . . 0.0 112.398 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.52 -42.82 64.37 Favored 'General case' 0 C--N 1.38 1.904 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -85.7 -46.33 10.83 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 13.5 mt-30 -65.22 -37.71 88.12 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 123.765 0.665 . . . . 0.0 112.75 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -75.67 -42.52 51.0 Favored 'General case' 0 CA--C 1.586 2.336 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 178.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -72.0 -31.94 66.7 Favored 'General case' 0 N--CA 1.514 2.752 0 CA-C-N 119.731 1.151 . . . . 0.0 110.152 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.99 -24.93 58.51 Favored 'General case' 0 C--N 1.383 2.03 0 C-N-CA 125.078 1.351 . . . . 0.0 110.799 175.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.5 85.26 Favored 'General case' 0 C--N 1.415 3.426 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 -177.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 p -79.57 -19.94 48.19 Favored 'General case' 0 C--N 1.395 2.558 0 C-N-CA 126.22 1.808 . . . . 0.0 111.687 176.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.21 -35.18 73.73 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.054 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.2 p -77.44 -11.87 59.89 Favored 'General case' 0 C--N 1.404 2.956 0 C-N-CA 124.586 1.154 . . . . 0.0 112.725 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 tt . . . . . 0 N--CA 1.495 1.781 0 C-N-CA 127.166 2.186 . . . . 0.0 110.083 177.291 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 N--CA 1.495 1.802 0 N-CA-C 110.565 -0.161 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.83 -28.77 64.86 Favored 'General case' 0 N--CA 1.516 2.872 0 C-N-CA 125.26 1.424 . . . . 0.0 113.378 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -67.48 -35.12 78.54 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 125.129 1.372 . . . . 0.0 110.853 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -65.91 -35.69 81.31 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 125.57 1.548 . . . . 0.0 111.382 174.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -72.02 -49.54 36.03 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 123.639 0.776 . . . . 0.0 110.921 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.02 -60.9 2.52 Favored 'General case' 0 CA--C 1.589 2.479 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.86 -42.69 60.43 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 -177.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 41.6 mt-10 -71.04 -37.16 72.56 Favored 'General case' 0 N--CA 1.51 2.56 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -67.55 -39.52 84.96 Favored 'General case' 0 C--N 1.386 2.193 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 178.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -70.02 -39.5 75.77 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.5 -42.44 71.32 Favored 'General case' 0 N--CA 1.518 2.944 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -70.05 -36.95 75.38 Favored 'General case' 0 N--CA 1.503 2.219 0 C-N-CA 124.362 1.065 . . . . 0.0 112.561 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -73.49 -25.9 60.66 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 124.384 1.074 . . . . 0.0 112.537 177.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -48.33 68.26 Favored 'General case' 0 C--N 1.392 2.414 0 C-N-CA 125.165 1.386 . . . . 0.0 113.393 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -72.16 -38.2 69.2 Favored 'General case' 0 N--CA 1.508 2.459 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 152' ' ' LEU . 22.6 mt -59.92 -33.91 72.51 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 123.794 0.684 . . . . 0.0 110.326 174.144 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.3 mt -70.81 -34.87 72.18 Favored 'General case' 0 C--N 1.379 1.859 0 C-N-CA 124.684 1.194 . . . . 0.0 112.764 176.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.47 93.84 Favored 'General case' 0 C--N 1.408 3.114 0 C-N-CA 125.682 1.593 . . . . 0.0 111.93 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.0 mtt -63.83 -39.44 94.23 Favored 'General case' 0 C--N 1.389 2.317 0 O-C-N 125.026 1.454 . . . . 0.0 110.353 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 90.5 mttt -68.5 -38.75 81.24 Favored 'General case' 0 C--N 1.39 2.368 0 C-N-CA 124.74 1.216 . . . . 0.0 110.32 176.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -65.4 -36.97 85.56 Favored 'General case' 0 C--N 1.398 2.68 0 C-N-CA 125.206 1.402 . . . . 0.0 114.749 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.44 -39.89 85.44 Favored 'General case' 0 N--CA 1.508 2.433 0 C-N-CA 124.287 1.035 . . . . 0.0 111.114 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -76.24 -23.16 54.52 Favored 'General case' 0 C--N 1.382 1.996 0 C-N-CA 124.466 1.106 . . . . 0.0 112.486 177.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 43.2 mt-10 -69.04 -36.7 78.01 Favored 'General case' 0 N--CA 1.513 2.721 0 C-N-CA 125.269 1.428 . . . . 0.0 111.142 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -67.04 -39.36 86.94 Favored 'General case' 0 C--N 1.386 2.188 0 C-N-CA 124.831 1.253 . . . . 0.0 110.625 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.8 -37.76 79.47 Favored 'General case' 0 C--N 1.391 2.387 0 C-N-CA 124.946 1.298 . . . . 0.0 111.951 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -70.64 -33.48 71.04 Favored 'General case' 0 C--N 1.391 2.375 0 C-N-CA 124.911 1.284 . . . . 0.0 112.045 177.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.63 -37.9 87.88 Favored 'General case' 0 CA--C 1.573 1.851 0 C-N-CA 125.011 1.324 . . . . 0.0 113.124 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -90.41 -40.23 12.18 Favored 'General case' 0 C--N 1.385 2.122 0 N-CA-C 116.142 1.905 . . . . 0.0 116.142 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -105.8 -30.09 9.62 Favored 'General case' 0 C--N 1.394 2.505 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -174.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 55.31 26.32 8.48 Favored 'General case' 0 N--CA 1.532 3.67 0 C-N-CA 127.389 2.276 . . . . 0.0 116.494 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.45 137.77 63.67 Favored Pre-proline 0 N--CA 1.502 2.164 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -56.43 -15.19 14.52 Favored 'Trans proline' 1 C--N 1.435 5.121 0 C-N-CA 124.695 3.596 . . . . 0.0 116.784 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -68.68 -38.25 80.2 Favored 'General case' 0 N--CA 1.526 3.355 0 C-N-CA 124.268 1.027 . . . . 0.0 113.164 -178.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.507 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -77.79 -30.01 51.11 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 126.664 1.985 . . . . 0.0 110.055 -179.649 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.67 -37.68 79.8 Favored 'General case' 0 C--N 1.376 1.747 0 C-N-CA 126.85 2.06 . . . . 0.0 110.198 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.9 -33.85 72.75 Favored 'General case' 0 C--N 1.38 1.893 0 C-N-CA 124.157 0.983 . . . . 0.0 110.71 173.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.14 -42.68 65.71 Favored 'General case' 0 N--CA 1.512 2.636 0 C-N-CA 125.087 1.355 . . . . 0.0 114.391 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 6.5 mt -66.68 -43.43 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.17 0 C-N-CA 125.309 1.444 . . . . 0.0 109.139 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.2 m -62.75 -42.03 99.48 Favored 'General case' 0 CA--C 1.588 2.436 0 C-N-CA 125.916 1.686 . . . . 0.0 111.272 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.58 -39.0 92.32 Favored 'General case' 0 N--CA 1.513 2.703 0 C-N-CA 124.603 1.161 . . . . 0.0 112.173 175.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.52 -26.88 61.07 Favored 'General case' 0 C--N 1.38 1.922 0 C-N-CA 125.127 1.371 . . . . 0.0 112.036 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.76 -36.96 85.99 Favored 'General case' 0 C--N 1.393 2.491 0 C-N-CA 125.796 1.638 . . . . 0.0 111.781 176.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -74.96 -35.53 62.1 Favored 'General case' 0 C--N 1.392 2.424 0 C-N-CA 125.564 1.546 . . . . 0.0 110.044 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -70.48 -33.35 71.13 Favored 'General case' 0 C--N 1.389 2.299 0 C-N-CA 125.441 1.496 . . . . 0.0 112.717 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 122' ' ' LEU . 1.0 OUTLIER -66.66 -37.83 85.61 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 124.873 1.269 . . . . 0.0 109.424 174.751 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 18.3 p -77.12 -35.57 56.18 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 123.767 0.667 . . . . 0.0 112.362 176.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -69.87 -35.06 74.38 Favored 'General case' 0 N--CA 1.518 2.958 0 C-N-CA 124.084 0.954 . . . . 0.0 113.179 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 82.5 m -69.4 -38.05 77.78 Favored 'General case' 0 C--N 1.386 2.187 0 C-N-CA 123.965 0.906 . . . . 0.0 110.205 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -58.35 -38.34 77.02 Favored 'General case' 0 C--N 1.393 2.483 0 C-N-CA 126.274 1.83 . . . . 0.0 112.303 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.9 m -67.19 -42.95 83.33 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 125.267 1.427 . . . . 0.0 110.799 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.46 -38.78 88.1 Favored 'General case' 0 C--N 1.382 2.01 0 C-N-CA 126.043 1.737 . . . . 0.0 112.576 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 37.8 mt -67.88 -43.12 86.21 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.071 0 C-N-CA 126.074 1.749 . . . . 0.0 110.169 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.15 93.46 Favored 'General case' 0 C--N 1.39 2.36 0 C-N-CA 124.613 1.165 . . . . 0.0 113.857 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.74 -39.36 87.9 Favored 'General case' 0 N--CA 1.512 2.654 0 C-N-CA 125.04 1.336 . . . . 0.0 113.398 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.2 p -71.46 -31.9 67.7 Favored 'General case' 0 N--CA 1.51 2.547 0 C-N-CA 124.385 1.074 . . . . 0.0 112.549 178.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.04 -35.86 77.07 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 125.153 1.381 . . . . 0.0 111.874 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.57 -35.98 81.54 Favored 'General case' 0 N--CA 1.513 2.712 0 C-N-CA 125.389 1.475 . . . . 0.0 112.244 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -66.71 -33.7 76.22 Favored 'General case' 0 N--CA 1.501 2.096 0 C-N-CA 124.912 1.285 . . . . 0.0 111.507 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.8 mt -76.88 -33.03 57.85 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 125.263 1.425 . . . . 0.0 112.358 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -69.38 -44.56 71.24 Favored 'General case' 0 N--CA 1.511 2.62 0 C-N-CA 126.305 1.842 . . . . 0.0 114.742 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 . . . . . 0 C--N 1.374 1.669 0 C-N-CA 125.367 1.467 . . . . 0.0 113.949 -177.259 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo . . . . . 0 N--CA 1.524 3.278 0 N-CA-C 115.622 1.355 . . . . 0.0 115.622 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.0 -49.61 4.06 Favored 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 123.963 0.905 . . . . 0.0 111.403 177.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.26 -37.93 51.98 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 125.361 1.464 . . . . 0.0 112.697 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -32.18 70.56 Favored 'General case' 0 C--N 1.381 1.938 0 C-N-CA 124.327 1.051 . . . . 0.0 110.248 178.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -36.35 79.25 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 124.534 1.146 . . . . 0.0 111.26 176.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -72.12 -41.12 67.57 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 123.709 0.804 . . . . 0.0 110.889 177.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.11 -43.56 91.91 Favored 'General case' 0 C--N 1.388 2.282 0 O-C-N 124.506 1.129 . . . . 0.0 112.216 173.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -66.17 -40.15 90.29 Favored 'General case' 0 C--N 1.4 2.804 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 m -70.11 -36.72 75.06 Favored 'General case' 0 C--N 1.377 1.802 0 CA-C-O 117.246 -1.359 . . . . 0.0 110.172 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.29 -28.66 70.17 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 119.173 0.897 . . . . 0.0 111.718 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.6 t -75.57 -46.85 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 C-N-CA 125.225 1.41 . . . . 0.0 110.584 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.57 -28.78 65.16 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 118.972 0.805 . . . . 0.0 111.212 175.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.44 94.63 Favored 'General case' 0 N--CA 1.507 2.384 0 C-N-CA 125.155 1.382 . . . . 0.0 108.803 171.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.98 -34.73 71.68 Favored 'General case' 0 C--N 1.375 1.693 0 CA-C-O 117.421 -1.276 . . . . 0.0 111.186 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -57.76 -42.79 84.71 Favored 'General case' 0 N--CA 1.531 3.599 0 C-N-CA 125.792 1.637 . . . . 0.0 112.699 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.66 -15.26 46.02 Favored 'General case' 0 CA--C 1.562 1.404 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mp -99.12 -18.61 17.62 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.706 0.803 . . . . 0.0 110.365 -176.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 pp -107.37 -19.13 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 125.255 1.422 . . . . 0.0 112.287 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.47 -69.81 0.73 Allowed Glycine 0 C--N 1.379 2.923 0 CA-C-O 116.894 -2.059 . . . . 0.0 114.016 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.31 -22.79 16.57 Favored 'Trans proline' 0 CA--C 1.597 3.666 0 CA-C-N 121.904 2.852 . . . . 0.0 116.705 174.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.0 0.3 57.47 Favored 'General case' 0 CA--C 1.587 2.381 0 C-N-CA 124.884 1.274 . . . . 0.0 113.462 177.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.427 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.51 2.532 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 121.853 0.835 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.01 0.58 47.54 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 113.733 -1.576 . . . . 0.0 113.402 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -77.97 -23.54 48.41 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 124.421 1.088 . . . . 0.0 111.546 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.03 -6.56 47.99 Favored 'General case' 0 C--N 1.39 2.334 0 C-N-CA 123.361 0.664 . . . . 0.0 112.392 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.2 153.17 34.31 Favored 'General case' 0 C--N 1.383 2.022 0 C-N-CA 123.73 0.812 . . . . 0.0 112.764 -178.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.46 104.9 9.0 Favored 'General case' 0 C--N 1.385 2.128 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.474 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 0.5 OUTLIER -174.79 174.37 2.6 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 113.51 -1.677 . . . . 0.0 110.964 -178.223 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -87.99 -40.85 13.55 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 175.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.21 65.71 3.28 Favored Glycine 0 N--CA 1.509 3.512 0 N-CA-C 119.802 2.681 . . . . 0.0 119.802 169.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.89 21.13 4.97 Favored 'General case' 0 C--N 1.371 1.506 0 CA-C-N 119.805 1.803 . . . . 0.0 106.632 176.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.456 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 66.6 ttt180 -150.23 144.0 25.33 Favored 'General case' 0 C--N 1.385 2.112 0 C-N-CA 126.022 1.729 . . . . 0.0 110.333 -176.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.427 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -70.44 -24.25 62.86 Favored 'General case' 0 N--CA 1.521 3.079 0 C-N-CA 123.991 0.917 . . . . 0.0 110.429 173.086 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.456 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -62.3 -39.26 97.49 Favored Glycine 0 C--N 1.378 2.914 0 C-N-CA 125.134 1.35 . . . . 0.0 115.918 177.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.474 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 3.0 m-20 -73.83 -26.75 60.76 Favored 'General case' 0 N--CA 1.517 2.879 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -82.85 -29.79 29.15 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.9 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.61 -37.07 60.07 Favored 'General case' 0 C--N 1.376 1.725 0 C-N-CA 125.195 1.398 . . . . 0.0 112.691 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -30.45 68.31 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 125.247 1.419 . . . . 0.0 111.137 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -77.63 -29.77 51.93 Favored 'General case' 0 C--N 1.375 1.7 0 C-N-CA 123.687 0.795 . . . . 0.0 109.923 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.14 71.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 125.136 1.522 . . . . 0.0 111.905 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -36.7 74.87 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 123.685 0.794 . . . . 0.0 111.797 174.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.27 -25.37 61.58 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 126.386 1.874 . . . . 0.0 112.536 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.4 m -77.45 -32.79 54.69 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 124.176 0.991 . . . . 0.0 109.873 178.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.61 -39.38 70.52 Favored 'General case' 0 CA--C 1.583 2.236 0 C-N-CA 125.51 1.524 . . . . 0.0 111.687 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.5 p -70.68 -44.57 66.74 Favored 'General case' 0 N--CA 1.509 2.514 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -75.04 -27.93 60.22 Favored 'General case' 0 N--CA 1.523 3.179 0 CA-C-N 120.979 1.718 . . . . 0.0 113.824 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.06 -32.13 70.09 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 123.641 0.776 . . . . 0.0 111.492 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 0.1 OUTLIER -68.62 -30.75 69.54 Favored 'General case' 0 C--N 1.386 2.179 0 C-N-CA 125.449 1.5 . . . . 0.0 111.27 175.524 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.64 92.61 Favored 'General case' 0 C--N 1.39 2.334 0 C-N-CA 124.359 1.063 . . . . 0.0 112.024 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.83 -27.54 68.95 Favored 'General case' 0 C--N 1.394 2.52 0 C-N-CA 125.065 1.346 . . . . 0.0 112.841 173.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 83.2 t -64.85 -38.98 84.12 Favored 'Isoleucine or valine' 0 C--N 1.382 1.985 0 C-N-CA 125.271 1.428 . . . . 0.0 108.374 174.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -64.53 -24.84 67.74 Favored 'General case' 0 N--CA 1.511 2.617 0 C-N-CA 125.581 1.553 . . . . 0.0 111.746 173.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -70.87 -39.51 72.83 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 118.856 0.753 . . . . 0.0 109.166 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.5 27.95 4.21 Favored Glycine 0 C--N 1.378 2.906 0 N-CA-C 115.854 1.101 . . . . 0.0 115.854 171.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.5 114.95 27.25 Favored 'General case' 0 C--N 1.372 1.581 0 CA-C-O 121.955 0.884 . . . . 0.0 110.02 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.34 -27.34 63.3 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 113.017 -1.901 . . . . 0.0 112.361 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.0 m -71.34 -37.92 71.69 Favored 'General case' 0 CA--C 1.571 1.773 0 C-N-CA 125.273 1.429 . . . . 0.0 110.279 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -74.72 -22.58 58.74 Favored 'General case' 0 C--N 1.388 2.254 0 C-N-CA 124.403 1.081 . . . . 0.0 112.005 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.3 t -76.29 -46.44 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 C-N-CA 125.675 1.59 . . . . 0.0 109.517 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.32 81.59 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 127.159 2.184 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -37.96 86.14 Favored 'General case' 0 N--CA 1.503 2.209 0 C-N-CA 126.711 2.004 . . . . 0.0 110.26 173.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.26 -38.69 68.81 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 125.499 1.52 . . . . 0.0 109.116 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.7 91.52 Favored 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 125.103 1.361 . . . . 0.0 112.245 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.79 -38.74 76.76 Favored 'General case' 0 N--CA 1.519 3.009 0 C-N-CA 126.024 1.729 . . . . 0.0 111.187 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -72.93 -29.26 62.97 Favored 'General case' 0 CA--C 1.574 1.885 0 C-N-CA 125.366 1.466 . . . . 0.0 110.611 174.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.52 -46.76 63.01 Favored 'General case' 0 C--N 1.377 1.762 0 C-N-CA 124.209 1.003 . . . . 0.0 111.9 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.4 -39.74 81.56 Favored 'General case' 0 C--N 1.384 2.105 0 C-N-CA 124.886 1.274 . . . . 0.0 112.914 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.51 -37.28 82.57 Favored 'General case' 0 C--N 1.388 2.281 0 C-N-CA 125.818 1.647 . . . . 0.0 112.399 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -73.55 -27.67 61.46 Favored 'General case' 0 C--N 1.375 1.716 0 C-N-CA 123.755 0.822 . . . . 0.0 112.638 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.492 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 28.6 mt -63.51 -45.64 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.275 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 175.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.0 mt-10 -66.93 -45.97 76.22 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 124.475 1.11 . . . . 0.0 112.505 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.82 -44.88 54.39 Favored 'General case' 0 C--N 1.378 1.806 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 mp -85.63 -44.76 12.33 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -174.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 34.9 mt-30 -68.5 -37.75 80.37 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 124.0 0.813 . . . . 0.0 113.016 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 6.5 mtt180 -78.17 -34.03 49.9 Favored 'General case' 0 C--N 1.387 2.206 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 178.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.07 -25.01 51.86 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-N 119.098 0.863 . . . . 0.0 109.634 177.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.6 57.22 Favored 'General case' 0 C--N 1.389 2.297 0 C-N-CA 124.402 1.081 . . . . 0.0 109.424 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.3 -29.22 63.65 Favored 'General case' 0 C--N 1.403 2.893 0 C-N-CA 125.638 1.575 . . . . 0.0 112.683 178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.05 -22.56 27.15 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.373 1.069 . . . . 0.0 109.821 175.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.59 -27.23 51.25 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 125.37 1.468 . . . . 0.0 112.067 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.3 p -78.63 -11.3 59.96 Favored 'General case' 0 N--CA 1.514 2.744 0 C-N-CA 125.384 1.474 . . . . 0.0 111.471 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.493 1.721 0 C-N-CA 127.342 2.257 . . . . 0.0 109.498 179.18 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 . . . . . 0 N--CA 1.493 1.684 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.18 -43.16 71.35 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 119.488 1.04 . . . . 0.0 112.502 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -72.72 -34.8 67.35 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 125.044 1.337 . . . . 0.0 111.588 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.15 -36.89 84.32 Favored 'General case' 0 C--N 1.383 2.06 0 C-N-CA 125.563 1.545 . . . . 0.0 111.087 173.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 3.0 mpt_? -75.08 -50.51 16.18 Favored 'General case' 0 C--N 1.371 1.529 0 CA-C-O 118.587 -0.72 . . . . 0.0 111.106 176.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.47 -60.35 3.03 Favored 'General case' 0 CA--C 1.597 2.778 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.96 -42.35 19.54 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 40.0 mt-10 -71.76 -35.52 70.11 Favored 'General case' 0 N--CA 1.512 2.651 0 CA-C-N 119.597 1.089 . . . . 0.0 113.688 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.54 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.3 m-85 -66.76 -41.03 88.41 Favored 'General case' 0 C--N 1.394 2.537 0 CA-C-O 118.606 -0.712 . . . . 0.0 111.673 177.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -66.09 -37.61 86.21 Favored 'General case' 0 C--N 1.394 2.515 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.5 -42.87 82.15 Favored 'General case' 0 N--CA 1.519 2.992 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -70.73 -34.64 72.11 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 124.244 1.018 . . . . 0.0 112.29 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.58 -26.88 61.87 Favored 'General case' 0 C--N 1.379 1.89 0 C-N-CA 124.977 1.311 . . . . 0.0 112.404 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -47.31 69.08 Favored 'General case' 0 C--N 1.39 2.336 0 C-N-CA 125.147 1.379 . . . . 0.0 113.16 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -72.13 -38.78 69.17 Favored 'General case' 0 N--CA 1.509 2.523 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.9 -33.26 72.85 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 123.686 0.616 . . . . 0.0 110.464 174.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -34.65 72.2 Favored 'General case' 0 C--N 1.38 1.933 0 C-N-CA 124.951 1.301 . . . . 0.0 111.794 176.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.51 91.41 Favored 'General case' 0 C--N 1.41 3.205 0 C-N-CA 125.579 1.552 . . . . 0.0 112.408 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.8 mtt -64.53 -39.52 93.92 Favored 'General case' 0 C--N 1.388 2.259 0 O-C-N 124.826 1.329 . . . . 0.0 110.52 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -70.08 -38.62 75.75 Favored 'General case' 0 C--N 1.383 2.024 0 C-N-CA 124.412 1.085 . . . . 0.0 110.635 176.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -63.48 -38.72 92.21 Favored 'General case' 0 C--N 1.397 2.647 0 C-N-CA 125.062 1.345 . . . . 0.0 114.57 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.33 -40.01 77.84 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 124.09 0.956 . . . . 0.0 111.234 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -74.11 -28.47 61.37 Favored 'General case' 0 N--CA 1.503 2.221 0 C-N-CA 124.322 1.049 . . . . 0.0 112.854 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -69.01 -36.09 77.41 Favored 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 125.376 1.471 . . . . 0.0 111.62 176.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -66.27 -38.73 88.52 Favored 'General case' 0 C--N 1.388 2.259 0 C-N-CA 125.066 1.347 . . . . 0.0 110.377 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -68.63 -36.81 79.12 Favored 'General case' 0 C--N 1.388 2.263 0 C-N-CA 125.0 1.32 . . . . 0.0 111.736 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -70.13 -33.14 71.45 Favored 'General case' 0 C--N 1.392 2.445 0 C-N-CA 125.006 1.322 . . . . 0.0 111.97 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.4 -38.54 90.26 Favored 'General case' 0 CA--C 1.573 1.846 0 C-N-CA 125.001 1.32 . . . . 0.0 113.169 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -91.36 -38.72 12.44 Favored 'General case' 0 C--N 1.385 2.151 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -105.69 -29.85 9.83 Favored 'General case' 0 C--N 1.394 2.506 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -175.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 56.38 27.49 12.09 Favored 'General case' 0 N--CA 1.53 3.532 0 C-N-CA 127.386 2.274 . . . . 0.0 116.554 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.57 136.97 59.19 Favored Pre-proline 0 N--CA 1.502 2.166 0 N-CA-C 113.296 0.851 . . . . 0.0 113.296 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -57.29 -15.01 17.26 Favored 'Trans proline' 1 C--N 1.436 5.135 0 C-N-CA 124.775 3.65 . . . . 0.0 116.678 177.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 52.1 mt-30 -68.73 -37.63 79.6 Favored 'General case' 0 N--CA 1.528 3.436 0 C-N-CA 124.517 1.127 . . . . 0.0 113.187 -177.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.3 OUTLIER -77.72 -29.28 51.15 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 126.381 1.872 . . . . 0.0 110.359 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.09 -37.81 75.52 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 127.026 2.13 . . . . 0.0 111.267 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.28 -34.6 72.97 Favored 'General case' 0 C--N 1.379 1.882 0 O-C-N 124.158 0.911 . . . . 0.0 110.35 173.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 36.9 mt-10 -72.74 -41.94 64.61 Favored 'General case' 0 C--N 1.393 2.492 0 C-N-CA 125.145 1.378 . . . . 0.0 113.703 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.15 -38.81 78.56 Favored 'Isoleucine or valine' 0 C--N 1.401 2.82 0 C-N-CA 124.799 1.24 . . . . 0.0 112.277 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.0 m -66.93 -38.82 86.9 Favored 'General case' 0 CA--C 1.582 2.191 0 C-N-CA 125.783 1.633 . . . . 0.0 110.151 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.95 95.16 Favored 'General case' 0 N--CA 1.514 2.761 0 C-N-CA 124.737 1.215 . . . . 0.0 112.444 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.2 mt -73.65 -27.41 61.24 Favored 'General case' 0 C--N 1.378 1.833 0 C-N-CA 125.14 1.376 . . . . 0.0 111.736 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -36.62 83.33 Favored 'General case' 0 C--N 1.392 2.414 0 C-N-CA 125.82 1.648 . . . . 0.0 112.255 176.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -74.83 -36.16 62.41 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 125.383 1.473 . . . . 0.0 109.941 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -71.43 -33.96 69.88 Favored 'General case' 0 C--N 1.386 2.192 0 C-N-CA 125.322 1.449 . . . . 0.0 112.566 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -38.18 89.46 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 124.38 1.072 . . . . 0.0 110.064 174.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.2 p -77.14 -39.1 50.44 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.822 0.701 . . . . 0.0 112.569 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -71.49 -32.91 68.78 Favored 'General case' 0 N--CA 1.516 2.826 0 C-N-CA 124.117 0.967 . . . . 0.0 113.566 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 3.9 t -73.59 -37.86 65.31 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 123.744 0.817 . . . . 0.0 109.7 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -58.31 -38.21 76.62 Favored 'General case' 0 C--N 1.396 2.594 0 C-N-CA 125.902 1.681 . . . . 0.0 112.71 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 6.4 m -71.5 -40.83 69.93 Favored 'General case' 0 CA--C 1.581 2.153 0 C-N-CA 124.899 1.28 . . . . 0.0 111.092 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.63 -37.99 80.17 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 126.019 1.728 . . . . 0.0 113.07 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 30.7 mt -65.68 -42.7 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 126.387 1.875 . . . . 0.0 110.902 176.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.69 97.46 Favored 'General case' 0 C--N 1.39 2.329 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.55 -41.36 72.56 Favored 'General case' 0 N--CA 1.515 2.777 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.4 p -71.2 -37.13 72.11 Favored 'General case' 0 N--CA 1.51 2.529 0 C-N-CA 124.13 0.972 . . . . 0.0 113.362 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -73.48 -30.98 63.49 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 124.286 1.034 . . . . 0.0 112.891 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -69.07 -37.01 78.25 Favored 'General case' 0 N--CA 1.509 2.511 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.77 74.0 Favored 'General case' 0 C--N 1.377 1.762 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.829 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.1 mt -73.31 -32.35 64.54 Favored 'General case' 0 C--N 1.388 2.27 0 C-N-CA 126.017 1.727 . . . . 0.0 112.576 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -72.93 -27.64 61.97 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 125.168 1.387 . . . . 0.0 113.616 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.382 2.014 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -177.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo . . . . . 0 N--CA 1.521 3.138 0 N-CA-C 115.041 1.131 . . . . 0.0 115.041 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.74 -50.9 3.72 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.479 0.712 . . . . 0.0 111.73 178.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.11 -38.15 52.77 Favored 'General case' 0 C--N 1.377 1.79 0 C-N-CA 124.595 1.158 . . . . 0.0 112.231 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -31.97 73.02 Favored 'General case' 0 C--N 1.381 1.957 0 O-C-N 124.491 1.12 . . . . 0.0 109.782 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -39.13 88.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 124.897 1.373 . . . . 0.0 111.78 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.8 m -79.19 -20.78 47.52 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 123.65 0.78 . . . . 0.0 112.749 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.65 -47.75 25.06 Favored 'General case' 0 CA--C 1.566 1.596 0 CA-C-N 114.293 -1.322 . . . . 0.0 110.191 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -36.31 74.95 Favored 'General case' 0 C--N 1.393 2.486 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -71.0 -36.32 72.42 Favored 'General case' 0 C--N 1.385 2.111 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.789 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -63.46 -29.54 70.81 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 123.735 0.647 . . . . 0.0 111.017 174.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.2 t -74.61 -45.66 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.384 0 C-N-CA 125.172 1.389 . . . . 0.0 110.935 177.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.67 -28.45 65.88 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 119.194 0.907 . . . . 0.0 111.618 175.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.85 86.7 Favored 'General case' 0 N--CA 1.513 2.714 0 C-N-CA 126.26 1.824 . . . . 0.0 111.364 171.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -36.82 61.7 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 124.911 1.285 . . . . 0.0 110.739 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -63.21 -38.48 91.35 Favored 'General case' 0 N--CA 1.5 2.063 0 C-N-CA 127.078 2.151 . . . . 0.0 111.917 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -69.94 -29.7 66.91 Favored 'General case' 0 N--CA 1.511 2.589 0 C-N-CA 124.411 1.084 . . . . 0.0 111.804 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.77 -18.36 44.4 Favored 'General case' 0 CA--C 1.587 2.369 0 C-N-CA 124.952 1.301 . . . . 0.0 111.815 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.6 mt -111.54 17.33 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.638 0 C-N-CA 128.209 2.604 . . . . 0.0 108.232 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.26 -87.5 0.07 OUTLIER Glycine 0 C--N 1.377 2.807 0 CA-C-O 116.339 -2.367 . . . . 0.0 112.914 -175.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.84 -2.15 3.32 Favored 'Trans proline' 1 C--N 1.423 4.463 0 CA-C-N 122.563 3.181 . . . . 0.0 114.744 174.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.4 -10.44 52.03 Favored 'General case' 0 CA--C 1.578 2.039 0 C-N-CA 127.348 2.259 . . . . 0.0 112.953 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.402 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.498 1.974 0 C-N-CA 126.913 2.085 . . . . 0.0 116.195 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 121.877 0.846 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -85.8 -0.24 54.75 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 113.717 -1.583 . . . . 0.0 114.178 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -80.37 -21.74 42.08 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 123.59 0.756 . . . . 0.0 111.716 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mt -88.1 -3.42 58.89 Favored 'General case' 0 C--N 1.389 2.325 0 C-N-CA 124.331 1.052 . . . . 0.0 112.175 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -122.76 157.42 32.4 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 125.124 1.37 . . . . 0.0 112.376 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.06 112.68 18.06 Favored 'General case' 0 C--N 1.375 1.717 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -136.02 159.79 40.62 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.692 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -106.8 48.25 0.85 Allowed 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.31 -69.23 0.48 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 118.029 1.972 . . . . 0.0 118.029 170.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -175.35 65.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 118.72 1.26 . . . . 0.0 109.473 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -140.5 136.95 33.45 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.402 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -70.16 -25.91 63.67 Favored 'General case' 0 N--CA 1.526 3.365 0 O-C-N 124.017 0.823 . . . . 0.0 108.981 170.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.73 -36.74 93.73 Favored Glycine 0 C--N 1.379 2.969 0 C-N-CA 125.264 1.412 . . . . 0.0 114.719 176.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.52 -24.37 42.27 Favored 'General case' 0 C--N 1.392 2.437 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -177.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -81.25 -30.65 34.05 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.4 -38.4 55.71 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 125.404 1.482 . . . . 0.0 113.17 178.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -30.52 67.41 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 125.51 1.524 . . . . 0.0 111.527 177.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -81.18 -29.46 34.61 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 123.377 0.671 . . . . 0.0 109.75 178.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.24 -38.17 66.1 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.646 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -68.72 -37.39 79.43 Favored 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 124.497 1.119 . . . . 0.0 110.139 175.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -72.19 -24.38 61.41 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 126.496 1.919 . . . . 0.0 112.17 177.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.37 -30.6 42.63 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 124.034 0.934 . . . . 0.0 109.443 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.89 -40.92 65.19 Favored 'General case' 0 C--N 1.384 2.099 0 C-N-CA 124.628 1.171 . . . . 0.0 111.031 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.0 p -70.99 -30.33 66.55 Favored 'General case' 0 N--CA 1.505 2.295 0 C-N-CA 125.615 1.566 . . . . 0.0 113.215 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -77.75 -36.77 50.33 Favored 'General case' 0 N--CA 1.505 2.307 0 C-N-CA 123.462 0.705 . . . . 0.0 112.303 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -71.13 -30.83 66.98 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 124.825 1.25 . . . . 0.0 111.713 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.491 ' O ' HG22 ' A' ' 64' ' ' VAL . 1.9 mt-10 -67.78 -33.97 75.88 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 126.206 1.802 . . . . 0.0 111.824 176.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.67 93.76 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 123.53 0.732 . . . . 0.0 109.704 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.28 72.43 Favored 'General case' 0 C--N 1.394 2.523 0 N-CA-C 115.948 1.833 . . . . 0.0 115.948 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 61' ' ' GLU . 15.8 m -68.89 -31.18 49.56 Favored 'Isoleucine or valine' 0 C--N 1.391 2.402 0 CA-C-O 121.752 0.787 . . . . 0.0 111.534 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -74.54 -10.43 59.54 Favored 'General case' 0 CA--C 1.577 1.997 0 C-N-CA 126.826 2.05 . . . . 0.0 111.618 172.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -96.54 -11.12 25.88 Favored 'General case' 0 CA--C 1.575 1.913 0 C-N-CA 125.199 1.4 . . . . 0.0 111.609 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.82 52.48 3.12 Favored Glycine 0 C--N 1.381 3.051 0 N-CA-C 116.497 1.359 . . . . 0.0 116.497 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.14 91.76 3.63 Favored 'General case' 0 C--N 1.372 1.58 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 177.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.61 -20.67 61.24 Favored 'General case' 0 N--CA 1.506 2.354 0 CA-C-N 113.875 -1.511 . . . . 0.0 112.414 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.7 m -70.82 -35.64 72.58 Favored 'General case' 0 CA--C 1.571 1.766 0 C-N-CA 125.437 1.495 . . . . 0.0 109.899 175.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -76.48 -20.45 56.96 Favored 'General case' 0 C--N 1.393 2.499 0 C-N-CA 123.646 0.778 . . . . 0.0 111.774 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.2 t -74.69 -50.98 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 C-N-CA 126.662 1.985 . . . . 0.0 109.266 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.85 -36.06 77.68 Favored 'General case' 0 C--N 1.376 1.76 0 C-N-CA 126.677 1.991 . . . . 0.0 112.797 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -41.58 92.01 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.427 1.491 . . . . 0.0 110.419 173.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -73.99 -33.87 63.99 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 123.812 0.845 . . . . 0.0 110.991 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.99 90.28 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 124.282 1.033 . . . . 0.0 111.994 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.43 -37.81 74.46 Favored 'General case' 0 N--CA 1.516 2.859 0 C-N-CA 125.707 1.603 . . . . 0.0 111.169 176.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -70.86 -32.72 69.81 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 125.785 1.634 . . . . 0.0 111.059 174.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.7 -45.76 77.77 Favored 'General case' 0 CA--C 1.569 1.704 0 C-N-CA 123.98 0.912 . . . . 0.0 111.495 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.482 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -69.23 -40.17 78.08 Favored 'General case' 0 C--N 1.386 2.17 0 C-N-CA 125.091 1.357 . . . . 0.0 113.153 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.55 81.32 Favored 'General case' 0 C--N 1.388 2.274 0 C-N-CA 125.876 1.67 . . . . 0.0 112.153 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -73.34 -27.17 61.36 Favored 'General case' 0 C--N 1.375 1.708 0 CA-C-O 118.306 -0.854 . . . . 0.0 112.284 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 80' ' ' ALA . 21.7 mt -62.76 -45.39 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 CA-C-N 118.658 0.663 . . . . 0.0 109.866 176.014 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.15 -45.1 82.2 Favored 'General case' 0 N--CA 1.505 2.323 0 C-N-CA 124.668 1.187 . . . . 0.0 112.353 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.02 -43.9 56.37 Favored 'General case' 0 C--N 1.38 1.928 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.5 -44.78 13.29 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 16.9 mt-30 -68.36 -36.48 79.26 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-N 119.339 0.972 . . . . 0.0 112.715 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -78.64 -40.72 33.45 Favored 'General case' 0 CA--C 1.592 2.589 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -75.78 -30.79 59.23 Favored 'General case' 0 C--N 1.399 2.747 0 CA-C-O 121.19 0.519 . . . . 0.0 109.762 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.74 -22.95 49.52 Favored 'General case' 0 C--N 1.383 2.048 0 C-N-CA 125.287 1.435 . . . . 0.0 110.806 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.11 85.13 Favored 'General case' 0 C--N 1.417 3.506 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -79.96 -27.43 39.75 Favored 'General case' 0 C--N 1.391 2.388 0 C-N-CA 124.347 1.059 . . . . 0.0 111.561 174.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.14 62.48 Favored 'General case' 0 C--N 1.377 1.792 0 C-N-CA 124.295 1.038 . . . . 0.0 112.696 173.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 76.0 p -60.04 -8.43 2.35 Favored 'General case' 1 N--CA 1.54 4.073 0 C-N-CA 125.824 1.65 . . . . 0.0 113.674 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.925 0 C-N-CA 126.487 1.915 . . . . 0.0 115.551 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 . . . . . 0 CA--C 1.557 1.218 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.23 -41.67 99.14 Favored 'General case' 0 N--CA 1.515 2.823 0 C-N-CA 123.735 0.814 . . . . 0.0 112.939 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -36.88 79.38 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.383 1.873 . . . . 0.0 112.116 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -70.24 -29.16 65.9 Favored 'General case' 0 C--N 1.379 1.877 0 O-C-N 124.356 1.035 . . . . 0.0 111.023 173.058 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 3.4 mpt_? -76.17 -45.26 34.24 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 123.648 0.779 . . . . 0.0 110.357 174.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -61.75 2.03 Favored 'General case' 0 CA--C 1.591 2.554 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.0 -45.8 32.74 Favored 'General case' 0 C--N 1.386 2.194 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 39.5 mt-10 -72.53 -33.89 67.19 Favored 'General case' 0 N--CA 1.509 2.488 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -178.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.564 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 5.3 m-85 -67.54 -38.45 84.21 Favored 'General case' 0 C--N 1.39 2.358 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.708 177.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -66.94 -39.47 87.33 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 177.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.58 -42.19 71.36 Favored 'General case' 0 N--CA 1.519 2.988 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -70.45 -36.71 74.1 Favored 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 124.33 1.052 . . . . 0.0 112.536 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 42.2 mt-10 -74.8 -23.32 58.48 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 124.247 1.019 . . . . 0.0 112.101 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -65.44 -49.97 67.13 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 125.513 1.525 . . . . 0.0 113.284 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -72.65 -39.0 67.52 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.01 -33.51 73.37 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 123.544 0.527 . . . . 0.0 110.437 174.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -70.3 -34.8 73.17 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 125.039 1.336 . . . . 0.0 112.117 175.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.26 88.6 Favored 'General case' 0 C--N 1.408 3.134 0 C-N-CA 125.627 1.571 . . . . 0.0 112.52 -178.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.4 mtt -64.18 -39.43 93.98 Favored 'General case' 0 C--N 1.388 2.262 0 O-C-N 124.787 1.304 . . . . 0.0 110.523 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -69.41 -38.15 77.79 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 125.165 1.386 . . . . 0.0 110.668 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -65.7 -37.42 86.41 Favored 'General case' 0 C--N 1.399 2.753 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.98 -39.58 83.27 Favored 'General case' 0 N--CA 1.509 2.494 0 C-N-CA 124.434 1.094 . . . . 0.0 111.169 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -74.46 -25.8 59.64 Favored 'General case' 0 C--N 1.385 2.114 0 C-N-CA 124.597 1.159 . . . . 0.0 112.404 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -68.55 -36.12 78.36 Favored 'General case' 0 N--CA 1.514 2.733 0 C-N-CA 125.488 1.515 . . . . 0.0 111.252 175.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -66.81 -38.35 86.32 Favored 'General case' 0 C--N 1.389 2.307 0 C-N-CA 125.131 1.372 . . . . 0.0 110.399 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.93 -34.95 74.14 Favored 'General case' 0 C--N 1.389 2.295 0 C-N-CA 124.973 1.309 . . . . 0.0 111.524 176.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -68.32 -36.93 80.04 Favored 'General case' 0 C--N 1.393 2.461 0 C-N-CA 124.993 1.317 . . . . 0.0 111.457 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.67 -37.96 89.37 Favored 'General case' 0 CA--C 1.571 1.757 0 C-N-CA 125.331 1.452 . . . . 0.0 113.469 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -90.74 -38.84 12.77 Favored 'General case' 0 C--N 1.387 2.2 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -108.47 -30.22 8.39 Favored 'General case' 0 C--N 1.396 2.603 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -174.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 56.11 26.03 9.69 Favored 'General case' 0 N--CA 1.532 3.653 0 C-N-CA 127.452 2.301 . . . . 0.0 116.686 -178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.44 138.93 59.21 Favored Pre-proline 0 N--CA 1.503 2.175 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -56.97 -14.89 15.45 Favored 'Trans proline' 1 C--N 1.437 5.198 0 C-N-CA 124.753 3.635 . . . . 0.0 116.62 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -69.13 -37.75 78.46 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 124.547 1.139 . . . . 0.0 113.265 -177.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.43 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -78.23 -29.2 48.12 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 126.526 1.931 . . . . 0.0 110.01 -179.56 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.73 -36.91 76.26 Favored 'General case' 0 C--N 1.378 1.813 0 C-N-CA 126.683 1.993 . . . . 0.0 110.135 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.73 -33.69 71.1 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 124.253 1.021 . . . . 0.0 110.73 173.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -71.69 -42.51 67.34 Favored 'General case' 0 N--CA 1.511 2.602 0 C-N-CA 125.185 1.394 . . . . 0.0 114.181 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.3 mt -67.22 -42.99 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.193 0 C-N-CA 125.322 1.449 . . . . 0.0 109.136 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.7 m -62.87 -41.87 99.54 Favored 'General case' 0 CA--C 1.588 2.442 0 C-N-CA 126.025 1.73 . . . . 0.0 111.586 177.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.15 96.51 Favored 'General case' 0 N--CA 1.514 2.747 0 C-N-CA 124.526 1.13 . . . . 0.0 112.496 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.09 -28.26 62.19 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 125.062 1.345 . . . . 0.0 111.834 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -36.56 84.42 Favored 'General case' 0 C--N 1.392 2.442 0 C-N-CA 126.346 1.858 . . . . 0.0 112.238 177.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -75.14 -35.19 61.68 Favored 'General case' 0 C--N 1.388 2.262 0 C-N-CA 125.321 1.448 . . . . 0.0 110.104 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -70.2 -35.76 74.15 Favored 'General case' 0 C--N 1.387 2.215 0 C-N-CA 125.12 1.368 . . . . 0.0 112.834 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -37.9 89.18 Favored 'General case' 0 C--N 1.379 1.885 0 C-N-CA 124.626 1.17 . . . . 0.0 110.271 174.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.1 p -77.11 -37.92 53.23 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 123.818 0.699 . . . . 0.0 112.416 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -69.95 -36.2 75.09 Favored 'General case' 0 N--CA 1.514 2.737 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 178.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 83.0 m -71.09 -39.42 72.14 Favored 'General case' 0 C--N 1.382 1.998 0 C-N-CA 123.756 0.822 . . . . 0.0 111.037 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -59.71 -38.83 82.72 Favored 'General case' 0 C--N 1.392 2.438 0 C-N-CA 125.624 1.57 . . . . 0.0 112.938 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.2 m -69.32 -42.72 75.01 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 125.264 1.426 . . . . 0.0 111.192 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.16 -38.75 86.0 Favored 'General case' 0 C--N 1.381 1.947 0 C-N-CA 126.179 1.792 . . . . 0.0 113.016 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 29.7 mt -69.52 -40.93 80.27 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.065 0 C-N-CA 126.16 1.784 . . . . 0.0 110.601 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.22 95.97 Favored 'General case' 0 C--N 1.39 2.357 0 C-N-CA 124.559 1.144 . . . . 0.0 113.671 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.56 -39.58 80.98 Favored 'General case' 0 N--CA 1.512 2.665 0 C-N-CA 124.954 1.302 . . . . 0.0 112.944 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.8 p -71.45 -32.39 68.26 Favored 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 124.526 1.13 . . . . 0.0 112.696 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -71.57 -35.08 70.46 Favored 'General case' 0 C--N 1.381 1.936 0 C-N-CA 124.838 1.255 . . . . 0.0 112.425 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.13 -37.86 81.55 Favored 'General case' 0 N--CA 1.51 2.55 0 C-N-CA 124.932 1.293 . . . . 0.0 113.257 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.61 -36.06 75.85 Favored 'General case' 0 C--N 1.375 1.677 0 C-N-CA 124.198 0.999 . . . . 0.0 110.279 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.6 mt -71.53 -28.74 64.09 Favored 'General case' 0 C--N 1.394 2.506 0 C-N-CA 125.512 1.525 . . . . 0.0 112.197 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -70.43 -30.46 67.32 Favored 'General case' 0 C--N 1.38 1.909 0 C-N-CA 125.547 1.539 . . . . 0.0 112.519 176.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.385 2.112 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo . . . . . 0 N--CA 1.523 3.227 0 N-CA-C 114.932 1.089 . . . . 0.0 114.932 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mt -99.66 -47.51 5.06 Favored 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 123.5 0.72 . . . . 0.0 111.873 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.25 -36.45 54.49 Favored 'General case' 0 C--N 1.376 1.745 0 C-N-CA 125.083 1.353 . . . . 0.0 112.687 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -33.29 72.17 Favored 'General case' 0 C--N 1.38 1.913 0 O-C-N 124.317 1.01 . . . . 0.0 110.467 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -68.01 -36.21 79.59 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 124.638 1.211 . . . . 0.0 111.387 177.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.3 m -71.59 -40.99 69.52 Favored 'General case' 0 C--N 1.381 1.94 0 C-N-CA 123.97 0.908 . . . . 0.0 110.871 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.58 -44.29 89.75 Favored 'General case' 0 C--N 1.389 2.311 0 O-C-N 124.311 1.007 . . . . 0.0 112.395 173.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -65.38 -39.92 92.87 Favored 'General case' 0 C--N 1.399 2.744 0 C-N-CA 125.223 1.409 . . . . 0.0 114.67 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -69.68 -36.22 75.8 Favored 'General case' 0 C--N 1.379 1.863 0 CA-C-O 117.861 -1.066 . . . . 0.0 109.989 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -62.6 -29.97 71.0 Favored 'General case' 0 N--CA 1.506 2.363 0 C-N-CA 124.121 0.968 . . . . 0.0 111.857 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -74.77 -45.79 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.558 0 C-N-CA 125.165 1.386 . . . . 0.0 110.379 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.29 -27.0 64.06 Favored 'General case' 0 N--CA 1.503 2.208 0 C-N-CA 123.711 0.804 . . . . 0.0 111.249 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.04 88.92 Favored 'General case' 0 N--CA 1.507 2.389 0 C-N-CA 125.378 1.471 . . . . 0.0 109.52 171.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.451 ' HB3' HD12 ' A' ' 21' ' ' ILE . 46.3 mt -73.87 -30.02 62.42 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 125.052 1.341 . . . . 0.0 110.974 175.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -60.47 -39.52 87.88 Favored 'General case' 0 N--CA 1.536 3.831 0 C-N-CA 126.339 1.856 . . . . 0.0 113.414 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.6 p -78.78 -31.77 46.22 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 124.847 1.342 . . . . 0.0 113.112 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -83.2 -24.06 32.58 Favored 'General case' 0 CA--C 1.581 2.159 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 17' ' ' LEU . 70.2 mt -110.77 19.27 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 C-N-CA 128.388 2.675 . . . . 0.0 109.161 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.01 -81.14 0.29 Allowed Glycine 0 N--CA 1.491 2.318 0 CA-C-O 116.558 -2.246 . . . . 0.0 112.53 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -65.66 -2.0 5.72 Favored 'Trans proline' 1 C--N 1.426 4.633 0 CA-C-N 122.586 3.193 . . . . 0.0 116.131 177.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mp -90.68 -6.28 54.7 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 126.002 1.721 . . . . 0.0 112.988 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.57 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.501 2.103 0 C-N-CA 126.373 1.869 . . . . 0.0 115.742 177.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 121.811 0.815 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -83.28 -2.77 56.45 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 113.922 -1.49 . . . . 0.0 114.373 -178.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -79.89 -18.23 51.18 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 123.731 0.812 . . . . 0.0 112.356 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -84.78 -3.92 58.83 Favored 'General case' 0 C--N 1.388 2.248 0 C-N-CA 123.998 0.919 . . . . 0.0 112.992 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.16 158.7 27.41 Favored 'General case' 0 C--N 1.377 1.782 0 C-N-CA 124.455 1.102 . . . . 0.0 111.521 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.87 108.94 14.53 Favored 'General case' 0 C--N 1.383 2.031 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.6 t -155.91 165.03 37.71 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.051 -1.886 . . . . 0.0 108.795 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -109.64 -27.9 9.13 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.738 0.815 . . . . 0.0 112.071 -178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.74 75.98 0.58 Allowed Glycine 0 C--N 1.377 2.815 0 N-CA-C 106.865 -2.494 . . . . 0.0 106.865 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.83 -62.64 1.17 Allowed 'General case' 0 C--N 1.379 1.876 0 O-C-N 124.502 0.766 . . . . 0.0 111.506 -171.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 176.94 178.68 0.24 Allowed 'General case' 0 C--N 1.41 3.219 0 O-C-N 126.002 2.064 . . . . 0.0 112.954 -173.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.57 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 1.3 mt -67.98 -23.48 65.03 Favored 'General case' 0 N--CA 1.529 3.508 0 C-N-CA 125.5 1.52 . . . . 0.0 108.265 169.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.35 -36.25 88.27 Favored Glycine 0 C--N 1.381 3.031 0 C-N-CA 125.427 1.489 . . . . 0.0 113.887 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.99 -21.38 43.7 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 117.107 0.454 . . . . 0.0 111.574 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -81.14 -32.86 33.53 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.3 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -77.52 -36.37 52.52 Favored 'General case' 0 C--N 1.372 1.566 0 C-N-CA 124.938 1.295 . . . . 0.0 112.469 176.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.99 -37.63 75.79 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.956 1.302 . . . . 0.0 112.003 178.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.61 -29.97 56.74 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 123.692 0.797 . . . . 0.0 111.039 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.57 -39.59 67.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 124.893 1.371 . . . . 0.0 111.851 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.6 -36.35 76.12 Favored 'General case' 0 N--CA 1.505 2.319 0 C-N-CA 124.769 1.228 . . . . 0.0 111.414 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -72.61 -25.52 61.34 Favored 'General case' 0 C--N 1.385 2.129 0 C-N-CA 126.593 1.957 . . . . 0.0 112.354 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.7 m -78.78 -30.01 45.34 Favored 'General case' 0 C--N 1.386 2.167 0 C-N-CA 123.598 0.759 . . . . 0.0 109.441 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.7 tp -70.84 -41.86 70.92 Favored 'General case' 0 C--N 1.388 2.255 0 C-N-CA 125.835 1.654 . . . . 0.0 110.252 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.4 p -71.73 -30.48 65.67 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 125.166 1.386 . . . . 0.0 112.9 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -78.22 -39.72 39.59 Favored 'General case' 0 N--CA 1.518 2.927 0 C-N-CA 124.18 0.992 . . . . 0.0 113.524 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -66.49 -33.12 74.98 Favored 'General case' 0 C--N 1.39 2.349 0 C-N-CA 124.356 1.062 . . . . 0.0 110.208 176.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.435 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 8.7 mt-10 -63.62 -33.62 76.03 Favored 'General case' 0 C--N 1.387 2.237 0 C-N-CA 126.555 1.942 . . . . 0.0 112.145 175.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.69 95.0 Favored 'General case' 0 C--N 1.394 2.524 0 C-N-CA 124.146 0.979 . . . . 0.0 112.86 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.45 -29.94 67.74 Favored 'General case' 0 N--CA 1.51 2.541 0 C-N-CA 123.542 0.737 . . . . 0.0 112.234 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.435 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 55.4 t -62.82 -37.8 80.1 Favored 'Isoleucine or valine' 0 C--N 1.381 1.959 0 C-N-CA 126.499 1.92 . . . . 0.0 109.775 175.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -55.02 -33.12 62.37 Favored 'General case' 0 C--N 1.396 2.607 0 C-N-CA 125.083 1.353 . . . . 0.0 112.312 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -69.68 -38.27 76.97 Favored 'General case' 0 C--N 1.402 2.876 0 C-N-CA 125.477 1.511 . . . . 0.0 112.076 176.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.89 33.44 2.4 Favored Glycine 0 C--N 1.376 2.759 0 N-CA-C 116.562 1.385 . . . . 0.0 116.562 174.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.68 113.0 24.42 Favored 'General case' 0 C--N 1.38 1.895 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.003 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.72 -27.73 64.2 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 113.137 -1.847 . . . . 0.0 113.043 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.5 m -72.17 -38.05 69.2 Favored 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 124.731 1.212 . . . . 0.0 110.85 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.5 -23.44 56.75 Favored 'General case' 0 C--N 1.389 2.323 0 C-N-CA 124.168 0.987 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.9 t -76.29 -47.06 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 125.956 1.702 . . . . 0.0 109.884 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.53 -37.75 85.67 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 127.239 2.216 . . . . 0.0 112.767 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.87 -48.91 74.8 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 126.414 1.886 . . . . 0.0 109.047 173.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.05 -43.66 98.56 Favored 'General case' 0 N--CA 1.511 2.576 0 O-C-N 125.036 1.46 . . . . 0.0 112.019 174.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.63 -42.08 91.93 Favored 'General case' 0 N--CA 1.511 2.609 0 C-N-CA 124.884 1.274 . . . . 0.0 113.775 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.6 -39.12 73.98 Favored 'General case' 0 N--CA 1.514 2.734 0 C-N-CA 125.266 1.427 . . . . 0.0 111.967 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.03 -33.8 68.3 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 124.706 1.203 . . . . 0.0 110.698 174.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.472 ' O ' HG23 ' A' ' 83' ' ' ILE . 0.5 OUTLIER -66.11 -46.36 77.89 Favored 'General case' 0 C--N 1.38 1.926 0 CA-C-O 117.713 -1.137 . . . . 0.0 111.855 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.46 -36.49 76.63 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 124.503 1.121 . . . . 0.0 112.757 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.66 81.2 Favored 'General case' 0 C--N 1.385 2.138 0 C-N-CA 125.678 1.591 . . . . 0.0 110.638 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -73.97 -27.77 61.15 Favored 'General case' 0 C--N 1.376 1.748 0 C-N-CA 123.931 0.893 . . . . 0.0 112.594 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.565 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -64.66 -43.59 96.64 Favored 'Isoleucine or valine' 0 C--N 1.389 2.287 0 CA-C-N 118.334 0.516 . . . . 0.0 110.649 177.896 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.84 -44.78 76.38 Favored 'General case' 0 N--CA 1.503 2.202 0 C-N-CA 125.532 1.533 . . . . 0.0 112.101 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.79 -44.73 55.08 Favored 'General case' 0 C--N 1.379 1.852 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.3 mp -86.79 -42.61 13.16 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.565 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -68.27 -38.47 81.76 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 118.781 -0.628 . . . . 0.0 112.006 178.736 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -78.76 -40.25 33.8 Favored 'General case' 0 C--N 1.386 2.154 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -72.48 -33.04 66.71 Favored 'General case' 0 N--CA 1.515 2.822 0 CA-C-N 119.4 1.0 . . . . 0.0 110.319 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.59 -31.16 63.43 Favored 'General case' 0 C--N 1.385 2.144 0 C-N-CA 124.054 0.941 . . . . 0.0 109.973 175.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.05 -34.75 77.05 Favored 'General case' 0 C--N 1.411 3.274 0 C-N-CA 124.735 1.214 . . . . 0.0 114.112 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.6 p -84.15 -21.28 31.41 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 119.071 0.851 . . . . 0.0 110.287 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.17 -28.81 60.22 Favored 'General case' 0 C--N 1.39 2.363 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.989 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.07 -8.64 58.49 Favored 'General case' 0 C--N 1.398 2.689 0 C-N-CA 125.575 1.55 . . . . 0.0 112.012 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.498 1.949 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 -179.674 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.949 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.88 -36.01 72.58 Favored 'General case' 0 C--N 1.384 2.078 0 C-N-CA 125.657 1.583 . . . . 0.0 111.806 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -70.15 -33.25 71.55 Favored 'General case' 0 C--N 1.387 2.212 0 C-N-CA 124.605 1.162 . . . . 0.0 111.231 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.64 -36.91 83.69 Favored 'General case' 0 C--N 1.386 2.163 0 C-N-CA 125.862 1.665 . . . . 0.0 110.66 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.593 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 1.1 mpt_? -74.58 -50.22 18.78 Favored 'General case' 0 C--N 1.375 1.698 0 C-N-CA 123.929 0.892 . . . . 0.0 111.013 175.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.15 -60.22 3.92 Favored 'General case' 0 CA--C 1.601 2.908 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -83.52 -44.19 14.94 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 40.5 mt-10 -71.91 -33.84 68.63 Favored 'General case' 0 N--CA 1.508 2.468 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 -178.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.593 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 5.6 m-85 -68.8 -38.85 80.22 Favored 'General case' 0 C--N 1.392 2.441 0 CA-C-O 118.714 -0.66 . . . . 0.0 111.717 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -65.71 -38.97 90.68 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.87 -42.73 85.11 Favored 'General case' 0 N--CA 1.52 3.069 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -69.23 -37.32 77.95 Favored 'General case' 0 N--CA 1.508 2.441 0 C-N-CA 124.294 1.038 . . . . 0.0 112.649 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -71.33 -28.44 64.09 Favored 'General case' 0 C--N 1.379 1.861 0 C-N-CA 124.824 1.25 . . . . 0.0 112.206 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -65.47 -47.75 75.02 Favored 'General case' 0 N--CA 1.504 2.253 0 C-N-CA 125.777 1.631 . . . . 0.0 114.285 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.72 -39.23 67.09 Favored 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.42 -33.06 73.07 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 123.556 0.535 . . . . 0.0 110.404 174.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -34.11 73.18 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 125.016 1.326 . . . . 0.0 112.341 175.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.95 86.1 Favored 'General case' 0 C--N 1.404 2.975 0 C-N-CA 125.473 1.509 . . . . 0.0 112.816 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.6 mtt -64.65 -40.21 95.03 Favored 'General case' 0 C--N 1.391 2.377 0 O-C-N 124.685 1.24 . . . . 0.0 110.642 177.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 94.8 mttt -67.26 -40.68 86.23 Favored 'General case' 0 C--N 1.384 2.103 0 C-N-CA 124.814 1.245 . . . . 0.0 110.797 176.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -64.23 -44.09 92.94 Favored 'General case' 0 N--CA 1.517 2.905 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 -176.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -70.82 -41.09 72.0 Favored 'General case' 0 N--CA 1.51 2.537 0 C-N-CA 123.887 0.875 . . . . 0.0 113.072 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.62 -34.4 74.02 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 124.46 1.104 . . . . 0.0 112.979 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 47.3 mt-10 -70.27 -39.6 74.83 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -71.18 -40.69 71.07 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-N 119.124 0.875 . . . . 0.0 112.758 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.25 -41.7 63.39 Favored 'General case' 0 C--N 1.391 2.39 0 CA-C-N 113.465 -1.698 . . . . 0.0 114.932 -173.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -90.54 -8.21 50.88 Favored 'General case' 0 CA--C 1.578 2.033 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -65.35 -38.84 91.29 Favored 'General case' 0 N--CA 1.516 2.862 0 C-N-CA 125.588 1.555 . . . . 0.0 111.944 174.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -81.83 -13.18 58.0 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 125.44 1.496 . . . . 0.0 112.678 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -94.97 -24.88 16.75 Favored 'General case' 0 C--N 1.383 2.064 0 C-N-CA 125.152 1.381 . . . . 0.0 109.328 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 65.13 30.93 11.29 Favored 'General case' 0 N--CA 1.521 3.125 0 C-N-CA 127.565 2.346 . . . . 0.0 112.317 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.79 125.78 83.56 Favored Pre-proline 0 CA--C 1.571 1.753 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -177.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -58.27 -9.71 7.08 Favored 'Trans proline' 1 C--N 1.429 4.792 0 C-N-CA 124.686 3.591 . . . . 0.0 114.228 173.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -61.51 -27.69 68.78 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 123.68 0.792 . . . . 0.0 110.959 175.51 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 21.6 mt -56.33 -44.56 80.12 Favored 'General case' 0 N--CA 1.516 2.856 0 C-N-CA 126.438 1.895 . . . . 0.0 113.104 174.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.05 72.3 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.671 1.588 . . . . 0.0 110.808 -174.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -72.03 -37.54 69.71 Favored 'General case' 0 CA--C 1.583 2.24 0 O-C-N 124.161 0.913 . . . . 0.0 111.864 174.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 39.7 mt-10 -77.36 -51.15 11.31 Favored 'General case' 0 N--CA 1.512 2.663 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 -177.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -38.16 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.795 0 CA-C-N 119.561 1.073 . . . . 0.0 111.288 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 97.1 m -63.08 -40.46 97.74 Favored 'General case' 0 CA--C 1.584 2.283 0 CA-C-N 118.516 0.598 . . . . 0.0 110.598 177.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.81 85.58 Favored 'General case' 0 N--CA 1.509 2.475 0 C-N-CA 124.266 1.026 . . . . 0.0 112.856 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 13.1 mt -73.46 -31.32 63.72 Favored 'General case' 0 C--N 1.38 1.921 0 C-N-CA 124.708 1.203 . . . . 0.0 111.934 177.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -29.85 68.13 Favored 'General case' 0 C--N 1.392 2.428 0 C-N-CA 125.594 1.558 . . . . 0.0 112.232 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -75.47 -35.48 60.86 Favored 'General case' 0 C--N 1.387 2.225 0 C-N-CA 124.975 1.31 . . . . 0.0 109.16 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -71.37 -35.58 71.14 Favored 'General case' 0 C--N 1.387 2.199 0 C-N-CA 125.676 1.59 . . . . 0.0 112.465 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.45 -38.91 92.66 Favored 'General case' 0 C--N 1.381 1.937 0 C-N-CA 124.476 1.111 . . . . 0.0 110.106 174.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.7 p -77.01 -38.7 52.47 Favored 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 123.662 0.785 . . . . 0.0 112.845 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -72.66 -33.36 66.52 Favored 'General case' 0 N--CA 1.517 2.898 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 76.2 m -71.65 -39.1 70.57 Favored 'General case' 0 C--N 1.385 2.142 0 C-N-CA 123.503 0.721 . . . . 0.0 110.502 177.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -59.17 -39.39 82.37 Favored 'General case' 0 C--N 1.394 2.528 0 C-N-CA 125.618 1.567 . . . . 0.0 113.268 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 6.8 m -70.36 -40.85 73.78 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 124.96 1.304 . . . . 0.0 111.52 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.67 -37.64 76.74 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 125.778 1.631 . . . . 0.0 112.805 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 16.2 mt -70.04 -39.95 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.839 0 C-N-CA 126.094 1.758 . . . . 0.0 110.971 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.95 97.75 Favored 'General case' 0 C--N 1.391 2.394 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.09 -41.65 67.07 Favored 'General case' 0 N--CA 1.51 2.541 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.8 p -71.66 -39.48 70.3 Favored 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.03 -35.39 69.37 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.989 0.915 . . . . 0.0 113.195 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -70.05 -35.41 74.25 Favored 'General case' 0 N--CA 1.507 2.396 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -71.26 -36.02 71.61 Favored 'General case' 0 C--N 1.375 1.695 0 O-C-N 124.289 0.993 . . . . 0.0 110.891 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.76 -35.41 67.45 Favored 'General case' 0 C--N 1.39 2.36 0 C-N-CA 125.816 1.646 . . . . 0.0 112.229 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.31 -19.13 60.58 Favored 'General case' 0 C--N 1.379 1.878 0 C-N-CA 124.88 1.272 . . . . 0.0 113.424 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.379 1.873 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 CA--C 1.589 3.272 0 N-CA-C 117.443 2.055 . . . . 0.0 117.443 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mt -86.64 -35.33 19.43 Favored 'General case' 0 N--CA 1.506 2.326 0 C-N-CA 123.408 0.683 . . . . 0.0 111.868 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -36.14 51.95 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 125.147 1.379 . . . . 0.0 112.729 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.35 -31.35 67.25 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 123.923 0.889 . . . . 0.0 109.966 178.048 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -66.22 -37.57 85.86 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 124.434 1.084 . . . . 0.0 111.722 176.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.3 m -70.92 -41.1 71.66 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 124.212 1.005 . . . . 0.0 110.917 176.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.58 -44.94 85.72 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 124.455 1.102 . . . . 0.0 112.242 173.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -65.37 -38.51 90.26 Favored 'General case' 0 C--N 1.397 2.669 0 C-N-CA 125.363 1.465 . . . . 0.0 114.667 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -68.74 -37.06 79.15 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.247 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.73 -31.72 71.91 Favored 'General case' 0 N--CA 1.504 2.257 0 C-N-CA 124.7 1.2 . . . . 0.0 111.804 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -74.43 -43.82 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.449 0 C-N-CA 125.116 1.366 . . . . 0.0 110.122 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -28.89 66.76 Favored 'General case' 0 N--CA 1.507 2.381 0 C-N-CA 124.023 0.929 . . . . 0.0 111.052 174.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.74 88.3 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 125.478 1.511 . . . . 0.0 109.423 172.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.64 -36.86 73.64 Favored 'General case' 0 C--N 1.375 1.68 0 C-N-CA 124.802 1.241 . . . . 0.0 110.935 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -59.61 -38.17 80.55 Favored 'General case' 0 N--CA 1.528 3.437 0 C-N-CA 125.995 1.718 . . . . 0.0 112.735 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.82 -15.03 49.84 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 177.28 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.18 -29.69 11.97 Favored 'General case' 0 C--N 1.376 1.736 0 C-N-CA 124.116 0.966 . . . . 0.0 111.04 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.99 15.53 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 C-N-CA 127.29 2.236 . . . . 0.0 112.074 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.54 -72.77 0.71 Allowed Glycine 0 N--CA 1.484 1.881 0 CA-C-O 116.702 -2.165 . . . . 0.0 113.166 -175.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.53 -2.38 7.27 Favored 'Trans proline' 1 C--N 1.423 4.456 0 CA-C-N 122.068 2.934 . . . . 0.0 116.136 177.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mt -89.31 -13.82 37.11 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.243 1.417 . . . . 0.0 112.728 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.567 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.506 2.339 0 C-N-CA 126.522 1.929 . . . . 0.0 115.881 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 122.977 1.37 . . . . 0.0 111.835 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -84.28 -12.68 54.25 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 112.665 -2.062 . . . . 0.0 112.557 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -79.99 -24.02 41.16 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 124.43 1.092 . . . . 0.0 111.385 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.81 -5.78 30.49 Favored 'General case' 0 C--N 1.386 2.191 0 O-C-N 123.557 0.536 . . . . 0.0 112.059 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.51 154.46 32.5 Favored 'General case' 0 C--N 1.382 2.018 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.85 110.46 15.47 Favored 'General case' 0 C--N 1.378 1.846 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.1 t -159.91 145.25 15.32 Favored 'General case' 0 C--O 1.25 1.106 0 CA-C-N 113.407 -1.724 . . . . 0.0 107.697 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -94.66 -21.6 18.69 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.769 -1.105 . . . . 0.0 113.759 -177.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.72 78.52 1.19 Allowed Glycine 0 N--CA 1.501 2.999 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.67 -54.27 1.33 Allowed 'General case' 0 C--N 1.378 1.807 0 O-C-N 123.845 0.379 . . . . 0.0 110.609 -173.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -179.11 175.47 0.96 Allowed 'General case' 0 C--N 1.409 3.162 0 O-C-N 126.145 2.153 . . . . 0.0 112.492 -173.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.567 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -68.13 -22.53 64.87 Favored 'General case' 0 N--CA 1.529 3.479 0 C-N-CA 125.338 1.455 . . . . 0.0 108.248 169.311 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.66 -35.35 85.72 Favored Glycine 0 C--N 1.378 2.898 0 C-N-CA 126.344 1.926 . . . . 0.0 114.14 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.63 -22.03 44.13 Favored 'General case' 0 C--N 1.391 2.403 0 CA-C-N 117.409 0.604 . . . . 0.0 111.557 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -81.59 -32.44 32.09 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 114.634 -1.166 . . . . 0.0 109.642 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.54 -36.48 52.26 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 124.905 1.282 . . . . 0.0 112.38 177.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.12 -35.92 71.94 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 125.096 1.358 . . . . 0.0 112.45 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -79.58 -28.6 41.12 Favored 'General case' 0 C--N 1.378 1.818 0 C-N-CA 123.517 0.727 . . . . 0.0 110.61 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.55 -39.54 67.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 125.008 1.442 . . . . 0.0 111.049 176.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -68.83 -37.34 79.11 Favored 'General case' 0 C--N 1.38 1.933 0 C-N-CA 124.785 1.234 . . . . 0.0 110.244 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.13 -25.71 61.83 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 125.895 1.678 . . . . 0.0 112.348 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.4 m -78.66 -30.09 46.07 Favored 'General case' 0 C--N 1.385 2.146 0 C-N-CA 123.894 0.878 . . . . 0.0 109.882 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.73 -42.17 64.4 Favored 'General case' 0 C--N 1.386 2.181 0 C-N-CA 124.439 1.096 . . . . 0.0 110.685 176.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.8 p -70.33 -29.15 65.79 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 126.038 1.735 . . . . 0.0 113.431 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -76.98 -39.9 48.77 Favored 'General case' 0 N--CA 1.512 2.639 0 C-N-CA 123.596 0.758 . . . . 0.0 112.333 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.24 -33.91 76.34 Favored 'General case' 0 C--N 1.392 2.42 0 C-N-CA 124.798 1.239 . . . . 0.0 111.078 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.484 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 29.8 mt-10 -63.82 -35.12 79.58 Favored 'General case' 0 C--N 1.388 2.278 0 C-N-CA 126.128 1.771 . . . . 0.0 112.12 175.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.98 89.37 Favored 'General case' 0 C--N 1.39 2.358 0 C-N-CA 123.699 0.8 . . . . 0.0 112.73 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.64 -30.26 67.92 Favored 'General case' 0 C--N 1.392 2.451 0 C-N-CA 123.507 0.723 . . . . 0.0 112.129 173.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.484 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 64.8 t -61.79 -38.81 81.37 Favored 'Isoleucine or valine' 0 C--N 1.387 2.221 0 C-N-CA 126.393 1.877 . . . . 0.0 109.786 175.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -53.69 -34.89 60.25 Favored 'General case' 0 C--N 1.395 2.564 0 C-N-CA 124.856 1.262 . . . . 0.0 112.205 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -70.58 -38.87 74.12 Favored 'General case' 0 C--N 1.404 2.958 0 C-N-CA 125.465 1.506 . . . . 0.0 112.739 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.48 33.95 2.58 Favored Glycine 0 C--N 1.378 2.866 0 N-CA-C 116.202 1.241 . . . . 0.0 116.202 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.89 114.72 23.76 Favored 'General case' 0 C--N 1.382 2.013 0 CA-C-O 122.023 0.916 . . . . 0.0 109.35 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.22 -34.13 74.37 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 112.751 -2.022 . . . . 0.0 113.231 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.1 m -71.15 -37.54 72.24 Favored 'General case' 0 CA--C 1.574 1.87 0 C-N-CA 124.765 1.226 . . . . 0.0 111.482 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.52 -21.85 57.62 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 123.839 0.856 . . . . 0.0 112.075 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -78.32 -47.81 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 125.809 1.644 . . . . 0.0 110.003 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.13 -37.76 84.39 Favored 'General case' 0 C--N 1.389 2.32 0 C-N-CA 127.544 2.338 . . . . 0.0 112.518 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.19 -46.05 90.65 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 125.506 1.523 . . . . 0.0 108.931 172.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.78 -38.83 90.09 Favored 'General case' 0 N--CA 1.504 2.252 0 C-N-CA 124.973 1.309 . . . . 0.0 111.517 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.19 96.55 Favored 'General case' 0 N--CA 1.515 2.81 0 C-N-CA 125.199 1.4 . . . . 0.0 112.697 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.75 -35.93 70.27 Favored 'General case' 0 N--CA 1.517 2.88 0 C-N-CA 126.153 1.781 . . . . 0.0 110.978 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -69.36 -32.16 71.05 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 125.066 1.346 . . . . 0.0 109.723 172.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -44.52 72.71 Favored 'General case' 0 C--N 1.379 1.879 0 C-N-CA 124.692 1.197 . . . . 0.0 111.534 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.1 -41.14 82.26 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 125.153 1.381 . . . . 0.0 112.55 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.79 -36.58 80.7 Favored 'General case' 0 C--N 1.387 2.229 0 C-N-CA 126.277 1.831 . . . . 0.0 111.832 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -73.84 -27.57 61.17 Favored 'General case' 0 C--N 1.374 1.654 0 C-N-CA 123.709 0.804 . . . . 0.0 112.793 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 32.2 mt -64.08 -46.94 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 1.5 mt-10 -66.23 -46.15 78.18 Favored 'General case' 0 N--CA 1.503 2.211 0 C-N-CA 124.792 1.237 . . . . 0.0 112.368 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.36 -45.72 53.36 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.7 mt -86.48 -42.68 13.37 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.574 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 32.6 mt-30 -66.65 -38.4 86.8 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 123.827 0.705 . . . . 0.0 111.941 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.2 ttt180 -79.42 -36.81 38.43 Favored 'General case' 0 C--N 1.391 2.373 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.97 -27.46 54.76 Favored 'General case' 0 C--N 1.389 2.317 0 CA-C-N 119.206 0.912 . . . . 0.0 110.455 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.82 -27.66 55.24 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 124.216 1.006 . . . . 0.0 108.852 173.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.21 64.52 Favored 'General case' 0 C--N 1.411 3.268 0 C-N-CA 125.179 1.392 . . . . 0.0 112.834 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 p -85.8 -22.78 27.48 Favored 'General case' 0 C--N 1.379 1.887 0 C-N-CA 125.14 1.376 . . . . 0.0 109.723 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.92 -27.81 55.04 Favored 'General case' 0 C--N 1.386 2.178 0 C-N-CA 125.482 1.513 . . . . 0.0 111.518 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.3 p -79.17 -10.58 59.86 Favored 'General case' 0 N--CA 1.514 2.753 0 C-N-CA 125.236 1.414 . . . . 0.0 111.699 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.3 tt . . . . . 0 N--CA 1.493 1.717 0 C-N-CA 126.773 2.029 . . . . 0.0 109.712 179.122 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.567 1.61 0 CA-C-O 119.625 -0.226 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.92 -29.0 64.93 Favored 'General case' 0 N--CA 1.513 2.708 0 C-N-CA 124.34 1.056 . . . . 0.0 112.949 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -68.9 -36.87 78.55 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 124.871 1.269 . . . . 0.0 110.755 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -67.94 -35.99 79.36 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 125.984 1.714 . . . . 0.0 111.629 175.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 6.8 mpt_? -72.51 -49.23 34.38 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 123.77 0.828 . . . . 0.0 110.931 175.167 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.43 -60.16 4.14 Favored 'General case' 0 CA--C 1.592 2.576 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.81 -44.74 26.49 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 116.909 2.188 . . . . 0.0 116.909 -175.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 43.6 mt-10 -71.98 -36.5 69.82 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -178.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 8.2 m-85 -68.83 -41.46 78.53 Favored 'General case' 0 C--N 1.388 2.257 0 C-N-CA 123.253 0.621 . . . . 0.0 112.377 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -70.38 -38.39 74.71 Favored 'General case' 0 C--N 1.384 2.095 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.59 -43.77 72.13 Favored 'General case' 0 N--CA 1.518 2.933 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -70.29 -36.89 74.66 Favored 'General case' 0 N--CA 1.505 2.303 0 C-N-CA 124.373 1.069 . . . . 0.0 113.348 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -67.81 -37.03 81.44 Favored 'General case' 0 C--N 1.379 1.884 0 C-N-CA 124.737 1.215 . . . . 0.0 113.269 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -66.41 -41.82 88.7 Favored 'General case' 0 C--N 1.383 2.043 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -72.32 -41.46 66.52 Favored 'General case' 0 N--CA 1.51 2.553 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 178.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.0 -34.23 71.62 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-N 118.405 0.548 . . . . 0.0 110.515 174.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -30.54 65.3 Favored 'General case' 0 C--N 1.377 1.767 0 C-N-CA 124.785 1.234 . . . . 0.0 113.533 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.55 87.94 Favored 'General case' 0 C--N 1.402 2.885 0 C-N-CA 125.089 1.356 . . . . 0.0 111.852 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.53 -37.51 86.96 Favored 'General case' 0 C--N 1.395 2.58 0 O-C-N 125.086 1.491 . . . . 0.0 110.767 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -67.62 -38.14 83.49 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 125.203 1.401 . . . . 0.0 111.144 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -73.37 -44.84 57.86 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.32 -41.39 80.89 Favored 'General case' 0 N--CA 1.515 2.817 0 C-N-CA 124.429 1.091 . . . . 0.0 113.403 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.21 -37.88 86.61 Favored 'General case' 0 C--N 1.384 2.101 0 C-N-CA 124.637 1.175 . . . . 0.0 112.009 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 0.9 OUTLIER -66.73 -36.27 82.06 Favored 'General case' 0 C--N 1.39 2.364 0 CA-C-O 117.337 -1.316 . . . . 0.0 113.585 178.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -69.33 -47.32 64.78 Favored 'General case' 0 C--O 1.276 2.453 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -175.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -73.28 -39.46 65.35 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 113.297 -1.774 . . . . 0.0 113.958 -174.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.532 ' HB2' HD21 ' A' ' 141' ' ' LEU . 73.9 m-85 -89.54 -10.52 45.85 Favored 'General case' 0 CA--C 1.578 2.048 0 C-N-CA 124.049 0.94 . . . . 0.0 113.464 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -64.52 -37.1 86.39 Favored 'General case' 0 N--CA 1.521 3.077 0 C-N-CA 125.684 1.594 . . . . 0.0 111.95 175.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -78.18 -14.7 59.35 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 125.92 1.688 . . . . 0.0 113.545 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.74 -23.19 16.03 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 124.917 1.287 . . . . 0.0 110.011 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 70.81 82.63 0.15 Allowed 'General case' 0 C--N 1.395 2.571 0 C-N-CA 128.008 2.523 . . . . 0.0 109.813 -176.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.03 104.07 46.98 Favored Pre-proline 0 CA--C 1.558 1.278 0 CA-C-N 112.151 -2.295 . . . . 0.0 113.535 -177.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -62.45 -9.54 15.9 Favored 'Trans proline' 1 C--N 1.434 5.027 0 C-N-CA 124.225 3.283 . . . . 0.0 112.648 171.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 35.7 tt0 -58.41 -37.08 74.6 Favored 'General case' 0 CA--C 1.577 1.999 0 C-N-CA 125.46 1.504 . . . . 0.0 111.795 175.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 133' ' ' TYR . 8.1 mt -66.33 -32.7 74.26 Favored 'General case' 0 N--CA 1.517 2.902 0 C-N-CA 126.044 1.738 . . . . 0.0 112.642 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.18 77.21 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 114.25 -1.341 . . . . 0.0 109.702 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -72.14 -38.75 69.17 Favored 'General case' 0 CA--C 1.583 2.225 0 C-N-CA 123.679 0.792 . . . . 0.0 111.945 173.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 23.8 mt-10 -76.94 -45.97 25.85 Favored 'General case' 0 N--CA 1.515 2.781 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 73.2 mt -68.02 -41.88 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.063 0 C-N-CA 125.65 1.58 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 86.0 m -62.67 -40.42 97.04 Favored 'General case' 0 CA--C 1.584 2.265 0 O-C-N 124.523 1.14 . . . . 0.0 110.255 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.71 93.37 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 124.54 1.136 . . . . 0.0 112.457 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.27 -28.08 61.05 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 125.015 1.326 . . . . 0.0 111.747 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -31.63 71.33 Favored 'General case' 0 C--N 1.393 2.467 0 C-N-CA 126.122 1.769 . . . . 0.0 111.744 177.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -75.01 -34.43 61.92 Favored 'General case' 0 C--N 1.388 2.271 0 C-N-CA 125.329 1.452 . . . . 0.0 109.275 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -71.44 -35.34 70.9 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 125.219 1.408 . . . . 0.0 112.669 178.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.66 -41.29 98.23 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 124.832 1.253 . . . . 0.0 109.894 173.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.6 p -75.86 -37.25 59.12 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 123.959 0.787 . . . . 0.0 112.671 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -73.48 -29.39 62.48 Favored 'General case' 0 N--CA 1.516 2.86 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 178.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 5.3 t -75.92 -35.34 59.8 Favored 'General case' 0 C--N 1.38 1.928 0 C-N-CA 124.242 1.017 . . . . 0.0 109.891 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -67.34 -38.82 85.47 Favored 'General case' 0 C--N 1.393 2.493 0 C-N-CA 125.309 1.443 . . . . 0.0 111.552 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 20.7 m -70.3 -41.09 73.81 Favored 'General case' 0 C--N 1.384 2.083 0 C-N-CA 125.937 1.695 . . . . 0.0 111.311 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.59 87.31 Favored 'General case' 0 C--N 1.381 1.978 0 C-N-CA 125.945 1.698 . . . . 0.0 112.765 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 39.2 mt -70.57 -40.24 77.01 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.175 0 C-N-CA 125.691 1.597 . . . . 0.0 110.088 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.43 99.31 Favored 'General case' 0 C--N 1.393 2.492 0 C-N-CA 124.554 1.141 . . . . 0.0 113.796 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.0 -39.5 79.27 Favored 'General case' 0 N--CA 1.512 2.658 0 C-N-CA 125.131 1.372 . . . . 0.0 113.293 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 14.9 p -71.61 -30.16 65.48 Favored 'General case' 0 N--CA 1.508 2.436 0 C-N-CA 124.473 1.109 . . . . 0.0 112.425 178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.82 -31.76 65.04 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 124.735 1.214 . . . . 0.0 112.174 177.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.16 -37.1 80.65 Favored 'General case' 0 N--CA 1.513 2.69 0 C-N-CA 125.068 1.347 . . . . 0.0 112.318 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.14 -33.03 71.3 Favored 'General case' 0 C--N 1.376 1.757 0 C-N-CA 124.797 1.239 . . . . 0.0 110.481 176.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.9 mt -73.45 -29.21 62.4 Favored 'General case' 0 C--N 1.39 2.332 0 C-N-CA 125.422 1.489 . . . . 0.0 112.124 177.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.56 -32.29 71.0 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 125.853 1.661 . . . . 0.0 112.779 177.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 . . . . . 0 C--N 1.383 2.064 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -177.954 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo . . . . . 0 CA--C 1.58 2.82 0 N-CA-C 113.644 0.594 . . . . 0.0 113.644 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.04 -48.09 5.26 Favored 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 123.084 0.554 . . . . 0.0 111.565 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -38.07 50.4 Favored 'General case' 0 C--N 1.372 1.577 0 C-N-CA 125.195 1.398 . . . . 0.0 112.435 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -33.04 72.93 Favored 'General case' 0 C--N 1.381 1.971 0 C-N-CA 124.486 1.115 . . . . 0.0 111.683 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -69.49 -37.54 77.28 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 124.558 1.161 . . . . 0.0 111.522 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.5 m -71.48 -40.77 70.03 Favored 'General case' 0 C--N 1.383 2.065 0 C-N-CA 123.634 0.774 . . . . 0.0 111.343 176.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mt -58.86 -44.71 91.09 Favored 'General case' 0 C--N 1.388 2.278 0 O-C-N 124.336 1.022 . . . . 0.0 112.27 173.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -65.49 -39.56 92.06 Favored 'General case' 0 C--N 1.397 2.641 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -70.04 -36.93 75.41 Favored 'General case' 0 C--N 1.378 1.827 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.777 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.89 -30.4 71.5 Favored 'General case' 0 N--CA 1.51 2.537 0 C-N-CA 124.268 1.027 . . . . 0.0 111.803 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.63 -44.94 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.332 0 C-N-CA 125.357 1.463 . . . . 0.0 110.021 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.17 -28.71 66.65 Favored 'General case' 0 N--CA 1.505 2.293 0 C-N-CA 124.152 0.981 . . . . 0.0 111.283 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.64 91.26 Favored 'General case' 0 N--CA 1.506 2.367 0 C-N-CA 125.45 1.5 . . . . 0.0 109.453 172.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.83 -37.48 73.19 Favored 'General case' 0 C--N 1.374 1.653 0 CA-C-O 117.497 -1.239 . . . . 0.0 111.037 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -59.48 -39.28 83.22 Favored 'General case' 0 N--CA 1.531 3.606 0 C-N-CA 126.313 1.845 . . . . 0.0 113.877 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.79 -14.11 56.82 Favored 'General case' 0 CA--C 1.56 1.354 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 176.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 mp -99.68 -25.84 14.26 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 124.236 1.014 . . . . 0.0 110.233 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.38 15.45 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 C-N-CA 127.405 2.282 . . . . 0.0 112.182 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.43 -67.82 1.68 Allowed Glycine 0 N--CA 1.489 2.223 0 CA-C-O 117.181 -1.9 . . . . 0.0 114.001 -175.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -71.7 -8.1 22.47 Favored 'Trans proline' 1 C--N 1.426 4.631 0 CA-C-N 122.042 2.921 . . . . 0.0 115.532 176.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mt -91.9 -6.49 51.36 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 125.759 1.624 . . . . 0.0 112.944 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.019 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 179.676 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 122.148 0.975 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -83.56 -4.54 58.64 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 113.399 -1.728 . . . . 0.0 114.01 -177.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -80.15 -26.96 39.11 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.003 0.921 . . . . 0.0 110.921 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 mt -100.4 -3.99 29.92 Favored 'General case' 0 C--N 1.385 2.123 0 C-N-CA 123.851 0.86 . . . . 0.0 111.921 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -120.87 155.88 33.17 Favored 'General case' 0 C--N 1.382 1.988 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.51 111.98 16.94 Favored 'General case' 0 C--N 1.378 1.812 0 CA-C-N 113.814 -1.539 . . . . 0.0 107.014 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.5 t -137.53 158.58 44.08 Favored 'General case' 0 N--CA 1.499 1.993 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.466 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -108.46 47.04 0.92 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -176.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.23 -69.59 0.49 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 118.869 2.307 . . . . 0.0 118.869 169.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -173.08 60.09 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 119.939 1.87 . . . . 0.0 110.571 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -135.19 136.37 41.74 Favored 'General case' 0 CA--C 1.558 1.265 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -28.12 65.26 Favored 'General case' 0 N--CA 1.526 3.34 0 C-N-CA 123.884 0.873 . . . . 0.0 109.068 171.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.22 -36.39 92.34 Favored Glycine 0 C--N 1.382 3.1 0 O-C-N 125.062 1.476 . . . . 0.0 113.981 176.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -23.53 39.76 Favored 'General case' 0 C--N 1.395 2.575 0 CA-C-N 117.756 0.778 . . . . 0.0 112.138 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -81.28 -31.74 33.53 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.193 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mt -77.22 -34.33 56.06 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 125.021 1.328 . . . . 0.0 112.755 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.09 -31.06 68.45 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.309 1.444 . . . . 0.0 111.253 176.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -80.04 -31.45 39.5 Favored 'General case' 0 C--N 1.382 2.009 0 C-N-CA 123.404 0.681 . . . . 0.0 109.402 178.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.22 -40.4 67.83 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 125.195 1.559 . . . . 0.0 112.122 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -67.35 -37.74 83.72 Favored 'General case' 0 N--CA 1.503 2.222 0 C-N-CA 124.873 1.269 . . . . 0.0 110.858 174.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.63 -26.04 61.52 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 126.087 1.755 . . . . 0.0 112.977 177.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 m -78.31 -30.74 48.47 Favored 'General case' 0 C--N 1.386 2.184 0 C-N-CA 123.991 0.916 . . . . 0.0 110.275 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.19 -43.39 67.52 Favored 'General case' 0 C--N 1.383 2.037 0 C-N-CA 124.372 1.069 . . . . 0.0 110.684 176.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.1 p -70.72 -31.62 68.54 Favored 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 125.761 1.624 . . . . 0.0 114.197 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -77.51 -42.29 36.16 Favored 'General case' 0 N--CA 1.513 2.712 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.31 -32.28 72.29 Favored 'General case' 0 C--N 1.389 2.325 0 C-N-CA 124.246 1.018 . . . . 0.0 111.222 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 11.6 mt-10 -66.24 -32.61 74.13 Favored 'General case' 0 C--N 1.386 2.177 0 C-N-CA 126.063 1.745 . . . . 0.0 112.103 176.351 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.3 90.57 Favored 'General case' 0 C--N 1.391 2.406 0 C-N-CA 124.058 0.943 . . . . 0.0 112.325 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.29 67.93 Favored 'General case' 0 C--N 1.395 2.559 0 C-N-CA 123.763 0.825 . . . . 0.0 112.162 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 52.4 t -60.92 -38.83 80.19 Favored 'Isoleucine or valine' 0 C--N 1.383 2.058 0 C-N-CA 126.462 1.905 . . . . 0.0 110.365 175.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -53.33 -33.01 51.7 Favored 'General case' 0 C--N 1.392 2.444 0 O-C-N 124.902 1.376 . . . . 0.0 112.682 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -70.27 -37.42 74.86 Favored 'General case' 0 C--N 1.402 2.858 0 C-N-CA 125.336 1.454 . . . . 0.0 112.69 176.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.13 35.65 1.77 Allowed Glycine 0 C--N 1.375 2.708 0 N-CA-C 116.443 1.337 . . . . 0.0 116.443 175.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.25 110.26 21.79 Favored 'General case' 0 C--N 1.38 1.911 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.17 -25.02 62.36 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 113.594 -1.639 . . . . 0.0 113.536 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.9 m -71.67 -37.69 70.73 Favored 'General case' 0 CA--C 1.572 1.825 0 C-N-CA 124.954 1.302 . . . . 0.0 111.047 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -75.74 -22.61 56.37 Favored 'General case' 0 C--N 1.39 2.364 0 C-N-CA 124.105 0.962 . . . . 0.0 112.018 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.9 t -76.68 -48.47 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 C-N-CA 126.387 1.875 . . . . 0.0 109.699 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.33 84.39 Favored 'General case' 0 C--N 1.386 2.153 0 C-N-CA 127.184 2.194 . . . . 0.0 112.494 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -41.7 98.12 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 125.771 1.628 . . . . 0.0 109.643 172.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.4 tt -71.47 -37.56 71.32 Favored 'General case' 0 CA--C 1.572 1.792 0 C-N-CA 124.586 1.154 . . . . 0.0 109.81 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.81 -40.67 97.17 Favored 'General case' 0 N--CA 1.512 2.644 0 C-N-CA 124.787 1.235 . . . . 0.0 112.269 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -70.91 -37.91 72.96 Favored 'General case' 0 N--CA 1.517 2.886 0 C-N-CA 126.36 1.864 . . . . 0.0 110.92 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -70.24 -33.91 72.2 Favored 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 125.509 1.523 . . . . 0.0 110.377 173.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -45.4 70.53 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 124.46 1.104 . . . . 0.0 112.338 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -67.96 -41.38 82.53 Favored 'General case' 0 C--N 1.388 2.258 0 C-N-CA 125.083 1.353 . . . . 0.0 112.96 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.17 83.91 Favored 'General case' 0 C--N 1.389 2.315 0 C-N-CA 126.079 1.751 . . . . 0.0 112.124 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -73.11 -28.04 62.04 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 123.511 0.724 . . . . 0.0 112.876 176.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.544 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 27.7 mt -63.14 -46.65 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.362 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.72 -47.32 72.71 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 124.628 1.171 . . . . 0.0 112.539 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.2 -44.47 62.92 Favored 'General case' 0 C--N 1.377 1.803 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.2 mt -86.45 -46.62 10.04 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -175.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 19.4 mt-30 -65.24 -36.0 82.78 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 124.068 0.855 . . . . 0.0 112.737 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -74.91 -41.02 60.52 Favored 'General case' 0 CA--C 1.585 2.321 0 C-N-CA 124.752 1.221 . . . . 0.0 113.346 177.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -75.52 -26.65 58.24 Favored 'General case' 0 C--N 1.392 2.436 0 CA-C-N 119.753 1.161 . . . . 0.0 110.132 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.35 -24.0 50.79 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 126.017 1.727 . . . . 0.0 110.331 174.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.6 91.21 Favored 'General case' 0 C--N 1.409 3.179 0 C-N-CA 123.741 0.816 . . . . 0.0 113.202 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 p -76.03 -29.15 57.99 Favored 'General case' 0 C--N 1.389 2.317 0 C-N-CA 124.766 1.226 . . . . 0.0 111.191 175.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.94 -34.92 70.41 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 125.171 1.388 . . . . 0.0 113.727 174.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.3 p -73.83 -8.35 55.71 Favored 'General case' 0 N--CA 1.523 3.214 0 C-N-CA 125.1 1.36 . . . . 0.0 114.048 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.164 0 C-N-CA 126.199 1.8 . . . . 0.0 112.696 172.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 . . . . . 0 N--CA 1.511 2.61 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.457 ' H ' ' HG ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -76.3 -29.28 57.28 Favored 'General case' 0 N--CA 1.506 2.355 0 C-N-CA 124.543 1.137 . . . . 0.0 112.59 176.354 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -70.49 -35.03 73.01 Favored 'General case' 0 C--N 1.382 1.984 0 C-N-CA 125.045 1.338 . . . . 0.0 110.738 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -65.47 -34.91 79.39 Favored 'General case' 0 C--N 1.396 2.595 0 C-N-CA 126.248 1.819 . . . . 0.0 111.0 173.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.605 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -71.91 -45.72 60.2 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 123.481 0.713 . . . . 0.0 110.401 174.902 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -62.49 1.76 Allowed 'General case' 0 CA--C 1.599 2.859 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.76 -42.06 18.44 Favored 'General case' 0 C--N 1.383 2.027 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -175.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 31.2 mt-10 -75.04 -28.16 60.32 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.605 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 4.0 m-85 -69.9 -40.34 75.67 Favored 'General case' 0 C--N 1.392 2.431 0 CA-C-N 118.581 0.628 . . . . 0.0 112.138 176.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -70.12 -35.45 74.12 Favored 'General case' 0 C--N 1.386 2.175 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.77 -40.74 79.57 Favored 'General case' 0 N--CA 1.517 2.898 0 C-N-CA 124.494 1.118 . . . . 0.0 113.723 178.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -70.41 -35.66 73.56 Favored 'General case' 0 N--CA 1.507 2.387 0 C-N-CA 124.504 1.122 . . . . 0.0 112.372 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -71.11 -27.96 63.96 Favored 'General case' 0 C--N 1.383 2.038 0 C-N-CA 124.974 1.309 . . . . 0.0 111.978 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -66.36 -47.41 73.49 Favored 'General case' 0 C--N 1.387 2.21 0 C-N-CA 125.985 1.714 . . . . 0.0 113.447 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -72.23 -39.39 68.52 Favored 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.6 mt -59.46 -34.32 72.38 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 123.582 0.551 . . . . 0.0 110.442 173.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.16 -31.59 67.88 Favored 'General case' 0 C--N 1.379 1.87 0 C-N-CA 124.567 1.147 . . . . 0.0 113.143 176.196 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.21 92.46 Favored 'General case' 0 C--N 1.404 2.959 0 C-N-CA 125.202 1.401 . . . . 0.0 112.405 -177.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.2 mtt -64.37 -39.81 94.6 Favored 'General case' 0 C--N 1.396 2.619 0 O-C-N 125.111 1.507 . . . . 0.0 110.719 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -66.12 -40.76 90.95 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 124.545 1.138 . . . . 0.0 110.668 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -64.13 -40.66 96.66 Favored 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 -175.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.01 -40.53 78.61 Favored 'General case' 0 N--CA 1.51 2.569 0 C-N-CA 123.897 0.879 . . . . 0.0 111.976 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.68 -32.36 69.59 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 124.522 1.129 . . . . 0.0 112.462 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -65.89 -42.82 89.8 Favored 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 125.712 1.605 . . . . 0.0 113.682 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -73.14 -42.93 62.32 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.04 -40.25 68.51 Favored 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -173.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -88.94 -13.61 38.61 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.56 90.02 Favored 'General case' 0 N--CA 1.515 2.786 0 C-N-CA 125.42 1.488 . . . . 0.0 113.359 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -84.62 -17.11 39.71 Favored 'General case' 0 N--CA 1.508 2.427 0 C-N-CA 125.94 1.696 . . . . 0.0 114.026 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -93.34 -19.97 20.82 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 126.141 1.776 . . . . 0.0 109.584 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.14 88.16 0.09 Allowed 'General case' 0 C--N 1.389 2.307 0 C-N-CA 126.47 1.908 . . . . 0.0 108.257 -176.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.98 128.43 21.48 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-N 112.155 -2.293 . . . . 0.0 115.973 -175.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -68.97 -8.35 23.32 Favored 'Trans proline' 1 C--N 1.428 4.756 0 C-N-CA 122.814 2.343 . . . . 0.0 111.568 170.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -64.1 -27.87 69.39 Favored 'General case' 0 C--N 1.391 2.397 0 C-N-CA 123.888 0.875 . . . . 0.0 111.427 176.496 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.32 -40.99 83.55 Favored 'General case' 0 N--CA 1.521 3.093 0 C-N-CA 126.01 1.724 . . . . 0.0 112.004 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.37 70.66 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-N 113.251 -1.795 . . . . 0.0 110.751 -175.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -72.16 -38.93 69.05 Favored 'General case' 0 CA--C 1.58 2.117 0 O-C-N 123.918 0.761 . . . . 0.0 112.358 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 29.9 mt-10 -78.07 -50.04 12.81 Favored 'General case' 0 N--CA 1.511 2.591 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -177.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.464 ' O ' ' HB2' ' A' ' 149' ' ' ASP . 5.7 mt -69.35 -39.79 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.66 0 C-N-CA 124.182 0.993 . . . . 0.0 110.445 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 92.4 m -63.41 -40.93 98.53 Favored 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 123.73 0.812 . . . . 0.0 110.974 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.32 93.72 Favored 'General case' 0 N--CA 1.511 2.599 0 C-N-CA 124.248 1.019 . . . . 0.0 112.865 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.37 -27.63 59.21 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 124.659 1.184 . . . . 0.0 111.599 177.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 0.4 OUTLIER -69.52 -31.74 70.16 Favored 'General case' 0 C--N 1.394 2.51 0 C-N-CA 125.972 1.709 . . . . 0.0 110.988 177.886 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -74.06 -36.17 64.33 Favored 'General case' 0 C--N 1.389 2.292 0 C-N-CA 126.142 1.777 . . . . 0.0 109.36 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -72.03 -32.86 67.55 Favored 'General case' 0 C--N 1.386 2.162 0 C-N-CA 125.534 1.534 . . . . 0.0 112.352 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.56 -39.69 91.97 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 124.57 1.148 . . . . 0.0 108.893 174.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 17.6 p -76.65 -35.16 58.15 Favored 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 123.596 0.758 . . . . 0.0 112.144 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -70.38 -31.48 68.74 Favored 'General case' 0 N--CA 1.509 2.488 0 C-N-CA 124.766 1.227 . . . . 0.0 112.05 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 66.8 m -70.58 -37.73 73.98 Favored 'General case' 0 C--N 1.383 2.057 0 C-N-CA 123.83 0.852 . . . . 0.0 110.158 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -37.13 74.03 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 124.451 1.101 . . . . 0.0 113.636 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -42.33 68.45 Favored 'General case' 0 CA--C 1.573 1.845 0 C-N-CA 124.023 0.929 . . . . 0.0 111.449 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.8 75.1 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.237 1.415 . . . . 0.0 112.844 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 46.4 mt -70.2 -43.93 78.34 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.742 0 C-N-CA 125.744 1.618 . . . . 0.0 109.861 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.83 94.59 Favored 'General case' 0 N--CA 1.511 2.623 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -65.34 -39.47 92.42 Favored 'General case' 0 N--CA 1.516 2.848 0 C-N-CA 124.785 1.234 . . . . 0.0 113.598 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 17.7 p -70.6 -33.12 70.69 Favored 'General case' 0 N--CA 1.511 2.618 0 C-N-CA 124.045 0.938 . . . . 0.0 112.246 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.13 -36.36 74.72 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 125.043 1.337 . . . . 0.0 112.127 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.5 -37.38 86.61 Favored 'General case' 0 N--CA 1.516 2.842 0 C-N-CA 125.189 1.395 . . . . 0.0 112.619 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.0 -33.35 73.52 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.725 1.21 . . . . 0.0 110.899 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -28.67 54.1 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 125.663 1.585 . . . . 0.0 112.046 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -68.68 -34.89 76.45 Favored 'General case' 0 N--CA 1.506 2.363 0 C-N-CA 125.935 1.694 . . . . 0.0 112.13 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.385 2.125 0 C-N-CA 125.37 1.468 . . . . 0.0 114.503 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo . . . . . 0 N--CA 1.527 3.443 0 N-CA-C 117.838 2.207 . . . . 0.0 117.838 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mt -84.39 -36.04 22.73 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 119.045 0.839 . . . . 0.0 111.805 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.11 -36.37 48.04 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 125.049 1.34 . . . . 0.0 112.448 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -31.93 70.48 Favored 'General case' 0 C--N 1.385 2.114 0 C-N-CA 123.939 0.896 . . . . 0.0 109.535 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.41 -37.42 85.18 Favored 'General case' 0 C--N 1.372 1.561 0 O-C-N 124.675 1.235 . . . . 0.0 110.531 177.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -70.03 -40.95 74.87 Favored 'General case' 0 C--N 1.385 2.15 0 C-N-CA 124.171 0.988 . . . . 0.0 110.833 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.58 -43.94 89.62 Favored 'General case' 0 C--N 1.39 2.336 0 O-C-N 124.399 1.062 . . . . 0.0 112.093 173.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -64.76 -40.65 95.63 Favored 'General case' 0 C--N 1.401 2.835 0 C-N-CA 125.393 1.477 . . . . 0.0 114.734 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -69.68 -36.36 75.92 Favored 'General case' 0 C--N 1.378 1.829 0 CA-C-O 117.858 -1.067 . . . . 0.0 110.588 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.74 -30.99 71.85 Favored 'General case' 0 N--CA 1.504 2.253 0 C-N-CA 123.991 0.916 . . . . 0.0 111.498 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.4 t -75.87 -47.94 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.475 0 C-N-CA 125.711 1.604 . . . . 0.0 111.32 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.49 -29.42 67.06 Favored 'General case' 0 N--CA 1.505 2.311 0 CA-C-N 118.807 0.731 . . . . 0.0 111.342 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.95 93.58 Favored 'General case' 0 N--CA 1.511 2.588 0 C-N-CA 125.054 1.342 . . . . 0.0 110.331 171.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -34.91 68.55 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 125.296 1.438 . . . . 0.0 111.568 177.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -60.68 -39.94 90.31 Favored 'General case' 0 N--CA 1.508 2.436 0 C-N-CA 127.385 2.274 . . . . 0.0 111.785 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -29.4 64.48 Favored 'General case' 0 N--CA 1.505 2.28 0 C-N-CA 124.197 0.999 . . . . 0.0 111.942 175.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.38 -21.34 45.86 Favored 'General case' 0 CA--C 1.589 2.448 0 C-N-CA 123.683 0.793 . . . . 0.0 112.075 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.411 ' O ' HG22 ' A' ' 21' ' ' ILE . 63.3 mt -110.45 18.48 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.551 0 C-N-CA 128.275 2.63 . . . . 0.0 109.14 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.01 -84.56 0.16 Allowed Glycine 0 C--N 1.369 2.4 0 CA-C-O 116.713 -2.159 . . . . 0.0 112.383 -176.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -66.75 -2.42 7.58 Favored 'Trans proline' 1 C--N 1.421 4.378 0 CA-C-N 122.183 2.991 . . . . 0.0 115.125 175.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.62 -8.69 54.24 Favored 'General case' 0 CA--C 1.58 2.122 0 C-N-CA 126.407 1.883 . . . . 0.0 113.134 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.431 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.499 1.989 0 C-N-CA 126.672 1.989 . . . . 0.0 115.846 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 121.708 0.765 . . . . 0.0 109.853 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -82.5 -3.37 55.75 Favored 'General case' 0 N--CA 1.51 2.564 0 C-N-CA 125.308 1.443 . . . . 0.0 114.085 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -79.17 -16.71 56.2 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 123.712 0.805 . . . . 0.0 112.487 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.37 -4.53 59.19 Favored 'General case' 0 C--N 1.387 2.205 0 C-N-CA 123.753 0.821 . . . . 0.0 113.089 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.97 156.32 29.79 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 123.823 0.849 . . . . 0.0 112.573 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.54 112.3 18.32 Favored 'General case' 0 C--N 1.382 1.999 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.8 m 68.01 113.44 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.42 0 C-N-CA 127.87 2.468 . . . . 0.0 113.898 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -91.42 -45.64 8.44 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 112.251 -2.249 . . . . 0.0 110.969 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.06 8.12 41.03 Favored Glycine 1 N--CA 1.519 4.188 0 CA-C-O 115.823 -2.654 . . . . 0.0 118.241 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 60.51 29.06 18.72 Favored 'General case' 0 C--N 1.407 3.106 0 CA-C-N 121.844 2.822 . . . . 0.0 112.241 -175.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -156.4 151.17 25.95 Favored 'General case' 0 C--N 1.376 1.729 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -175.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.431 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 5.8 mp -70.61 -22.68 62.51 Favored 'General case' 0 N--CA 1.522 3.174 0 C-N-CA 124.996 1.318 . . . . 0.0 108.69 169.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.75 -35.69 87.21 Favored Glycine 0 C--N 1.382 3.134 0 C-N-CA 124.965 1.269 . . . . 0.0 114.377 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.88 -23.46 39.0 Favored 'General case' 0 C--N 1.395 2.585 0 CA-C-N 117.879 0.84 . . . . 0.0 111.206 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -81.08 -31.61 34.32 Favored 'General case' 0 C--N 1.388 2.265 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.861 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -77.6 -33.08 53.93 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 125.136 1.375 . . . . 0.0 112.301 176.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -39.16 73.6 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.154 1.382 . . . . 0.0 111.863 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.07 -32.19 61.44 Favored 'General case' 0 C--N 1.384 2.083 0 C-N-CA 123.687 0.795 . . . . 0.0 111.378 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.12 -39.28 68.97 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 125.117 1.511 . . . . 0.0 112.261 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.12 -40.21 86.78 Favored 'General case' 0 CA--C 1.576 1.967 0 C-N-CA 124.166 0.986 . . . . 0.0 110.346 175.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -72.92 -25.73 61.16 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 126.503 1.921 . . . . 0.0 113.779 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 t -79.15 -34.06 43.59 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 123.939 0.896 . . . . 0.0 110.035 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.2 tp -72.13 -39.81 68.56 Favored 'General case' 0 C--N 1.381 1.957 0 C-N-CA 125.081 1.352 . . . . 0.0 110.617 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.1 p -71.17 -30.41 66.39 Favored 'General case' 0 N--CA 1.508 2.453 0 C-N-CA 125.204 1.402 . . . . 0.0 112.788 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -77.47 -35.46 53.75 Favored 'General case' 0 N--CA 1.51 2.532 0 C-N-CA 123.881 0.872 . . . . 0.0 112.611 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.28 -33.08 73.7 Favored 'General case' 0 C--N 1.392 2.417 0 C-N-CA 125.052 1.341 . . . . 0.0 110.791 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.0 -36.77 82.51 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 126.788 2.035 . . . . 0.0 111.557 175.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.88 94.17 Favored 'General case' 0 C--N 1.394 2.512 0 O-C-N 124.457 1.098 . . . . 0.0 112.014 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.12 -29.19 70.34 Favored 'General case' 0 C--N 1.394 2.53 0 C-N-CA 124.942 1.297 . . . . 0.0 113.486 173.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.9 t -66.69 -37.5 79.64 Favored 'Isoleucine or valine' 0 C--N 1.384 2.096 0 C-N-CA 124.956 1.302 . . . . 0.0 108.245 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -65.59 -19.6 65.98 Favored 'General case' 0 N--CA 1.51 2.543 0 C-N-CA 125.891 1.676 . . . . 0.0 111.929 174.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -77.24 -39.75 47.33 Favored 'General case' 0 C--N 1.383 2.026 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 172.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.43 30.96 2.71 Favored Glycine 0 C--N 1.383 3.177 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 171.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.91 114.83 27.13 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-O 121.923 0.868 . . . . 0.0 110.866 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.07 -25.57 61.83 Favored 'General case' 0 N--CA 1.502 2.131 0 CA-C-N 113.233 -1.803 . . . . 0.0 112.51 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.9 m -71.16 -37.85 72.21 Favored 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 125.307 1.443 . . . . 0.0 110.787 176.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -74.49 -23.0 58.79 Favored 'General case' 0 C--N 1.39 2.367 0 C-N-CA 124.275 1.03 . . . . 0.0 112.263 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.25 -46.88 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 126.39 1.876 . . . . 0.0 109.659 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.16 85.78 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 127.329 2.252 . . . . 0.0 112.486 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -46.13 86.71 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 126.132 1.773 . . . . 0.0 109.011 172.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.62 -41.98 98.23 Favored 'General case' 0 N--CA 1.511 2.585 0 O-C-N 124.711 1.257 . . . . 0.0 111.145 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.56 94.74 Favored 'General case' 0 N--CA 1.512 2.639 0 C-N-CA 125.183 1.393 . . . . 0.0 112.952 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.44 -38.08 77.66 Favored 'General case' 0 N--CA 1.52 3.049 0 C-N-CA 125.722 1.609 . . . . 0.0 111.31 176.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -69.92 -32.37 70.63 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 125.284 1.434 . . . . 0.0 110.244 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.96 -45.95 76.16 Favored 'General case' 0 CA--C 1.577 2.012 0 C-N-CA 124.87 1.268 . . . . 0.0 112.036 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.27 -39.79 82.06 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 125.09 1.356 . . . . 0.0 112.896 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.79 -36.37 80.34 Favored 'General case' 0 C--N 1.384 2.071 0 C-N-CA 125.984 1.713 . . . . 0.0 112.17 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -73.54 -28.03 61.66 Favored 'General case' 0 C--N 1.375 1.707 0 C-N-CA 123.553 0.741 . . . . 0.0 112.751 177.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 80' ' ' ALA . 15.3 mt -63.38 -45.88 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.411 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 175.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.6 -46.17 76.79 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 124.181 0.992 . . . . 0.0 112.672 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.28 -44.55 59.01 Favored 'General case' 0 C--N 1.381 1.961 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -176.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.0 mt -85.64 -45.71 11.45 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -175.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -64.99 -37.12 86.62 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 123.696 0.622 . . . . 0.0 112.491 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -76.94 -42.33 39.7 Favored 'General case' 0 CA--C 1.597 2.773 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -73.92 -31.58 63.14 Favored 'General case' 0 C--N 1.403 2.9 0 CA-C-N 118.411 0.551 . . . . 0.0 109.981 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.68 -23.48 53.19 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 125.417 1.487 . . . . 0.0 110.921 175.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.33 80.04 Favored 'General case' 0 C--N 1.416 3.499 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -176.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -80.38 -26.76 38.4 Favored 'General case' 0 N--CA 1.508 2.468 0 C-N-CA 124.376 1.07 . . . . 0.0 111.622 175.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.49 65.19 Favored 'General case' 0 CA--C 1.57 1.738 0 C-N-CA 124.599 1.16 . . . . 0.0 112.884 173.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.6 p -59.31 -11.61 4.41 Favored 'General case' 2 C--N 1.431 4.139 0 C-N-CA 125.613 1.565 . . . . 0.0 114.907 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.793 0 C-N-CA 127.233 2.213 . . . . 0.0 115.751 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 . . . . . 0 CA--C 1.573 1.83 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.58 -39.97 94.69 Favored 'General case' 0 N--CA 1.526 3.347 0 C-N-CA 124.694 1.197 . . . . 0.0 112.558 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -68.76 -33.87 74.62 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.405 1.882 . . . . 0.0 111.316 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.77 78.84 Favored 'General case' 0 C--N 1.383 2.038 0 C-N-CA 125.006 1.322 . . . . 0.0 110.909 173.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.702 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 5.1 mpt_? -72.49 -45.28 60.18 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 123.549 0.74 . . . . 0.0 110.54 175.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mp -60.42 -62.68 1.69 Allowed 'General case' 0 CA--C 1.592 2.585 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.79 -47.55 9.61 Favored 'General case' 0 C--N 1.383 2.037 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -175.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -71.95 -34.45 69.01 Favored 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.702 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 3.7 m-85 -69.83 -41.05 75.46 Favored 'General case' 0 C--N 1.395 2.552 0 CA-C-N 118.832 0.742 . . . . 0.0 111.847 178.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -68.55 -38.19 80.59 Favored 'General case' 0 C--N 1.394 2.507 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -64.15 -42.91 96.6 Favored 'General case' 0 N--CA 1.521 3.093 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -69.65 -37.39 76.72 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 124.419 1.088 . . . . 0.0 112.678 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -70.23 -34.38 72.8 Favored 'General case' 0 C--N 1.378 1.831 0 C-N-CA 124.891 1.277 . . . . 0.0 112.456 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -63.72 -41.75 98.02 Favored 'General case' 0 N--CA 1.51 2.532 0 C-N-CA 125.567 1.547 . . . . 0.0 114.376 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -72.93 -39.63 66.09 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.08 -32.66 72.32 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 123.588 0.555 . . . . 0.0 110.158 174.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -34.3 74.01 Favored 'General case' 0 C--N 1.382 1.994 0 C-N-CA 125.344 1.458 . . . . 0.0 112.316 175.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.35 85.35 Favored 'General case' 0 C--N 1.401 2.811 0 C-N-CA 124.948 1.299 . . . . 0.0 112.597 -178.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.5 mtt -65.87 -38.14 88.03 Favored 'General case' 0 C--N 1.391 2.382 0 O-C-N 124.892 1.37 . . . . 0.0 111.241 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -68.64 -38.29 80.37 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 125.378 1.471 . . . . 0.0 111.157 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -72.1 -42.33 66.26 Favored 'General case' 0 C--N 1.392 2.443 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.9 -41.96 70.57 Favored 'General case' 0 N--CA 1.512 2.642 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.9 -38.06 82.51 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 124.743 1.217 . . . . 0.0 113.058 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.527 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 2.1 tt0 -75.77 -26.21 57.16 Favored 'General case' 0 C--N 1.383 2.063 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -72.07 -52.75 15.37 Favored 'General case' 0 C--O 1.275 2.399 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -178.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.09 -39.34 75.62 Favored 'General case' 0 C--N 1.391 2.38 0 CA-C-N 113.769 -1.559 . . . . 0.0 113.98 -175.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -88.78 -11.49 44.76 Favored 'General case' 0 CA--C 1.583 2.222 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -65.65 -37.16 85.74 Favored 'General case' 0 N--CA 1.525 3.308 0 C-N-CA 124.427 1.091 . . . . 0.0 112.185 177.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -73.36 -11.4 60.47 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 125.59 1.556 . . . . 0.0 111.855 177.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -97.61 -21.49 17.02 Favored 'General case' 0 CA--C 1.584 2.287 0 C-N-CA 126.204 1.802 . . . . 0.0 108.878 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 65.29 38.72 5.71 Favored 'General case' 0 N--CA 1.534 3.732 0 C-N-CA 127.994 2.518 . . . . 0.0 111.857 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.559 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -83.54 129.19 60.98 Favored Pre-proline 0 CA--C 1.57 1.713 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.026 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.54 -8.45 8.99 Favored 'Trans proline' 1 C--N 1.426 4.64 0 C-N-CA 124.238 3.292 . . . . 0.0 112.873 171.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.4 OUTLIER -68.26 -15.21 63.48 Favored 'General case' 0 CA--C 1.576 1.96 0 C-N-CA 124.437 1.095 . . . . 0.0 113.069 178.414 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 138' ' ' ASP . 0.1 OUTLIER -75.05 -36.99 61.81 Favored 'General case' 0 N--CA 1.514 2.747 0 C-N-CA 123.932 0.893 . . . . 0.0 109.293 177.69 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.2 -37.13 69.32 Favored 'General case' 0 C--N 1.37 1.46 0 CA-C-N 114.268 -1.333 . . . . 0.0 111.62 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -71.56 -38.64 70.96 Favored 'General case' 0 CA--C 1.58 2.122 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 17.3 mt-10 -79.47 -45.97 18.37 Favored 'General case' 0 N--CA 1.509 2.482 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -176.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.429 ' O ' ' HB2' ' A' ' 149' ' ' ASP . 1.7 mp -67.83 -45.89 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 C-N-CA 126.504 1.921 . . . . 0.0 112.358 -178.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 93.5 m -61.75 -38.99 90.02 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 125.101 1.501 . . . . 0.0 110.723 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.94 97.04 Favored 'General case' 0 C--N 1.391 2.412 0 C-N-CA 123.868 0.867 . . . . 0.0 112.239 176.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.35 -29.65 59.98 Favored 'General case' 0 C--N 1.382 1.987 0 C-N-CA 124.987 1.315 . . . . 0.0 111.931 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 0.3 OUTLIER -70.89 -33.29 70.44 Favored 'General case' 0 C--N 1.389 2.323 0 C-N-CA 126.234 1.814 . . . . 0.0 112.314 179.517 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -76.13 -33.94 59.44 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 124.166 0.986 . . . . 0.0 108.945 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -71.56 -35.14 70.51 Favored 'General case' 0 C--N 1.389 2.307 0 C-N-CA 125.609 1.563 . . . . 0.0 112.48 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.75 -41.65 99.3 Favored 'General case' 0 C--N 1.38 1.904 0 C-N-CA 124.553 1.141 . . . . 0.0 109.95 174.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.5 p -77.15 -39.34 49.47 Favored 'General case' 0 CA--C 1.571 1.786 0 C-N-CA 123.951 0.9 . . . . 0.0 113.288 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -72.29 -33.68 67.61 Favored 'General case' 0 N--CA 1.516 2.837 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 89.2 m -72.4 -39.72 67.74 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 123.162 0.585 . . . . 0.0 110.537 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -60.88 -37.86 83.63 Favored 'General case' 0 C--N 1.394 2.502 0 C-N-CA 125.07 1.348 . . . . 0.0 112.757 177.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.1 m -71.88 -41.98 67.38 Favored 'General case' 0 CA--C 1.58 2.097 0 C-N-CA 125.061 1.345 . . . . 0.0 111.479 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.7 -39.22 84.4 Favored 'General case' 0 C--N 1.382 1.978 0 C-N-CA 125.898 1.679 . . . . 0.0 113.323 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 36.9 mt -68.32 -39.4 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.105 0 C-N-CA 126.033 1.733 . . . . 0.0 109.98 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.45 93.42 Favored 'General case' 0 C--N 1.39 2.365 0 C-N-CA 124.838 1.255 . . . . 0.0 113.479 176.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.79 -39.34 87.76 Favored 'General case' 0 N--CA 1.511 2.61 0 C-N-CA 125.299 1.44 . . . . 0.0 113.224 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 20.6 p -70.73 -31.63 68.54 Favored 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 124.248 1.019 . . . . 0.0 112.516 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.48 -34.3 72.22 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 125.33 1.452 . . . . 0.0 111.97 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.18 -36.04 80.93 Favored 'General case' 0 N--CA 1.51 2.567 0 C-N-CA 125.395 1.478 . . . . 0.0 112.247 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -68.91 -34.15 74.92 Favored 'General case' 0 C--N 1.376 1.734 0 C-N-CA 124.708 1.203 . . . . 0.0 110.726 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.1 mt -72.25 -31.44 65.81 Favored 'General case' 0 N--CA 1.507 2.419 0 C-N-CA 125.548 1.539 . . . . 0.0 112.08 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.74 -34.46 76.87 Favored 'General case' 0 N--CA 1.508 2.461 0 C-N-CA 126.354 1.861 . . . . 0.0 112.594 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? . . . . . 0 C--N 1.381 1.962 0 C-N-CA 127.654 2.382 . . . . 0.0 114.058 -179.83 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo . . . . . 0 CA--C 1.591 3.33 0 N-CA-C 117.726 2.164 . . . . 0.0 117.726 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -82.82 -33.62 27.15 Favored 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 123.822 0.849 . . . . 0.0 112.242 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.67 -35.8 52.0 Favored 'General case' 0 C--N 1.373 1.629 0 C-N-CA 125.138 1.375 . . . . 0.0 112.455 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -30.76 65.73 Favored 'General case' 0 C--N 1.381 1.966 0 C-N-CA 124.278 1.031 . . . . 0.0 110.447 178.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -67.63 -39.53 84.65 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 124.802 1.313 . . . . 0.0 111.766 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.0 m -71.39 -41.61 69.42 Favored 'General case' 0 C--N 1.386 2.153 0 C-N-CA 124.252 1.021 . . . . 0.0 110.757 176.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -44.58 83.54 Favored 'General case' 0 C--N 1.389 2.286 0 O-C-N 124.359 1.037 . . . . 0.0 112.29 173.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -65.91 -39.21 90.36 Favored 'General case' 0 C--N 1.399 2.727 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -69.48 -38.35 77.65 Favored 'General case' 0 C--N 1.376 1.742 0 CA-C-O 117.617 -1.182 . . . . 0.0 110.424 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -63.04 -29.16 70.61 Favored 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 124.039 0.936 . . . . 0.0 111.916 175.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.75 -46.05 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 C-N-CA 125.553 1.541 . . . . 0.0 111.207 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.457 ' HB1' HD21 ' A' ' 86' ' ' LEU . . . -69.46 -30.28 68.15 Favored 'General case' 0 N--CA 1.506 2.365 0 C-N-CA 123.379 0.672 . . . . 0.0 111.53 176.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.32 -39.76 89.49 Favored 'General case' 0 N--CA 1.51 2.548 0 C-N-CA 126.187 1.795 . . . . 0.0 110.574 171.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -34.46 68.11 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 124.522 1.129 . . . . 0.0 110.773 177.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -60.51 -43.55 96.95 Favored 'General case' 0 N--CA 1.503 2.191 0 C-N-CA 127.125 2.17 . . . . 0.0 111.856 178.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -78.14 -15.22 59.05 Favored 'General case' 0 N--CA 1.503 2.183 0 C-N-CA 125.124 1.37 . . . . 0.0 114.098 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -97.76 -16.42 19.88 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 125.433 1.493 . . . . 0.0 108.961 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.0 16.89 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.784 0 C-N-CA 125.977 1.711 . . . . 0.0 111.592 176.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.73 -76.58 0.29 Allowed Glycine 0 N--CA 1.497 2.719 0 CA-C-O 117.201 -1.888 . . . . 0.0 114.042 -173.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.03 -4.22 13.77 Favored 'Trans proline' 1 C--N 1.42 4.317 0 CA-C-N 121.481 2.64 . . . . 0.0 115.263 175.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mp -87.81 -6.39 58.16 Favored 'General case' 0 CA--C 1.577 1.992 0 C-N-CA 126.711 2.005 . . . . 0.0 112.605 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.495 1.79 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 178.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.948 0 CA-C-O 121.97 0.891 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -86.02 1.76 49.01 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-N 113.611 -1.631 . . . . 0.0 113.391 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -80.3 -24.59 39.88 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.594 1.158 . . . . 0.0 111.69 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -90.86 -4.19 56.77 Favored 'General case' 0 C--N 1.384 2.092 0 C-N-CA 124.858 1.263 . . . . 0.0 112.172 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -121.88 156.08 34.06 Favored 'General case' 0 C--N 1.377 1.765 0 C-N-CA 124.296 1.038 . . . . 0.0 113.268 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.4 113.59 19.01 Favored 'General case' 0 C--N 1.373 1.62 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.1 p -137.97 144.17 41.04 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.604 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -87.94 49.75 1.86 Allowed 'General case' 0 N--CA 1.508 2.46 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.75 -69.11 0.49 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 118.814 2.285 . . . . 0.0 118.814 169.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -176.08 60.5 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 119.25 1.525 . . . . 0.0 109.739 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -138.76 138.04 37.26 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.43 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 3.4 mp -68.32 -31.1 70.28 Favored 'General case' 0 N--CA 1.527 3.419 0 C-N-CA 124.257 1.023 . . . . 0.0 108.347 171.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.34 -35.02 87.36 Favored Glycine 0 C--N 1.383 3.168 0 C-N-CA 125.409 1.481 . . . . 0.0 113.866 176.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.29 -23.11 43.78 Favored 'General case' 0 C--N 1.392 2.438 0 C-N-CA 122.941 0.497 . . . . 0.0 112.243 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -81.52 -30.51 33.17 Favored 'General case' 0 C--N 1.384 2.091 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -75.66 -40.72 55.6 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 124.706 1.202 . . . . 0.0 112.463 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.79 -31.86 68.77 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 125.824 1.65 . . . . 0.0 112.87 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -80.5 -27.92 37.62 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 123.342 0.657 . . . . 0.0 109.833 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.11 -39.02 66.12 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 113.777 -1.556 . . . . 0.0 111.56 176.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -65.97 -40.3 91.13 Favored 'General case' 0 N--CA 1.509 2.477 0 C-N-CA 124.914 1.286 . . . . 0.0 111.372 175.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.12 -27.23 60.77 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 126.929 2.092 . . . . 0.0 113.668 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -30.16 41.7 Favored 'General case' 0 C--N 1.381 1.975 0 C-N-CA 123.365 0.666 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tp -71.23 -40.02 71.33 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 124.804 1.242 . . . . 0.0 110.49 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.5 p -70.96 -32.84 69.82 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 125.581 1.552 . . . . 0.0 113.992 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -75.91 -35.0 59.94 Favored 'General case' 0 N--CA 1.514 2.772 0 CA-C-N 119.306 0.957 . . . . 0.0 113.049 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.442 HD13 HD21 ' A' ' 75' ' ' LEU . 31.7 mt -67.31 -34.58 77.66 Favored 'General case' 0 N--CA 1.511 2.624 0 C-N-CA 125.108 1.363 . . . . 0.0 111.048 176.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -62.56 -34.75 77.57 Favored 'General case' 0 C--N 1.383 2.041 0 C-N-CA 126.893 2.077 . . . . 0.0 112.074 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.09 -40.02 90.45 Favored 'General case' 0 C--N 1.393 2.478 0 C-N-CA 123.954 0.901 . . . . 0.0 112.135 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.85 -27.87 69.46 Favored 'General case' 0 C--N 1.395 2.556 0 C-N-CA 124.731 1.213 . . . . 0.0 113.249 173.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -65.79 -39.14 83.94 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.953 0 C-N-CA 125.598 1.559 . . . . 0.0 108.954 175.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -68.03 -16.52 64.07 Favored 'General case' 0 N--CA 1.506 2.365 0 C-N-CA 126.111 1.764 . . . . 0.0 111.731 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -78.28 -39.96 38.43 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 171.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.17 27.36 4.54 Favored Glycine 0 C--N 1.38 3.017 0 N-CA-C 116.09 1.196 . . . . 0.0 116.09 170.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.74 113.9 23.85 Favored 'General case' 0 C--N 1.377 1.78 0 CA-C-N 118.22 1.01 . . . . 0.0 110.259 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.51 -29.36 65.84 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 112.758 -2.019 . . . . 0.0 112.863 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.2 m -70.61 -37.48 73.84 Favored 'General case' 0 CA--C 1.574 1.89 0 C-N-CA 124.816 1.246 . . . . 0.0 110.569 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -74.58 -20.98 59.72 Favored 'General case' 0 N--CA 1.507 2.409 0 C-N-CA 124.31 1.044 . . . . 0.0 111.876 178.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.5 t -77.42 -50.93 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 125.546 1.538 . . . . 0.0 109.869 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.42 82.16 Favored 'General case' 0 C--N 1.393 2.465 0 C-N-CA 127.545 2.338 . . . . 0.0 112.985 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.46 -42.31 99.38 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 125.564 1.546 . . . . 0.0 109.246 172.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.442 HD21 HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.49 -31.68 63.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 124.424 1.077 . . . . 0.0 112.034 176.583 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.71 95.66 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 124.603 1.161 . . . . 0.0 111.687 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -71.6 -36.83 70.96 Favored 'General case' 0 N--CA 1.518 2.943 0 C-N-CA 126.308 1.843 . . . . 0.0 111.095 176.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -71.22 -29.31 64.97 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 125.721 1.608 . . . . 0.0 110.359 173.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -43.09 66.33 Favored 'General case' 0 C--N 1.377 1.795 0 C-N-CA 124.123 0.969 . . . . 0.0 111.606 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.51 -39.83 81.09 Favored 'General case' 0 C--N 1.389 2.299 0 C-N-CA 125.328 1.451 . . . . 0.0 112.216 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.48 83.53 Favored 'General case' 0 C--N 1.39 2.327 0 C-N-CA 126.006 1.722 . . . . 0.0 111.639 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -73.74 -27.02 60.96 Favored 'General case' 0 C--N 1.377 1.78 0 C-N-CA 124.234 1.014 . . . . 0.0 112.285 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.554 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 34.8 mt -63.1 -45.59 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.398 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.43 -44.4 83.01 Favored 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 124.872 1.269 . . . . 0.0 112.196 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.42 -44.96 57.21 Favored 'General case' 0 C--N 1.379 1.864 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.457 HD21 ' HB1' ' A' ' 15' ' ' ALA . 91.1 mt -85.18 -45.45 12.02 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -175.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.554 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 28.8 mt-30 -64.75 -36.52 84.58 Favored 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 118.816 0.734 . . . . 0.0 112.38 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -78.41 -39.93 37.43 Favored 'General case' 0 CA--C 1.589 2.466 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -76.92 -29.25 55.6 Favored 'General case' 0 N--CA 1.514 2.75 0 CA-C-N 119.548 1.067 . . . . 0.0 109.686 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.18 -22.92 47.93 Favored 'General case' 0 C--N 1.387 2.202 0 C-N-CA 125.614 1.566 . . . . 0.0 110.432 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.34 97.12 Favored 'General case' 0 C--N 1.415 3.414 0 C-N-CA 122.99 0.516 . . . . 0.0 112.356 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.8 p -75.93 -28.89 58.15 Favored 'General case' 0 C--N 1.395 2.575 0 C-N-CA 124.436 1.094 . . . . 0.0 111.175 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.0 -36.06 72.11 Favored 'General case' 0 N--CA 1.512 2.647 0 C-N-CA 124.612 1.165 . . . . 0.0 113.637 174.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.8 p -75.9 -9.73 58.84 Favored 'General case' 0 N--CA 1.525 3.309 0 C-N-CA 124.266 1.026 . . . . 0.0 112.175 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.1 tt . . . . . 0 N--CA 1.486 1.342 0 C-N-CA 127.474 2.309 . . . . 0.0 108.532 176.203 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? . . . . . 0 CA--C 1.561 1.403 0 CA-C-O 121.068 0.461 . . . . 0.0 112.134 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.8 mt -71.14 -41.49 70.38 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 124.18 0.992 . . . . 0.0 110.192 177.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -66.16 -41.72 89.98 Favored 'General case' 0 C--N 1.373 1.607 0 C-N-CA 127.982 2.513 . . . . 0.0 110.77 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.11 -35.5 78.25 Favored 'General case' 0 C--N 1.382 2.019 0 C-N-CA 125.009 1.324 . . . . 0.0 112.431 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -72.16 -48.28 44.54 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 123.479 0.712 . . . . 0.0 111.42 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.2 mp -64.53 -58.86 5.21 Favored 'General case' 0 CA--C 1.588 2.421 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.28 -43.82 63.69 Favored 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 117.264 2.32 . . . . 0.0 117.264 -177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.84 -38.23 73.2 Favored 'General case' 0 N--CA 1.512 2.629 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -68.69 -39.43 80.56 Favored 'General case' 0 C--N 1.387 2.205 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.96 -42.67 84.78 Favored 'General case' 0 N--CA 1.506 2.36 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -71.71 -43.07 66.57 Favored 'General case' 0 N--CA 1.519 3.001 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -69.17 -36.95 77.92 Favored 'General case' 0 N--CA 1.506 2.368 0 C-N-CA 124.302 1.041 . . . . 0.0 113.687 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.64 -35.35 75.15 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.52 1.128 . . . . 0.0 112.648 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -62.96 -43.77 97.89 Favored 'General case' 0 N--CA 1.513 2.721 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -72.91 -39.96 65.9 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.62 -32.81 70.76 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 123.454 0.471 . . . . 0.0 110.565 173.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.9 mt -70.95 -33.01 70.06 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 124.557 1.143 . . . . 0.0 113.075 176.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.4 -38.92 91.39 Favored 'General case' 0 C--N 1.406 3.054 0 C-N-CA 125.591 1.557 . . . . 0.0 111.825 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 62.3 mtt -63.77 -39.63 94.72 Favored 'General case' 0 C--N 1.39 2.357 0 O-C-N 125.077 1.486 . . . . 0.0 110.422 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.21 -39.35 86.29 Favored 'General case' 0 C--N 1.39 2.341 0 C-N-CA 124.772 1.229 . . . . 0.0 110.553 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -66.69 -40.69 88.61 Favored 'General case' 0 N--CA 1.517 2.914 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.33 -40.09 85.87 Favored 'General case' 0 N--CA 1.51 2.574 0 C-N-CA 124.057 0.943 . . . . 0.0 111.811 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -71.31 -29.48 65.08 Favored 'General case' 0 C--N 1.384 2.101 0 C-N-CA 124.501 1.12 . . . . 0.0 111.909 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 21.2 mt-10 -63.54 -44.93 92.79 Favored 'General case' 0 N--CA 1.507 2.411 0 C-N-CA 125.484 1.514 . . . . 0.0 113.711 177.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -74.18 -44.46 53.37 Favored 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.89 -39.88 72.54 Favored 'General case' 0 C--N 1.389 2.315 0 CA-C-N 114.258 -1.337 . . . . 0.0 114.574 -173.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -90.29 -12.08 38.89 Favored 'General case' 0 CA--C 1.582 2.176 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -63.98 -39.76 94.87 Favored 'General case' 0 N--CA 1.52 3.052 0 C-N-CA 125.891 1.676 . . . . 0.0 113.646 175.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -83.05 -15.42 51.05 Favored 'General case' 0 N--CA 1.511 2.585 0 C-N-CA 126.402 1.881 . . . . 0.0 114.141 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -93.66 -17.35 23.34 Favored 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 125.75 1.62 . . . . 0.0 110.133 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.6 t60 61.84 82.71 0.17 Allowed 'General case' 0 C--N 1.397 2.634 0 C-N-CA 126.29 1.836 . . . . 0.0 107.107 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.17 120.35 28.29 Favored Pre-proline 0 CA--C 1.556 1.188 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -172.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.63 -10.53 29.07 Favored 'Trans proline' 1 C--N 1.426 4.644 0 C-N-CA 123.219 2.612 . . . . 0.0 110.941 167.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -62.68 -31.29 72.16 Favored 'General case' 0 C--N 1.392 2.442 0 C-N-CA 124.482 1.113 . . . . 0.0 111.282 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.55 -38.72 78.42 Favored 'General case' 0 N--CA 1.526 3.369 0 C-N-CA 126.22 1.808 . . . . 0.0 112.329 176.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.55 -39.65 67.3 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 113.093 -1.867 . . . . 0.0 110.765 -176.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -72.76 -39.93 66.42 Favored 'General case' 0 CA--C 1.581 2.141 0 C-N-CA 123.671 0.788 . . . . 0.0 112.924 175.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -77.94 -47.09 19.41 Favored 'General case' 0 N--CA 1.513 2.683 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 50.1 mt -69.43 -39.33 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.695 0 C-N-CA 124.855 1.262 . . . . 0.0 110.252 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 99.6 m -63.45 -39.59 94.89 Favored 'General case' 0 N--CA 1.508 2.464 0 C-N-CA 124.21 1.004 . . . . 0.0 110.675 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.57 95.77 Favored 'General case' 0 N--CA 1.51 2.54 0 C-N-CA 124.619 1.167 . . . . 0.0 112.62 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.93 -26.41 56.87 Favored 'General case' 0 C--N 1.38 1.905 0 C-N-CA 124.673 1.189 . . . . 0.0 111.7 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -32.81 73.78 Favored 'General case' 0 C--N 1.39 2.331 0 C-N-CA 126.431 1.892 . . . . 0.0 111.512 177.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -76.59 -35.87 57.87 Favored 'General case' 0 C--N 1.393 2.465 0 C-N-CA 124.771 1.229 . . . . 0.0 109.322 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -71.68 -32.8 68.25 Favored 'General case' 0 C--N 1.387 2.231 0 C-N-CA 125.433 1.493 . . . . 0.0 112.703 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -39.3 90.35 Favored 'General case' 0 C--N 1.383 2.053 0 C-N-CA 124.782 1.233 . . . . 0.0 109.554 174.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.6 p -77.3 -36.73 53.88 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 123.619 0.767 . . . . 0.0 112.833 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -73.99 -30.35 62.43 Favored 'General case' 0 N--CA 1.518 2.957 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.32 -37.93 68.8 Favored 'General case' 0 C--N 1.386 2.18 0 C-N-CA 123.931 0.893 . . . . 0.0 108.91 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -60.26 -39.34 86.44 Favored 'General case' 0 C--N 1.389 2.323 0 C-N-CA 125.926 1.691 . . . . 0.0 113.949 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 33.0 m -64.36 -39.22 93.46 Favored 'General case' 0 C--N 1.384 2.091 0 C-N-CA 126.056 1.742 . . . . 0.0 109.551 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.23 -37.87 78.24 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 125.651 1.58 . . . . 0.0 111.924 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 39.2 mt -69.26 -45.25 79.64 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.983 0 C-N-CA 125.945 1.698 . . . . 0.0 109.788 175.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.99 94.01 Favored 'General case' 0 C--N 1.394 2.523 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 176.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.05 -38.52 82.56 Favored 'General case' 0 N--CA 1.516 2.837 0 C-N-CA 124.804 1.242 . . . . 0.0 113.723 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.2 p -70.61 -31.38 68.34 Favored 'General case' 0 N--CA 1.512 2.644 0 C-N-CA 124.373 1.069 . . . . 0.0 112.353 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.29 -35.82 76.42 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 125.224 1.41 . . . . 0.0 111.771 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.25 -35.37 79.39 Favored 'General case' 0 N--CA 1.513 2.696 0 C-N-CA 125.462 1.505 . . . . 0.0 112.629 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.03 -32.21 71.57 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 124.856 1.262 . . . . 0.0 111.002 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.4 mt -76.89 -27.51 55.02 Favored 'General case' 0 C--N 1.382 1.99 0 C-N-CA 125.777 1.631 . . . . 0.0 111.961 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -70.42 -44.1 68.61 Favored 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 116.445 2.017 . . . . 0.0 116.445 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 C--N 1.386 2.172 0 CA-C-N 118.832 0.742 . . . . 0.0 112.276 -175.33 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mtt . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.076 0.465 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -115.85 127.79 55.3 Favored 'General case' 0 N--CA 1.498 1.964 0 C-N-CA 124.034 0.933 . . . . 0.0 111.148 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p -125.78 128.52 24.56 Favored Pre-proline 0 N--CA 1.498 1.953 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.37 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -64.81 117.01 4.14 Favored 'Trans proline' 1 C--N 1.436 5.158 0 C-N-CA 123.019 2.479 . . . . 0.0 114.367 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.0 -46.65 5.53 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 123.361 0.664 . . . . 0.0 112.184 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.0 -36.65 56.25 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 125.027 1.331 . . . . 0.0 112.432 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.27 -32.44 70.26 Favored 'General case' 0 C--N 1.378 1.836 0 C-N-CA 124.405 1.082 . . . . 0.0 111.179 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -69.0 -37.43 78.7 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 124.511 1.132 . . . . 0.0 111.507 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -72.23 -40.91 67.4 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 124.286 1.034 . . . . 0.0 110.949 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mt -58.76 -43.69 90.41 Favored 'General case' 0 C--N 1.388 2.282 0 O-C-N 124.294 0.997 . . . . 0.0 112.346 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -65.67 -39.55 91.44 Favored 'General case' 0 C--N 1.4 2.775 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -69.77 -37.29 76.34 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.991 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -61.98 -32.1 72.53 Favored 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 124.462 1.105 . . . . 0.0 111.769 175.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.4 t -75.31 -46.06 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 C-N-CA 125.336 1.455 . . . . 0.0 110.994 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.05 69.43 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 123.564 0.746 . . . . 0.0 111.54 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.62 93.19 Favored 'General case' 0 N--CA 1.514 2.733 0 C-N-CA 125.715 1.606 . . . . 0.0 110.998 171.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 mt -72.42 -37.21 68.68 Favored 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 124.336 1.055 . . . . 0.0 110.9 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -60.43 -40.64 91.79 Favored 'General case' 0 N--CA 1.5 2.071 0 C-N-CA 126.922 2.089 . . . . 0.0 112.232 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.18 -29.13 63.7 Favored 'General case' 0 N--CA 1.507 2.419 0 C-N-CA 123.455 0.702 . . . . 0.0 112.786 177.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mp -81.12 -18.32 46.85 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 125.897 1.679 . . . . 0.0 112.446 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.0 mt -114.74 15.24 8.07 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.476 0 C-N-CA 128.169 2.588 . . . . 0.0 107.818 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.0 -98.56 0.45 Allowed Glycine 0 C--N 1.361 1.925 0 CA-C-O 116.537 -2.257 . . . . 0.0 114.834 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -50.6 -14.24 1.09 Allowed 'Trans proline' 1 C--N 1.424 4.541 0 C-N-CA 124.434 3.423 . . . . 0.0 117.486 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mp -70.04 -37.52 75.6 Favored 'General case' 0 C--N 1.383 2.044 0 C-N-CA 124.755 1.222 . . . . 0.0 113.189 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.66 -11.3 59.87 Favored 'General case' 0 C--N 1.393 2.475 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -80.71 -25.46 38.1 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 118.452 0.569 . . . . 0.0 111.156 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -114.26 -173.92 2.38 Favored 'General case' 0 N--CA 1.499 2.01 0 C-N-CA 126.181 1.793 . . . . 0.0 110.233 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -91.97 92.17 8.19 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 121.879 0.847 . . . . 0.0 111.548 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -129.61 155.86 45.14 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 114.251 -1.34 . . . . 0.0 111.851 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -97.67 97.87 9.39 Favored 'General case' 0 CA--C 1.58 2.122 0 C-N-CA 124.548 1.139 . . . . 0.0 111.464 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.1 m -114.17 105.23 54.35 Favored Pre-proline 0 C--N 1.383 2.043 0 CA-C-N 119.823 1.192 . . . . 0.0 111.968 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -82.12 -5.03 12.02 Favored 'Trans proline' 1 C--N 1.425 4.593 0 C-N-CA 123.489 2.792 . . . . 0.0 117.002 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -98.54 24.19 7.72 Favored 'General case' 0 N--CA 1.503 2.216 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -74.49 111.33 9.56 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.59 92.14 6.92 Favored 'General case' 0 C--N 1.372 1.585 0 CA-C-N 120.005 1.275 . . . . 0.0 110.379 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -83.8 -2.46 56.39 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 112.94 -1.937 . . . . 0.0 113.788 -177.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -80.09 -30.97 39.31 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.587 0.755 . . . . 0.0 110.641 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -101.88 -2.26 30.29 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 123.992 0.917 . . . . 0.0 112.46 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.31 151.83 36.94 Favored 'General case' 0 C--N 1.382 1.997 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.49 106.7 10.38 Favored 'General case' 0 C--N 1.381 1.971 0 N-CA-C 106.301 -1.741 . . . . 0.0 106.301 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 0.1 OUTLIER 166.56 175.65 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 127.013 2.125 . . . . 0.0 108.296 -178.539 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -85.91 -41.17 15.17 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.41 81.27 0.09 OUTLIER Glycine 0 N--CA 1.509 3.56 0 N-CA-C 119.323 2.489 . . . . 0.0 119.323 172.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.35 17.84 1.53 Allowed 'General case' 0 C--N 1.372 1.544 0 CA-C-N 119.725 1.763 . . . . 0.0 106.774 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.593 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 75.5 ttt180 -157.37 153.84 27.95 Favored 'General case' 0 C--N 1.387 2.199 0 C-N-CA 126.365 1.866 . . . . 0.0 110.799 -174.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.18 -21.92 64.85 Favored 'General case' 0 N--CA 1.524 3.229 0 C-N-CA 123.894 0.878 . . . . 0.0 110.924 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.593 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -60.24 -40.44 97.35 Favored Glycine 0 C--N 1.382 3.116 0 N-CA-C 115.947 1.139 . . . . 0.0 115.947 -178.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.481 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 17.9 m-20 -77.83 -27.82 50.07 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 123.605 0.762 . . . . 0.0 112.962 -176.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -83.38 -28.1 29.16 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 114.718 -1.128 . . . . 0.0 110.231 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.4 HD22 HH22 ' A' ' 156' ' ' ARG . 3.6 mt -74.14 -36.45 64.13 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 124.962 1.305 . . . . 0.0 111.832 176.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -30.27 66.8 Favored 'General case' 0 C--N 1.371 1.543 0 C-N-CA 125.732 1.613 . . . . 0.0 111.322 176.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -81.61 -31.59 32.41 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 123.432 0.693 . . . . 0.0 109.796 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.36 -38.45 65.71 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 113.787 -1.551 . . . . 0.0 111.952 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -39.03 82.31 Favored 'General case' 0 CA--C 1.573 1.857 0 C-N-CA 124.447 1.099 . . . . 0.0 109.918 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.75 -27.17 61.87 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.903 1.681 . . . . 0.0 113.562 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.91 -31.66 40.18 Favored 'General case' 0 C--N 1.382 2.006 0 C-N-CA 123.946 0.898 . . . . 0.0 110.186 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.4 tp -71.35 -41.25 70.01 Favored 'General case' 0 C--N 1.382 2.002 0 C-N-CA 125.076 1.35 . . . . 0.0 110.065 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.4 p -71.95 -29.55 64.38 Favored 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 125.717 1.607 . . . . 0.0 113.593 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -76.87 -37.72 55.01 Favored 'General case' 0 N--CA 1.508 2.434 0 C-N-CA 123.603 0.761 . . . . 0.0 112.722 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.81 -31.96 68.88 Favored 'General case' 0 C--N 1.389 2.319 0 C-N-CA 124.753 1.221 . . . . 0.0 111.193 177.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -33.92 76.91 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 126.745 2.018 . . . . 0.0 111.785 176.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.35 -39.63 89.31 Favored 'General case' 0 C--N 1.393 2.49 0 O-C-N 124.025 0.828 . . . . 0.0 111.385 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.9 -28.01 68.62 Favored 'General case' 0 C--N 1.393 2.493 0 C-N-CA 125.093 1.357 . . . . 0.0 113.013 173.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.94 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.382 1.994 0 C-N-CA 125.564 1.546 . . . . 0.0 108.31 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -68.36 -13.47 62.3 Favored 'General case' 0 N--CA 1.507 2.385 0 C-N-CA 126.417 1.887 . . . . 0.0 112.308 174.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -81.12 -38.82 26.61 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 171.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.81 31.11 2.59 Favored Glycine 0 C--N 1.378 2.889 0 N-CA-C 116.355 1.302 . . . . 0.0 116.355 171.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.3 111.58 23.33 Favored 'General case' 0 C--N 1.376 1.719 0 CA-C-O 121.779 0.8 . . . . 0.0 109.562 178.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.68 -24.96 61.92 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.496 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.5 m -71.26 -37.67 71.91 Favored 'General case' 0 CA--C 1.571 1.77 0 C-N-CA 125.136 1.374 . . . . 0.0 110.4 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.71 -22.25 58.94 Favored 'General case' 0 C--N 1.391 2.381 0 C-N-CA 124.456 1.102 . . . . 0.0 111.998 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.3 t -75.81 -49.4 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 C-N-CA 126.215 1.806 . . . . 0.0 109.663 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.38 81.31 Favored 'General case' 0 C--N 1.384 2.097 0 C-N-CA 127.194 2.197 . . . . 0.0 112.718 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -64.14 -42.61 96.72 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 125.892 1.677 . . . . 0.0 109.924 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.44 -33.53 67.13 Favored 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 124.665 1.186 . . . . 0.0 110.711 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.04 94.61 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 124.489 1.116 . . . . 0.0 111.84 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.03 -38.08 72.58 Favored 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 126.202 1.801 . . . . 0.0 111.231 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.36 -29.45 64.98 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 125.366 1.466 . . . . 0.0 110.556 174.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.61 -42.14 64.81 Favored 'General case' 0 C--N 1.374 1.673 0 C-N-CA 123.942 0.897 . . . . 0.0 112.104 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.439 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.76 -40.17 79.9 Favored 'General case' 0 C--N 1.39 2.327 0 C-N-CA 125.205 1.402 . . . . 0.0 112.657 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.05 -37.94 84.94 Favored 'General case' 0 C--N 1.389 2.288 0 C-N-CA 126.085 1.754 . . . . 0.0 112.062 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -73.35 -27.29 61.42 Favored 'General case' 0 C--N 1.376 1.746 0 C-N-CA 124.229 1.011 . . . . 0.0 112.31 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 80' ' ' ALA . 26.5 mt -61.9 -46.17 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.454 0 C-N-CA 123.167 0.587 . . . . 0.0 109.88 174.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.5 mt-10 -66.56 -43.57 84.65 Favored 'General case' 0 N--CA 1.503 2.215 0 C-N-CA 124.884 1.274 . . . . 0.0 112.032 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.29 -44.48 59.11 Favored 'General case' 0 C--N 1.377 1.778 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 mp -85.93 -44.71 12.16 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 115.786 1.772 . . . . 0.0 115.786 -175.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 30.6 mt-30 -66.13 -39.07 89.6 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 123.905 0.753 . . . . 0.0 112.407 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.6 mtt180 -78.72 -39.57 36.04 Favored 'General case' 0 C--N 1.388 2.269 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.73 -31.71 65.17 Favored 'General case' 0 N--CA 1.513 2.709 0 CA-C-N 119.467 1.03 . . . . 0.0 110.511 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.17 -29.14 61.63 Favored 'General case' 0 C--N 1.388 2.255 0 C-N-CA 124.271 1.029 . . . . 0.0 109.926 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.34 -35.78 73.81 Favored 'General case' 0 C--N 1.41 3.205 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.4 p -85.02 -22.41 29.05 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 123.96 0.904 . . . . 0.0 110.602 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.98 -26.77 57.07 Favored 'General case' 0 C--N 1.387 2.234 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.723 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.14 -8.92 58.1 Favored 'General case' 0 C--N 1.392 2.454 0 C-N-CA 125.57 1.548 . . . . 0.0 113.126 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mt -89.89 -25.69 20.85 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -88.37 -13.86 39.57 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 172.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -115.77 37.46 3.61 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 127.304 2.242 . . . . 0.0 114.326 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -126.14 -0.37 7.12 Favored 'General case' 0 CA--C 1.577 1.982 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -94.52 -89.54 0.23 Allowed 'General case' 0 C--N 1.379 1.857 0 CA-C-N 112.276 -2.238 . . . . 0.0 116.393 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -114.18 -23.79 9.29 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 125.14 1.376 . . . . 0.0 109.735 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.99 -13.17 56.48 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 112.211 -2.268 . . . . 0.0 114.713 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -53.55 -40.05 65.23 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -171.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 mp -69.51 -52.96 13.51 Favored Pre-proline 0 CA--C 1.593 2.605 0 CA-C-O 116.525 -1.703 . . . . 0.0 112.545 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.3 2.05 8.41 Favored 'Trans proline' 1 C--N 1.451 5.973 0 C-N-CA 123.161 2.574 . . . . 0.0 115.106 173.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -164.7 92.21 0.11 Allowed Glycine 0 C--N 1.361 1.953 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 175.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -163.6 -47.6 0.02 OUTLIER Glycine 0 C--N 1.344 0.978 0 C-N-CA 125.058 1.314 . . . . 0.0 110.132 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -78.67 -22.33 46.91 Favored 'General case' 0 N--CA 1.504 2.241 0 C-N-CA 124.815 1.246 . . . . 0.0 112.1 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 79.7 mt -70.78 -32.91 70.18 Favored 'General case' 0 N--CA 1.509 2.496 0 C-N-CA 125.066 1.346 . . . . 0.0 111.069 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -69.97 -31.69 69.53 Favored 'General case' 0 C--N 1.376 1.755 0 C-N-CA 125.507 1.523 . . . . 0.0 110.0 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.07 89.1 Favored 'General case' 0 C--N 1.393 2.474 0 C-N-CA 125.568 1.547 . . . . 0.0 110.904 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -71.37 -50.02 36.39 Favored 'General case' 0 C--N 1.384 2.071 0 C-N-CA 124.463 1.105 . . . . 0.0 111.045 176.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.68 -60.94 3.04 Favored 'General case' 0 CA--C 1.593 2.621 0 O-C-N 124.518 1.136 . . . . 0.0 113.201 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -86.2 -52.03 5.91 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -175.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.21 -35.82 74.15 Favored 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -81.79 -22.09 37.35 Favored 'General case' 0 C--N 1.385 2.131 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -71.97 -25.84 62.02 Favored 'General case' 0 C--N 1.395 2.567 0 CA-C-N 118.196 0.453 . . . . 0.0 110.826 172.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -70.12 -42.46 72.61 Favored 'General case' 0 N--CA 1.512 2.65 0 C-N-CA 125.007 1.323 . . . . 0.0 112.139 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -68.04 -35.7 78.7 Favored 'General case' 0 C--N 1.391 2.382 0 C-N-CA 124.776 1.231 . . . . 0.0 112.73 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.34 -32.82 72.15 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 124.962 1.305 . . . . 0.0 111.692 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -64.49 -42.0 96.13 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 125.74 1.616 . . . . 0.0 112.781 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -72.58 -40.92 66.23 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.02 -33.18 72.88 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 118.039 0.381 . . . . 0.0 110.135 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.25 -32.23 68.49 Favored 'General case' 0 C--N 1.379 1.872 0 C-N-CA 125.101 1.36 . . . . 0.0 112.664 175.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.68 -37.24 79.42 Favored 'General case' 0 C--N 1.403 2.91 0 C-N-CA 125.123 1.369 . . . . 0.0 111.654 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.4 mtt -65.03 -38.34 90.57 Favored 'General case' 0 C--N 1.393 2.482 0 C-N-CA 125.399 1.48 . . . . 0.0 110.477 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -69.25 -38.98 78.73 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 124.998 1.319 . . . . 0.0 110.673 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -74.15 -46.6 41.32 Favored 'General case' 0 N--CA 1.51 2.556 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.17 -40.78 77.94 Favored 'General case' 0 N--CA 1.514 2.728 0 C-N-CA 124.548 1.139 . . . . 0.0 113.341 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.71 -34.72 76.13 Favored 'General case' 0 C--N 1.383 2.056 0 C-N-CA 124.265 1.026 . . . . 0.0 111.713 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 27.2 tt0 -70.9 -29.93 66.13 Favored 'General case' 0 C--N 1.384 2.089 0 CA-C-O 117.772 -1.109 . . . . 0.0 113.264 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -71.02 -49.43 45.14 Favored 'General case' 0 N--CA 1.51 2.574 0 CA-C-N 119.361 0.982 . . . . 0.0 113.592 -177.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -75.63 -32.98 60.45 Favored 'General case' 0 C--N 1.389 2.304 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.419 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.558 ' HB3' HD22 ' A' ' 141' ' ' LEU . 64.7 m-85 -88.14 -12.33 44.34 Favored 'General case' 0 CA--C 1.576 1.976 0 C-N-CA 124.318 1.047 . . . . 0.0 112.678 178.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -62.67 -33.76 75.71 Favored 'General case' 0 N--CA 1.522 3.171 0 C-N-CA 125.639 1.575 . . . . 0.0 110.504 174.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.25 -16.34 64.23 Favored 'General case' 0 N--CA 1.503 2.177 0 C-N-CA 125.618 1.567 . . . . 0.0 114.03 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -97.16 -28.98 13.86 Favored 'General case' 0 C--N 1.391 2.37 0 C-N-CA 124.401 1.08 . . . . 0.0 110.255 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 51.08 28.17 3.79 Favored 'General case' 0 N--CA 1.527 3.387 0 C-N-CA 128.392 2.677 . . . . 0.0 116.622 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.38 146.48 37.86 Favored Pre-proline 0 CA--C 1.584 2.274 0 CA-C-O 118.592 -0.718 . . . . 0.0 112.267 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -59.14 -11.29 12.41 Favored 'Trans proline' 1 C--N 1.427 4.68 0 C-N-CA 124.448 3.432 . . . . 0.0 118.081 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -70.29 -31.2 68.44 Favored 'General case' 0 N--CA 1.53 3.54 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -174.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 133' ' ' TYR . 0.0 OUTLIER -77.65 -29.96 51.91 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 126.364 1.866 . . . . 0.0 110.347 -179.297 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.12 -33.12 71.43 Favored 'General case' 0 C--N 1.391 2.402 0 C-N-CA 124.933 1.293 . . . . 0.0 109.813 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -71.49 -34.11 69.85 Favored 'General case' 0 CA--C 1.58 2.108 0 C-N-CA 123.733 0.813 . . . . 0.0 110.802 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.49 -43.79 65.9 Favored 'General case' 0 N--CA 1.516 2.871 0 C-N-CA 125.386 1.474 . . . . 0.0 114.72 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 141' ' ' LEU . 3.7 mt -69.14 -41.79 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.263 0 C-N-CA 125.238 1.415 . . . . 0.0 109.872 178.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.8 m -61.53 -39.85 92.54 Favored 'General case' 0 CA--C 1.587 2.375 0 C-N-CA 125.854 1.662 . . . . 0.0 111.405 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.18 94.69 Favored 'General case' 0 N--CA 1.51 2.573 0 C-N-CA 124.892 1.277 . . . . 0.0 112.693 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.4 mt -73.47 -28.6 62.02 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 125.049 1.34 . . . . 0.0 111.485 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -35.45 79.12 Favored 'General case' 0 C--N 1.389 2.314 0 C-N-CA 126.076 1.75 . . . . 0.0 112.548 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -75.78 -35.59 60.05 Favored 'General case' 0 C--N 1.387 2.205 0 C-N-CA 125.441 1.497 . . . . 0.0 110.369 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -71.12 -35.03 71.62 Favored 'General case' 0 C--N 1.386 2.177 0 C-N-CA 125.188 1.395 . . . . 0.0 112.713 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.16 -40.38 97.4 Favored 'General case' 0 C--N 1.381 1.964 0 C-N-CA 124.425 1.09 . . . . 0.0 109.962 174.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.73 -40.93 39.52 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 178.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -71.09 -37.59 72.41 Favored 'General case' 0 N--CA 1.511 2.591 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 98.5 m -73.29 -39.18 65.54 Favored 'General case' 0 C--N 1.375 1.709 0 C-N-CA 123.483 0.713 . . . . 0.0 112.443 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.4 HH22 HD22 ' A' ' 50' ' ' LEU . 1.6 tmt_? -70.74 -39.75 73.15 Favored 'General case' 0 CA--C 1.581 2.152 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.7 m -71.67 -44.41 64.32 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 124.777 1.231 . . . . 0.0 112.863 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.41 87.39 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 125.162 1.385 . . . . 0.0 113.459 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 21.9 mt -71.8 -38.62 66.21 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.115 0 C-N-CA 125.268 1.427 . . . . 0.0 111.319 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.6 95.02 Favored 'General case' 0 C--N 1.39 2.335 0 C-N-CA 124.24 1.016 . . . . 0.0 113.408 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.3 -40.24 89.88 Favored 'General case' 0 N--CA 1.512 2.642 0 C-N-CA 125.103 1.361 . . . . 0.0 112.692 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.6 p -71.13 -31.19 67.44 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 124.184 0.994 . . . . 0.0 112.225 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -72.99 -31.37 64.47 Favored 'General case' 0 C--N 1.383 2.048 0 C-N-CA 124.828 1.251 . . . . 0.0 112.197 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.84 -39.18 83.89 Favored 'General case' 0 N--CA 1.513 2.696 0 C-N-CA 124.987 1.315 . . . . 0.0 112.946 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.39 -33.85 71.88 Favored 'General case' 0 C--N 1.377 1.776 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.577 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.1 mt -70.75 -29.29 65.5 Favored 'General case' 0 N--CA 1.505 2.288 0 C-N-CA 125.217 1.407 . . . . 0.0 111.686 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.64 -27.17 61.96 Favored 'General case' 0 C--N 1.38 1.929 0 C-N-CA 125.21 1.404 . . . . 0.0 112.701 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.83 -25.08 30.64 Favored 'General case' 0 C--N 1.38 1.934 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -177.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.36 23.33 5.12 Favored 'Isoleucine or valine' 0 C--N 1.378 1.834 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -176.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 67.0 m -57.5 -40.96 79.83 Favored 'General case' 0 C--N 1.377 1.776 0 CA-C-N 113.608 -1.633 . . . . 0.0 108.735 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 . . . . . 0 N--CA 1.494 1.768 0 CA-C-N 112.676 -2.056 . . . . 0.0 111.478 179.334 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.161 0.505 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -114.51 132.44 56.3 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 124.403 1.081 . . . . 0.0 110.872 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.56 125.75 28.15 Favored Pre-proline 0 CA--C 1.575 1.923 0 C-N-CA 123.429 0.691 . . . . 0.0 112.285 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -60.04 -27.39 84.79 Favored 'Trans proline' 1 C--N 1.432 4.953 0 C-N-CA 124.165 3.243 . . . . 0.0 117.215 177.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.64 -35.57 65.31 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 124.147 0.979 . . . . 0.0 112.222 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.36 -35.04 58.9 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 125.748 1.619 . . . . 0.0 112.435 178.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.38 -31.37 65.51 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 123.892 0.877 . . . . 0.0 110.048 177.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -66.09 -38.29 87.9 Favored 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 124.956 1.303 . . . . 0.0 111.829 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.4 m -71.99 -40.9 68.23 Favored 'General case' 0 C--N 1.382 1.98 0 C-N-CA 124.472 1.109 . . . . 0.0 110.634 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mt -58.79 -43.31 90.46 Favored 'General case' 0 C--N 1.386 2.187 0 O-C-N 124.372 1.045 . . . . 0.0 112.412 173.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -66.0 -39.58 90.41 Favored 'General case' 0 C--N 1.399 2.741 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -69.97 -35.76 74.68 Favored 'General case' 0 C--N 1.38 1.917 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.567 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.31 -32.73 73.52 Favored 'General case' 0 N--CA 1.506 2.371 0 C-N-CA 124.375 1.07 . . . . 0.0 111.413 174.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.3 t -73.86 -44.81 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.379 0 C-N-CA 125.566 1.546 . . . . 0.0 110.691 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' HB1' HD21 ' A' ' 86' ' ' LEU . . . -69.19 -30.04 68.15 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 123.485 0.714 . . . . 0.0 111.337 175.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.86 93.3 Favored 'General case' 0 N--CA 1.514 2.747 0 C-N-CA 126.048 1.739 . . . . 0.0 110.446 172.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -36.15 72.07 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 125.23 1.412 . . . . 0.0 110.511 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -59.77 -43.45 94.34 Favored 'General case' 0 N--CA 1.501 2.125 0 C-N-CA 127.354 2.262 . . . . 0.0 111.948 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.95 -15.0 59.34 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 124.87 1.268 . . . . 0.0 114.31 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.76 -17.27 19.48 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 124.777 1.231 . . . . 0.0 109.228 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.55 14.91 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 127.162 2.185 . . . . 0.0 110.855 176.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.4 -77.44 0.32 Allowed Glycine 0 C--N 1.363 2.075 0 CA-C-O 116.628 -2.207 . . . . 0.0 114.458 -172.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -68.51 -2.57 9.45 Favored 'Trans proline' 0 C--N 1.411 3.859 0 CA-C-N 122.426 3.113 . . . . 0.0 115.739 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -9.32 51.55 Favored 'General case' 0 N--CA 1.507 2.386 0 C-N-CA 126.361 1.864 . . . . 0.0 112.046 178.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.51 90.03 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.2 -43.94 5.32 Favored 'General case' 0 C--N 1.38 1.924 0 CA-C-O 121.767 0.794 . . . . 0.0 110.928 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -94.21 166.99 11.84 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 126.839 2.056 . . . . 0.0 114.32 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 59.95 45.92 11.65 Favored 'General case' 0 N--CA 1.536 3.83 0 C-N-CA 127.519 2.328 . . . . 0.0 114.343 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 60.36 -92.84 0.04 OUTLIER 'General case' 0 N--CA 1.519 3.008 0 C-N-CA 127.291 2.237 . . . . 0.0 112.086 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -151.45 156.65 41.05 Favored 'General case' 0 C--N 1.376 1.745 0 C-N-CA 124.294 1.038 . . . . 0.0 110.203 178.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.88 137.48 20.16 Favored Pre-proline 0 C--N 1.389 2.308 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.802 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.22 -8.75 24.12 Favored 'Trans proline' 1 C--N 1.427 4.666 0 C-N-CA 123.202 2.601 . . . . 0.0 117.153 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -108.52 19.67 19.49 Favored 'General case' 0 CA--C 1.579 2.092 0 CA-C-O 122.067 0.937 . . . . 0.0 112.52 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.24 109.68 10.12 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.571 177.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.05 88.75 4.05 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 118.036 -1.466 . . . . 0.0 109.554 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -83.45 6.27 20.78 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-N 113.552 -1.658 . . . . 0.0 114.235 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -79.7 -27.17 40.73 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.034 0.933 . . . . 0.0 110.741 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mt -95.28 -5.44 43.63 Favored 'General case' 0 C--N 1.389 2.292 0 O-C-N 123.897 0.748 . . . . 0.0 112.834 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.13 152.52 35.47 Favored 'General case' 0 C--N 1.383 2.032 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.41 105.77 9.69 Favored 'General case' 0 C--N 1.386 2.156 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.6 173.85 0.67 Allowed 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 113.143 -1.844 . . . . 0.0 109.768 -178.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -87.96 -41.17 13.33 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.73 80.05 0.1 OUTLIER Glycine 0 N--CA 1.506 3.305 0 N-CA-C 119.632 2.613 . . . . 0.0 119.632 170.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.89 20.69 2.85 Favored 'General case' 0 C--N 1.371 1.507 0 CA-C-N 119.598 1.699 . . . . 0.0 106.781 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.561 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 72.6 ttt180 -153.35 147.85 26.07 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.862 1.665 . . . . 0.0 110.519 -176.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -23.28 62.56 Favored 'General case' 0 N--CA 1.524 3.265 0 C-N-CA 123.843 0.857 . . . . 0.0 110.69 173.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.561 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -60.58 -40.57 98.03 Favored Glycine 0 C--N 1.38 2.98 0 C-N-CA 124.832 1.206 . . . . 0.0 115.933 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.65 -25.86 57.2 Favored 'General case' 0 N--CA 1.514 2.759 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -83.61 -30.03 27.26 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.083 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -74.45 -40.21 62.06 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 125.163 1.385 . . . . 0.0 112.547 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -30.85 70.2 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.309 1.444 . . . . 0.0 111.24 176.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -77.54 -30.05 52.59 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 123.413 0.685 . . . . 0.0 110.064 177.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.27 -39.43 68.38 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 114.014 -1.448 . . . . 0.0 111.777 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -65.75 -39.86 91.52 Favored 'General case' 0 N--CA 1.507 2.404 0 C-N-CA 125.064 1.346 . . . . 0.0 110.871 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.54 -26.06 61.61 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 126.884 2.074 . . . . 0.0 113.445 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.9 m -78.47 -31.59 47.96 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 123.558 0.743 . . . . 0.0 110.414 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.0 tp -71.47 -41.14 69.72 Favored 'General case' 0 C--N 1.384 2.089 0 C-N-CA 125.126 1.37 . . . . 0.0 110.447 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.9 p -71.79 -31.07 66.22 Favored 'General case' 0 N--CA 1.504 2.256 0 C-N-CA 125.632 1.573 . . . . 0.0 113.487 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -75.97 -37.03 59.03 Favored 'General case' 0 N--CA 1.51 2.534 0 C-N-CA 123.751 0.82 . . . . 0.0 113.107 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.87 -29.98 66.23 Favored 'General case' 0 C--N 1.387 2.216 0 C-N-CA 124.567 1.147 . . . . 0.0 111.343 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.5 -35.3 80.02 Favored 'General case' 0 N--CA 1.506 2.37 0 C-N-CA 126.7 2.0 . . . . 0.0 111.752 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.63 -40.07 92.14 Favored 'General case' 0 C--N 1.393 2.457 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.202 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.57 -27.44 68.96 Favored 'General case' 0 C--N 1.397 2.668 0 C-N-CA 125.039 1.335 . . . . 0.0 113.586 173.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.21 -39.22 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.785 0 C-N-CA 125.413 1.485 . . . . 0.0 108.913 175.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -70.66 -10.41 59.31 Favored 'General case' 0 N--CA 1.504 2.253 0 C-N-CA 125.58 1.552 . . . . 0.0 112.146 174.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -92.73 -8.85 42.66 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 125.485 1.514 . . . . 0.0 111.829 176.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.21 35.35 18.12 Favored Glycine 0 C--N 1.376 2.788 0 N-CA-C 117.511 1.764 . . . . 0.0 117.511 178.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.0 96.04 6.76 Favored 'General case' 0 C--N 1.371 1.502 0 CA-C-O 122.244 1.021 . . . . 0.0 108.532 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.39 -22.47 61.12 Favored 'General case' 0 N--CA 1.505 2.3 0 CA-C-N 113.201 -1.818 . . . . 0.0 112.303 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.3 m -70.4 -36.4 74.05 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 125.32 1.448 . . . . 0.0 109.776 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.84 -20.68 59.65 Favored 'General case' 0 C--N 1.392 2.432 0 C-N-CA 124.01 0.924 . . . . 0.0 111.655 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.7 t -75.06 -51.15 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 126.215 1.806 . . . . 0.0 109.794 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.67 80.77 Favored 'General case' 0 C--N 1.38 1.901 0 C-N-CA 126.833 2.053 . . . . 0.0 113.004 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -42.25 96.69 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 125.991 1.717 . . . . 0.0 110.633 174.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -37.65 64.31 Favored 'General case' 0 CA--C 1.571 1.76 0 O-C-N 124.504 1.128 . . . . 0.0 110.394 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.05 98.38 Favored 'General case' 0 N--CA 1.517 2.922 0 C-N-CA 124.107 0.963 . . . . 0.0 112.679 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.14 -38.26 69.27 Favored 'General case' 0 N--CA 1.514 2.756 0 C-N-CA 125.658 1.583 . . . . 0.0 111.713 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.29 -29.82 64.23 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 125.373 1.469 . . . . 0.0 111.367 175.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -70.87 -47.99 56.23 Favored 'General case' 0 C--N 1.37 1.482 0 CA-C-O 117.738 -1.125 . . . . 0.0 112.921 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' ' 83' ' ' ILE . . . -69.48 -35.74 75.88 Favored 'General case' 0 C--N 1.384 2.082 0 C-N-CA 124.492 1.117 . . . . 0.0 112.876 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.66 86.8 Favored 'General case' 0 C--N 1.387 2.199 0 C-N-CA 125.151 1.38 . . . . 0.0 110.836 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -74.48 -27.58 60.64 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 124.154 0.982 . . . . 0.0 112.646 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -63.2 -42.79 97.78 Favored 'Isoleucine or valine' 0 C--N 1.39 2.348 0 CA-C-N 118.516 0.598 . . . . 0.0 110.567 177.347 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 3.2 mt-10 -68.34 -44.35 75.49 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 125.648 1.579 . . . . 0.0 111.998 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.3 54.49 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -176.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.454 HD21 ' HB1' ' A' ' 15' ' ' ALA . 65.2 mt -86.16 -45.27 11.5 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 -175.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 36.9 mt-30 -65.72 -39.03 90.75 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 123.774 0.671 . . . . 0.0 111.803 178.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.6 mtt180 -78.16 -39.0 42.3 Favored 'General case' 0 C--N 1.389 2.295 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.79 -33.07 68.28 Favored 'General case' 0 N--CA 1.517 2.92 0 CA-C-N 119.829 1.195 . . . . 0.0 110.463 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.16 -30.19 62.14 Favored 'General case' 0 C--N 1.386 2.16 0 C-N-CA 124.179 0.992 . . . . 0.0 110.354 175.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.48 -34.68 76.35 Favored 'General case' 0 C--N 1.409 3.161 0 C-N-CA 124.607 1.163 . . . . 0.0 113.79 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.0 p -84.18 -21.47 31.28 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.241 1.017 . . . . 0.0 110.484 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.98 -28.2 60.46 Favored 'General case' 0 C--N 1.389 2.299 0 CA-C-N 114.293 -1.321 . . . . 0.0 112.24 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.93 -8.23 58.69 Favored 'General case' 0 C--N 1.395 2.584 0 C-N-CA 124.871 1.268 . . . . 0.0 111.934 177.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mt -89.98 -30.45 17.79 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 124.948 1.299 . . . . 0.0 114.467 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.26 -10.62 58.44 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -115.67 39.53 2.98 Favored 'General case' 0 C--N 1.38 1.9 0 C-N-CA 127.783 2.433 . . . . 0.0 113.86 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -126.05 1.3 7.24 Favored 'General case' 0 CA--C 1.578 2.056 0 N-CA-C 105.267 -2.123 . . . . 0.0 105.267 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -93.79 -89.65 0.21 Allowed 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 112.226 -2.261 . . . . 0.0 116.243 -176.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -113.72 -24.55 9.11 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 125.202 1.401 . . . . 0.0 109.468 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.98 -11.87 57.77 Favored 'General case' 0 C--N 1.369 1.432 0 CA-C-N 111.917 -2.401 . . . . 0.0 114.216 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -50.9 -41.16 58.24 Favored 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 -172.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.85 -53.29 27.85 Favored Pre-proline 0 CA--C 1.595 2.699 0 CA-C-O 116.587 -1.673 . . . . 0.0 112.81 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.07 11.13 2.41 Favored 'Trans proline' 1 C--N 1.451 5.971 0 C-N-CA 123.554 2.836 . . . . 0.0 114.37 173.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -121.61 6.35 10.57 Favored Glycine 0 C--N 1.364 2.112 0 C-N-CA 123.59 0.614 . . . . 0.0 112.673 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -99.55 -11.67 43.69 Favored Glycine 0 C--N 1.369 2.401 0 C-N-CA 123.515 0.579 . . . . 0.0 113.988 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -93.25 -44.56 8.26 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 124.825 1.25 . . . . 0.0 111.134 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.31 -40.69 67.3 Favored 'General case' 0 C--N 1.379 1.89 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -69.29 -33.43 73.18 Favored 'General case' 0 C--N 1.383 2.058 0 C-N-CA 124.363 1.065 . . . . 0.0 111.543 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.2 -36.71 83.77 Favored 'General case' 0 C--N 1.386 2.177 0 C-N-CA 125.485 1.514 . . . . 0.0 110.862 173.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.566 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 1.8 mpt_? -74.83 -49.61 20.04 Favored 'General case' 0 C--N 1.373 1.629 0 C-N-CA 123.852 0.861 . . . . 0.0 111.424 176.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.76 -60.86 2.76 Favored 'General case' 0 CA--C 1.6 2.901 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.16 -42.57 23.19 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 116.917 2.192 . . . . 0.0 116.917 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.51 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 39.6 mt-10 -72.5 -31.68 65.56 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.566 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 2.4 m-85 -68.31 -38.13 81.29 Favored 'General case' 0 C--N 1.39 2.351 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.057 176.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.84 -38.02 82.65 Favored 'General case' 0 C--N 1.391 2.389 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.44 -42.43 78.85 Favored 'General case' 0 N--CA 1.52 3.061 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -72.01 -34.12 68.6 Favored 'General case' 0 N--CA 1.504 2.268 0 C-N-CA 124.106 0.962 . . . . 0.0 112.556 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 34.2 mt-10 -76.7 -18.92 58.24 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 124.392 1.077 . . . . 0.0 111.911 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -70.25 -50.69 37.18 Favored 'General case' 0 C--N 1.389 2.297 0 C-N-CA 125.256 1.422 . . . . 0.0 112.78 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -72.26 -38.5 68.84 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 152' ' ' LEU . 14.9 mt -60.5 -33.39 72.55 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 123.537 0.523 . . . . 0.0 110.523 174.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -71.23 -33.5 69.92 Favored 'General case' 0 C--N 1.381 1.966 0 C-N-CA 124.684 1.194 . . . . 0.0 111.932 176.172 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.92 -39.47 90.59 Favored 'General case' 0 C--N 1.41 3.196 0 C-N-CA 125.657 1.583 . . . . 0.0 112.369 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.7 mtt -63.46 -40.15 96.37 Favored 'General case' 0 C--N 1.392 2.429 0 O-C-N 124.819 1.325 . . . . 0.0 110.496 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -68.1 -38.56 82.45 Favored 'General case' 0 C--N 1.385 2.119 0 C-N-CA 124.87 1.268 . . . . 0.0 110.365 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -63.43 -37.74 88.46 Favored 'General case' 0 C--N 1.402 2.872 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.52 -39.89 85.08 Favored 'General case' 0 N--CA 1.506 2.345 0 C-N-CA 124.324 1.049 . . . . 0.0 111.054 176.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -74.22 -26.05 60.03 Favored 'General case' 0 C--N 1.383 2.058 0 C-N-CA 124.761 1.224 . . . . 0.0 112.645 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -69.18 -37.17 78.03 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 125.54 1.536 . . . . 0.0 111.539 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -66.58 -38.52 87.22 Favored 'General case' 0 C--N 1.386 2.175 0 C-N-CA 124.947 1.299 . . . . 0.0 110.669 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.71 -35.88 75.42 Favored 'General case' 0 C--N 1.389 2.285 0 C-N-CA 124.958 1.303 . . . . 0.0 111.791 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -68.56 -36.77 79.22 Favored 'General case' 0 C--N 1.392 2.416 0 C-N-CA 125.277 1.431 . . . . 0.0 111.854 177.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.46 90.65 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 125.221 1.408 . . . . 0.0 113.528 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -90.58 -38.88 12.87 Favored 'General case' 0 C--N 1.386 2.173 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -106.93 -30.24 8.98 Favored 'General case' 0 C--N 1.393 2.469 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -174.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 55.8 26.14 9.23 Favored 'General case' 0 N--CA 1.53 3.53 0 C-N-CA 127.53 2.332 . . . . 0.0 116.472 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.82 141.25 68.11 Favored Pre-proline 0 N--CA 1.5 2.063 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.44 -13.87 31.68 Favored 'Trans proline' 1 C--N 1.432 4.933 0 C-N-CA 124.073 3.182 . . . . 0.0 116.728 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -69.03 -37.66 78.75 Favored 'General case' 0 N--CA 1.527 3.408 0 C-N-CA 124.381 1.072 . . . . 0.0 113.321 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.92 -29.51 50.09 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 126.607 1.963 . . . . 0.0 110.069 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.24 -36.77 77.51 Favored 'General case' 0 C--N 1.379 1.878 0 C-N-CA 126.757 2.023 . . . . 0.0 110.233 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.24 -34.12 72.47 Favored 'General case' 0 C--N 1.379 1.886 0 C-N-CA 124.139 0.976 . . . . 0.0 110.601 173.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.25 -42.09 66.03 Favored 'General case' 0 N--CA 1.512 2.634 0 C-N-CA 125.226 1.41 . . . . 0.0 114.424 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.9 mt -66.63 -43.46 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.334 0 C-N-CA 125.1 1.36 . . . . 0.0 108.813 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.4 m -62.64 -41.55 99.09 Favored 'General case' 0 CA--C 1.59 2.486 0 C-N-CA 126.154 1.781 . . . . 0.0 111.432 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.73 95.37 Favored 'General case' 0 N--CA 1.513 2.693 0 C-N-CA 124.677 1.191 . . . . 0.0 112.467 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.26 -26.44 58.81 Favored 'General case' 0 C--N 1.381 1.96 0 C-N-CA 124.705 1.202 . . . . 0.0 111.886 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -37.86 89.04 Favored 'General case' 0 C--N 1.391 2.398 0 C-N-CA 126.249 1.82 . . . . 0.0 112.286 177.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -75.41 -35.09 61.07 Favored 'General case' 0 C--N 1.39 2.367 0 C-N-CA 124.897 1.279 . . . . 0.0 110.149 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -70.68 -34.21 71.75 Favored 'General case' 0 C--N 1.388 2.24 0 C-N-CA 125.406 1.482 . . . . 0.0 112.592 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -63.94 -39.35 93.96 Favored 'General case' 0 C--N 1.379 1.866 0 C-N-CA 124.711 1.204 . . . . 0.0 109.851 175.106 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.7 p -76.29 -38.91 55.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.156 0.91 . . . . 0.0 112.658 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -71.28 -35.19 71.25 Favored 'General case' 0 N--CA 1.511 2.578 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 83.4 m -72.08 -39.38 69.02 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 123.739 0.816 . . . . 0.0 112.41 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -29.67 69.91 Favored 'General case' 0 N--CA 1.51 2.527 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.64 -42.31 35.27 Favored 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 123.527 0.731 . . . . 0.0 112.287 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.15 -36.88 75.04 Favored 'General case' 0 C--N 1.379 1.85 0 C-N-CA 125.365 1.466 . . . . 0.0 113.075 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 33.8 mt -70.11 -40.13 77.94 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.85 0 C-N-CA 125.448 1.499 . . . . 0.0 110.6 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.84 96.97 Favored 'General case' 0 C--N 1.393 2.479 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.53 -40.53 76.85 Favored 'General case' 0 N--CA 1.514 2.762 0 C-N-CA 124.903 1.281 . . . . 0.0 114.044 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.2 p -70.93 -36.16 72.52 Favored 'General case' 0 N--CA 1.51 2.544 0 C-N-CA 124.303 1.041 . . . . 0.0 112.499 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -72.21 -32.6 66.92 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 124.536 1.134 . . . . 0.0 111.964 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -66.35 -37.32 85.06 Favored 'General case' 0 N--CA 1.51 2.538 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.419 ' O ' HG12 ' A' ' 169' ' ' ILE . . . -70.58 -36.07 73.38 Favored 'General case' 0 C--N 1.372 1.545 0 O-C-N 124.57 1.169 . . . . 0.0 110.581 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.3 mt -74.7 -31.74 61.96 Favored 'General case' 0 C--N 1.39 2.366 0 C-N-CA 126.085 1.754 . . . . 0.0 112.651 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -72.41 -29.63 63.9 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 125.302 1.441 . . . . 0.0 113.169 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.08 -13.55 49.99 Favored 'General case' 0 C--N 1.382 2.008 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -177.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 165' ' ' ALA . 1.1 pt -100.73 -10.56 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 C-N-CA 123.492 0.717 . . . . 0.0 112.316 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.8 t -100.16 6.77 44.85 Favored 'General case' 0 CA--C 1.58 2.115 0 C-N-CA 125.283 1.433 . . . . 0.0 111.067 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 . . . . . 0 N--CA 1.495 1.819 0 C-N-CA 123.973 0.909 . . . . 0.0 112.052 -176.066 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtt . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 120.99 0.424 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -115.49 -54.85 2.5 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.444 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.88 119.88 10.85 Favored Pre-proline 0 C--N 1.379 1.878 0 C-N-CA 123.656 0.782 . . . . 0.0 111.77 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.82 -23.4 76.59 Favored 'Trans proline' 1 C--N 1.433 4.995 0 C-N-CA 124.266 3.311 . . . . 0.0 117.528 177.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mt -81.48 -34.11 31.54 Favored 'General case' 0 N--CA 1.507 2.41 0 CA-C-N 119.001 0.818 . . . . 0.0 111.911 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.5 -36.57 52.47 Favored 'General case' 0 C--N 1.374 1.665 0 C-N-CA 125.356 1.462 . . . . 0.0 112.555 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -29.8 65.47 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 124.009 0.924 . . . . 0.0 110.309 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -67.13 -37.98 84.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 124.517 1.136 . . . . 0.0 111.545 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.4 m -71.53 -41.19 69.48 Favored 'General case' 0 C--N 1.387 2.224 0 C-N-CA 124.259 1.024 . . . . 0.0 110.679 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.91 -43.86 86.44 Favored 'General case' 0 C--N 1.389 2.31 0 O-C-N 124.388 1.055 . . . . 0.0 111.703 172.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -65.12 -41.74 94.58 Favored 'General case' 0 C--N 1.396 2.63 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 m -67.91 -39.67 83.52 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.631 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.25 -32.55 72.36 Favored 'General case' 0 N--CA 1.504 2.243 0 C-N-CA 124.851 1.26 . . . . 0.0 111.89 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.54 -46.61 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.283 0 C-N-CA 125.162 1.385 . . . . 0.0 111.168 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 -32.34 72.28 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 123.835 0.854 . . . . 0.0 111.531 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.45 92.22 Favored 'General case' 0 N--CA 1.51 2.555 0 C-N-CA 125.647 1.579 . . . . 0.0 111.483 172.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.39 -37.21 66.05 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 124.1 0.96 . . . . 0.0 111.104 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -60.95 -39.02 87.91 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 126.906 2.082 . . . . 0.0 112.09 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.01 -32.35 70.48 Favored 'General case' 0 N--CA 1.509 2.482 0 C-N-CA 123.487 0.715 . . . . 0.0 112.282 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mp -80.24 -22.17 42.04 Favored 'General case' 0 N--CA 1.504 2.259 0 C-N-CA 125.982 1.713 . . . . 0.0 112.831 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.1 mt -109.29 15.3 8.12 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.66 0 C-N-CA 127.514 2.326 . . . . 0.0 108.758 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.87 -75.44 0.67 Allowed Glycine 0 N--CA 1.502 3.083 0 CA-C-O 117.935 -1.481 . . . . 0.0 115.718 -174.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.33 -7.8 15.02 Favored 'Trans proline' 0 C--N 1.412 3.917 0 C-N-CA 123.687 2.925 . . . . 0.0 117.405 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.21 -61.95 1.62 Allowed 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 126.303 1.841 . . . . 0.0 113.043 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.52 -10.29 59.77 Favored 'General case' 0 N--CA 1.508 2.444 0 CA-C-N 120.051 1.296 . . . . 0.0 113.797 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.35 -4.2 59.13 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 125.074 1.35 . . . . 0.0 111.989 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -103.82 -103.91 0.3 Allowed 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 124.662 1.185 . . . . 0.0 111.476 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -134.31 -41.26 0.8 Allowed 'General case' 0 N--CA 1.51 2.552 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -95.93 146.29 24.71 Favored 'General case' 0 N--CA 1.506 2.346 0 C-N-CA 124.342 1.057 . . . . 0.0 112.993 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.35 157.93 19.15 Favored 'General case' 0 CA--C 1.576 1.947 0 C-N-CA 123.504 0.721 . . . . 0.0 112.86 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 t -97.77 130.98 27.72 Favored Pre-proline 0 C--N 1.39 2.344 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -177.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -66.07 -13.14 38.5 Favored 'Trans proline' 1 C--N 1.433 5.004 0 C-N-CA 124.308 3.338 . . . . 0.0 115.942 176.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -97.73 7.29 46.67 Favored 'General case' 0 CA--C 1.58 2.105 0 C-N-CA 125.382 1.473 . . . . 0.0 113.538 -177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -66.37 119.03 10.89 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.27 91.58 6.78 Favored 'General case' 0 C--N 1.368 1.373 0 CA-C-O 122.232 1.015 . . . . 0.0 109.249 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -80.68 -10.0 59.76 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 113.37 -1.741 . . . . 0.0 114.024 -175.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -80.69 -28.05 36.84 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 123.339 0.656 . . . . 0.0 111.291 -177.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mt -101.2 -4.33 27.39 Favored 'General case' 0 C--N 1.388 2.254 0 O-C-N 123.559 0.537 . . . . 0.0 112.305 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -118.83 153.4 34.56 Favored 'General case' 0 C--N 1.383 2.056 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.3 109.86 14.47 Favored 'General case' 0 C--N 1.382 2.006 0 N-CA-C 104.766 -2.309 . . . . 0.0 104.766 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.9 p -146.15 147.97 32.08 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.209 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -85.22 -34.91 21.91 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 114.183 -1.371 . . . . 0.0 110.181 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.67 87.88 2.01 Favored Glycine 0 C--N 1.381 3.054 0 CA-C-O 118.163 -1.354 . . . . 0.0 113.457 175.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -126.55 -75.42 0.58 Allowed 'General case' 0 C--N 1.372 1.555 0 N-CA-C 105.58 -2.008 . . . . 0.0 105.58 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -148.09 -167.98 2.95 Favored 'General case' 0 N--CA 1.509 2.491 0 CA-C-N 112.53 -2.123 . . . . 0.0 111.22 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -17.86 63.65 Favored 'General case' 0 C--N 1.413 3.354 0 C-N-CA 124.555 1.142 . . . . 0.0 109.838 173.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.72 -37.56 77.58 Favored Glycine 0 C--N 1.388 3.434 0 C-N-CA 125.585 1.565 . . . . 0.0 114.036 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.43 -22.49 59.11 Favored 'General case' 0 N--CA 1.524 3.236 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -83.34 -30.85 27.14 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.27 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -75.24 -36.89 61.25 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 125.181 1.393 . . . . 0.0 111.745 175.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -36.48 78.26 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.995 1.318 . . . . 0.0 111.625 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.27 -31.72 60.84 Favored 'General case' 0 C--N 1.381 1.953 0 C-N-CA 123.734 0.814 . . . . 0.0 111.502 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.41 -40.54 70.43 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-N 113.874 -1.512 . . . . 0.0 111.311 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -36.84 79.92 Favored 'General case' 0 CA--C 1.576 1.976 0 C-N-CA 124.612 1.165 . . . . 0.0 110.298 175.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.4 -25.34 62.3 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 125.758 1.623 . . . . 0.0 112.55 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.3 m -78.52 -30.99 47.38 Favored 'General case' 0 C--N 1.383 2.063 0 C-N-CA 124.038 0.935 . . . . 0.0 110.253 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -42.93 65.48 Favored 'General case' 0 C--N 1.387 2.22 0 C-N-CA 124.278 1.031 . . . . 0.0 110.805 176.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.2 p -70.04 -31.79 69.59 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 126.255 1.822 . . . . 0.0 113.214 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -76.63 -35.37 58.09 Favored 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 123.602 0.761 . . . . 0.0 112.281 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.4 -30.97 66.72 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 124.812 1.245 . . . . 0.0 111.495 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.23 -37.15 86.36 Favored 'General case' 0 N--CA 1.504 2.265 0 C-N-CA 126.668 1.987 . . . . 0.0 111.79 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.44 -38.76 88.12 Favored 'General case' 0 C--N 1.39 2.353 0 O-C-N 124.258 0.974 . . . . 0.0 111.206 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.3 -29.17 70.26 Favored 'General case' 0 C--N 1.392 2.416 0 C-N-CA 125.209 1.404 . . . . 0.0 113.4 173.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.32 -39.85 87.0 Favored 'Isoleucine or valine' 0 C--N 1.389 2.313 0 C-N-CA 125.038 1.335 . . . . 0.0 108.637 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -64.42 -24.29 67.58 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 126.568 1.947 . . . . 0.0 111.688 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -71.82 -39.79 69.57 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 171.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.49 34.04 1.99 Allowed Glycine 0 C--N 1.382 3.124 0 N-CA-C 116.192 1.237 . . . . 0.0 116.192 171.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.78 111.5 23.45 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-O 121.855 0.836 . . . . 0.0 110.184 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.59 -25.25 62.11 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 113.435 -1.711 . . . . 0.0 112.512 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.9 m -70.88 -37.04 73.01 Favored 'General case' 0 CA--C 1.573 1.843 0 C-N-CA 125.374 1.469 . . . . 0.0 110.711 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -75.09 -22.6 58.17 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 123.891 0.876 . . . . 0.0 112.017 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -75.83 -48.98 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 C-N-CA 126.692 1.997 . . . . 0.0 109.701 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.44 82.93 Favored 'General case' 0 C--N 1.383 2.042 0 C-N-CA 127.087 2.155 . . . . 0.0 112.571 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -45.86 91.47 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 125.254 1.422 . . . . 0.0 109.062 172.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.69 -40.01 94.64 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 125.034 1.459 . . . . 0.0 111.249 175.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.43 98.07 Favored 'General case' 0 N--CA 1.514 2.754 0 C-N-CA 124.861 1.264 . . . . 0.0 112.587 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -70.78 -36.1 72.88 Favored 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 126.184 1.794 . . . . 0.0 111.08 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -70.38 -30.12 66.95 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 125.623 1.569 . . . . 0.0 110.289 173.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -44.65 66.0 Favored 'General case' 0 CA--C 1.573 1.857 0 C-N-CA 124.986 1.314 . . . . 0.0 111.657 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.412 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -67.72 -40.3 84.24 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 125.016 1.326 . . . . 0.0 112.677 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.79 85.71 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 126.281 1.832 . . . . 0.0 112.149 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -73.78 -27.92 61.39 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 123.842 0.857 . . . . 0.0 112.901 177.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.554 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 33.5 mt -62.49 -46.38 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 123.469 0.481 . . . . 0.0 109.756 175.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.3 mt-10 -66.44 -44.67 82.22 Favored 'General case' 0 N--CA 1.502 2.159 0 C-N-CA 124.755 1.222 . . . . 0.0 112.37 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.38 -46.93 46.09 Favored 'General case' 0 C--N 1.377 1.771 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -176.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.1 mt -85.84 -42.09 14.45 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -174.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.554 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 22.1 mt-30 -66.63 -39.93 88.51 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 123.922 0.764 . . . . 0.0 111.624 178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 2.0 mtp180 -79.83 -41.3 26.68 Favored 'General case' 0 C--N 1.389 2.307 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -70.93 -34.7 71.75 Favored 'General case' 0 N--CA 1.515 2.775 0 CA-C-N 119.265 0.939 . . . . 0.0 111.274 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.66 -28.13 60.72 Favored 'General case' 0 CA--C 1.576 1.942 0 C-N-CA 123.665 0.786 . . . . 0.0 110.089 174.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.28 -37.2 74.79 Favored 'General case' 0 C--N 1.414 3.37 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -85.51 -23.33 27.78 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 124.38 1.072 . . . . 0.0 110.767 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.45 -29.74 59.75 Favored 'General case' 0 C--N 1.387 2.197 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.491 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.4 p -79.2 -8.53 59.09 Favored 'General case' 0 C--N 1.392 2.418 0 C-N-CA 124.99 1.316 . . . . 0.0 113.118 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.9 -35.24 16.62 Favored 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 124.87 1.268 . . . . 0.0 114.102 -179.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -81.91 -11.74 58.76 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -113.1 42.34 1.92 Allowed 'General case' 0 C--N 1.38 1.933 0 C-N-CA 128.352 2.661 . . . . 0.0 112.246 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -127.72 -21.18 3.79 Favored 'General case' 0 CA--C 1.581 2.158 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -88.48 -98.47 0.09 Allowed 'General case' 0 C--N 1.402 2.873 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -109.76 -21.5 12.36 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 124.679 1.192 . . . . 0.0 110.476 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.16 -10.28 58.72 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-N 112.799 -2.0 . . . . 0.0 113.274 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -51.55 -47.35 63.45 Favored 'General case' 0 N--CA 1.506 2.366 0 C-N-CA 128.206 2.602 . . . . 0.0 116.327 -172.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.6 mt -54.3 -43.85 97.98 Favored Pre-proline 0 N--CA 1.506 2.356 0 N-CA-C 121.514 3.894 . . . . 0.0 121.514 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.86 -35.77 92.82 Favored 'Trans proline' 1 C--N 1.451 5.922 0 CA-C-N 126.062 3.201 . . . . 0.0 115.759 -175.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -78.98 -77.46 0.89 Allowed Glycine 0 C--N 1.378 2.89 0 O-C-N 125.132 1.52 . . . . 0.0 114.836 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.44 -84.05 0.35 Allowed Glycine 0 C--N 1.37 2.439 0 O-C-N 124.047 0.498 . . . . 0.0 112.656 -176.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -115.16 8.03 15.5 Favored 'General case' 0 CA--C 1.571 1.765 0 C-N-CA 124.63 1.172 . . . . 0.0 112.26 177.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.4 mt -72.15 -37.11 69.48 Favored 'General case' 0 N--CA 1.517 2.905 0 C-N-CA 123.358 0.663 . . . . 0.0 111.083 176.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -70.81 -27.78 64.14 Favored 'General case' 0 C--N 1.384 2.096 0 C-N-CA 125.143 1.377 . . . . 0.0 109.45 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.98 -32.76 72.56 Favored 'General case' 0 C--N 1.391 2.406 0 C-N-CA 126.054 1.742 . . . . 0.0 110.97 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 6.6 mpt_? -73.43 -48.36 34.36 Favored 'General case' 0 C--N 1.393 2.493 0 C-N-CA 123.611 0.764 . . . . 0.0 109.257 176.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.14 -62.02 2.13 Favored 'General case' 0 CA--C 1.599 2.834 0 O-C-N 124.533 1.145 . . . . 0.0 113.255 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.34 -49.56 7.16 Favored 'General case' 0 C--N 1.383 2.04 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -175.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.92 -35.82 72.42 Favored 'General case' 0 N--CA 1.51 2.551 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.582 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 7.5 m-85 -70.97 -37.88 72.77 Favored 'General case' 0 C--N 1.392 2.431 0 CA-C-N 118.541 0.61 . . . . 0.0 111.89 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -67.92 -35.61 78.74 Favored 'General case' 0 C--N 1.397 2.634 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 176.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.11 -43.42 98.52 Favored 'General case' 0 N--CA 1.525 3.287 0 C-N-CA 124.904 1.281 . . . . 0.0 114.313 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -68.45 -35.81 78.11 Favored 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 124.381 1.072 . . . . 0.0 112.331 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -68.7 -35.68 77.48 Favored 'General case' 0 C--N 1.378 1.82 0 C-N-CA 124.856 1.262 . . . . 0.0 112.384 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -63.1 -41.81 99.47 Favored 'General case' 0 N--CA 1.507 2.392 0 C-N-CA 125.313 1.445 . . . . 0.0 114.389 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -73.24 -40.65 64.48 Favored 'General case' 0 N--CA 1.508 2.46 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.64 -33.5 71.6 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 123.422 0.451 . . . . 0.0 110.362 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.05 -33.83 70.65 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 125.289 1.436 . . . . 0.0 113.27 176.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.14 86.35 Favored 'General case' 0 C--N 1.399 2.754 0 C-N-CA 124.854 1.262 . . . . 0.0 111.667 -178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.0 mtt -65.73 -38.24 88.61 Favored 'General case' 0 C--N 1.391 2.395 0 CA-C-N 113.628 -1.624 . . . . 0.0 110.885 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -69.55 -38.46 77.46 Favored 'General case' 0 C--N 1.382 2.004 0 C-N-CA 124.642 1.177 . . . . 0.0 111.224 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -73.37 -46.75 47.22 Favored 'General case' 0 N--CA 1.508 2.434 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 -177.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.34 -40.9 73.82 Favored 'General case' 0 N--CA 1.509 2.502 0 C-N-CA 124.022 0.929 . . . . 0.0 113.299 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -68.55 -37.68 80.13 Favored 'General case' 0 C--N 1.384 2.105 0 C-N-CA 124.145 0.978 . . . . 0.0 112.813 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 0.4 OUTLIER -80.21 -14.37 58.49 Favored 'General case' 0 C--N 1.386 2.161 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.186 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -74.35 -52.74 11.3 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-N 118.788 0.722 . . . . 0.0 112.109 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -74.21 -30.71 62.32 Favored 'General case' 0 C--N 1.392 2.422 0 C-N-CA 124.147 0.979 . . . . 0.0 111.889 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -86.05 -14.17 45.19 Favored 'General case' 0 CA--C 1.574 1.876 0 C-N-CA 124.534 1.134 . . . . 0.0 112.566 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -62.67 -35.06 78.45 Favored 'General case' 0 N--CA 1.521 3.076 0 C-N-CA 125.352 1.461 . . . . 0.0 110.223 174.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.77 -38.35 87.7 Favored 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 125.135 1.374 . . . . 0.0 112.71 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -70.63 -30.12 66.68 Favored 'General case' 0 C--N 1.396 2.615 0 C-N-CA 125.072 1.349 . . . . 0.0 112.498 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 51.54 27.4 3.85 Favored 'General case' 0 N--CA 1.528 3.45 0 C-N-CA 127.86 2.464 . . . . 0.0 117.01 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.58 148.95 39.81 Favored Pre-proline 0 CA--C 1.583 2.22 0 CA-C-O 118.648 -0.691 . . . . 0.0 112.143 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.05 -11.95 17.42 Favored 'Trans proline' 1 C--N 1.427 4.688 0 C-N-CA 124.167 3.244 . . . . 0.0 117.72 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -33.18 65.45 Favored 'General case' 0 N--CA 1.524 3.242 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -173.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -31.16 56.45 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 125.976 1.71 . . . . 0.0 110.73 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.24 -33.53 69.92 Favored 'General case' 0 C--N 1.385 2.137 0 C-N-CA 124.618 1.167 . . . . 0.0 109.787 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.12 -28.94 63.6 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 124.095 0.958 . . . . 0.0 111.995 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -76.2 -43.69 41.26 Favored 'General case' 0 C--N 1.395 2.578 0 C-N-CA 124.654 1.182 . . . . 0.0 112.706 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.1 mp -70.76 -40.58 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 C-N-CA 126.64 1.976 . . . . 0.0 112.106 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.5 m -62.01 -38.61 89.29 Favored 'General case' 0 CA--C 1.584 2.275 0 C-N-CA 125.94 1.696 . . . . 0.0 110.234 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.12 94.9 Favored 'General case' 0 N--CA 1.507 2.386 0 C-N-CA 124.813 1.245 . . . . 0.0 112.002 175.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.46 -28.47 61.97 Favored 'General case' 0 C--N 1.387 2.202 0 C-N-CA 125.187 1.395 . . . . 0.0 111.552 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -34.74 76.09 Favored 'General case' 0 C--N 1.39 2.341 0 C-N-CA 126.646 1.978 . . . . 0.0 111.391 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -76.28 -33.5 59.11 Favored 'General case' 0 C--N 1.38 1.908 0 C-N-CA 125.805 1.642 . . . . 0.0 109.853 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -71.96 -34.9 69.36 Favored 'General case' 0 C--N 1.385 2.126 0 C-N-CA 125.349 1.46 . . . . 0.0 112.626 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.82 -40.64 98.03 Favored 'General case' 0 C--N 1.38 1.912 0 C-N-CA 124.393 1.077 . . . . 0.0 109.863 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.3 p -77.55 -40.4 42.64 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -71.26 -36.05 71.61 Favored 'General case' 0 N--CA 1.514 2.773 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 90.0 m -73.24 -38.35 66.03 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 123.453 0.701 . . . . 0.0 111.679 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -64.71 -39.69 94.08 Favored 'General case' 0 C--N 1.389 2.29 0 C-N-CA 125.032 1.333 . . . . 0.0 112.939 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 15.0 m -72.09 -43.69 64.42 Favored 'General case' 0 CA--C 1.576 1.95 0 C-N-CA 125.037 1.335 . . . . 0.0 112.393 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.66 -39.26 84.54 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 125.541 1.536 . . . . 0.0 113.302 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 35.9 mt -70.43 -39.31 76.22 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.025 0 C-N-CA 125.413 1.485 . . . . 0.0 110.582 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.25 -41.17 97.08 Favored 'General case' 0 C--N 1.392 2.446 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.56 -40.53 84.94 Favored 'General case' 0 N--CA 1.514 2.744 0 C-N-CA 124.777 1.231 . . . . 0.0 113.623 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.3 p -70.33 -34.43 72.67 Favored 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 124.282 1.033 . . . . 0.0 112.667 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.72 -29.74 62.43 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 124.424 1.09 . . . . 0.0 112.61 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.72 -38.68 83.9 Favored 'General case' 0 N--CA 1.514 2.742 0 C-N-CA 124.601 1.16 . . . . 0.0 113.461 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.34 -32.55 70.32 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 124.997 1.319 . . . . 0.0 110.838 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.12 -29.37 60.54 Favored 'General case' 0 C--N 1.384 2.103 0 C-N-CA 125.101 1.361 . . . . 0.0 111.978 177.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -71.97 -31.85 66.69 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 125.736 1.614 . . . . 0.0 112.996 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -76.7 -16.97 59.37 Favored 'General case' 0 C--N 1.384 2.079 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 -177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.74 -1.62 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 CA-C-O 121.839 0.828 . . . . 0.0 109.903 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 17.2 m -97.93 -12.89 21.55 Favored 'General case' 0 CA--C 1.578 2.041 0 C-N-CA 126.343 1.857 . . . . 0.0 110.668 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 . . . . . 0 C--O 1.26 1.611 0 C-N-CA 124.075 0.95 . . . . 0.0 111.221 -176.024 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtt . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.02 0.438 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -116.01 119.64 36.55 Favored 'General case' 0 N--CA 1.495 1.807 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.872 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.26 -52.48 0.04 OUTLIER Pre-proline 0 CA--C 1.584 2.274 0 CA-C-O 116.385 -1.769 . . . . 0.0 111.476 178.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -65.74 -18.67 58.79 Favored 'Trans proline' 1 C--N 1.455 6.172 0 C-N-CA 123.384 2.722 . . . . 0.0 116.629 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.23 -34.73 20.36 Favored 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 124.076 0.951 . . . . 0.0 111.405 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.57 -37.73 49.95 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 125.029 1.332 . . . . 0.0 112.125 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -30.61 67.56 Favored 'General case' 0 C--N 1.382 2.007 0 C-N-CA 124.255 1.022 . . . . 0.0 109.803 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.44 -38.41 87.33 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 124.524 1.14 . . . . 0.0 111.506 176.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.2 m -71.44 -41.13 69.86 Favored 'General case' 0 C--N 1.386 2.165 0 C-N-CA 123.926 0.89 . . . . 0.0 110.819 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 mt -58.84 -43.75 90.77 Favored 'General case' 0 C--N 1.388 2.266 0 O-C-N 124.422 1.076 . . . . 0.0 112.088 173.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -65.98 -39.62 90.53 Favored 'General case' 0 C--N 1.401 2.809 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -69.28 -38.1 78.2 Favored 'General case' 0 C--N 1.376 1.744 0 CA-C-O 117.5 -1.238 . . . . 0.0 110.307 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.5 -29.02 70.35 Favored 'General case' 0 N--CA 1.507 2.389 0 C-N-CA 123.823 0.849 . . . . 0.0 111.756 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.9 t -76.12 -45.69 35.43 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 C-N-CA 125.633 1.573 . . . . 0.0 110.843 177.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.65 -29.66 67.17 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 123.543 0.737 . . . . 0.0 111.228 175.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.44 91.14 Favored 'General case' 0 N--CA 1.51 2.559 0 C-N-CA 125.855 1.662 . . . . 0.0 110.245 171.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -35.46 70.73 Favored 'General case' 0 C--N 1.382 1.98 0 C-N-CA 124.737 1.215 . . . . 0.0 110.745 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -59.82 -43.15 94.69 Favored 'General case' 0 N--CA 1.503 2.214 0 C-N-CA 127.198 2.199 . . . . 0.0 111.837 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.13 -14.07 59.35 Favored 'General case' 0 N--CA 1.504 2.268 0 C-N-CA 125.094 1.358 . . . . 0.0 114.19 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -97.6 -18.17 19.09 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.848 1.259 . . . . 0.0 109.023 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.18 15.9 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.696 0 C-N-CA 126.769 2.028 . . . . 0.0 111.046 176.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.5 -81.13 0.14 Allowed Glycine 0 N--CA 1.495 2.584 0 CA-C-O 116.391 -2.339 . . . . 0.0 114.046 -172.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.24 -3.28 9.6 Favored 'Trans proline' 1 C--N 1.423 4.497 0 CA-C-N 122.461 3.131 . . . . 0.0 114.869 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.27 -8.05 55.82 Favored 'General case' 0 C--N 1.382 2.015 0 C-N-CA 126.484 1.914 . . . . 0.0 112.772 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.75 -45.61 93.17 Favored 'General case' 0 N--CA 1.499 2.022 0 C-N-CA 126.764 2.026 . . . . 0.0 116.391 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.3 m -93.17 -32.06 14.54 Favored 'General case' 0 C--N 1.38 1.929 0 C-N-CA 123.92 0.888 . . . . 0.0 110.704 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -121.91 111.44 17.08 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-N 113.471 -1.695 . . . . 0.0 111.841 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -83.85 127.1 33.59 Favored 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -119.42 -121.02 0.3 Allowed 'General case' 0 CA--C 1.575 1.927 0 C-N-CA 123.984 0.914 . . . . 0.0 111.277 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.77 94.74 3.33 Favored 'General case' 0 C--N 1.388 2.259 0 CA-C-N 119.517 1.053 . . . . 0.0 112.461 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.0 m -116.38 120.78 34.34 Favored Pre-proline 0 C--N 1.38 1.92 0 CA-C-N 118.852 0.751 . . . . 0.0 110.846 175.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -62.21 -26.31 77.51 Favored 'Trans proline' 1 C--N 1.434 5.059 0 C-N-CA 123.892 3.061 . . . . 0.0 115.7 178.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -106.34 26.13 10.23 Favored 'General case' 0 CA--C 1.579 2.069 0 C-N-CA 124.893 1.277 . . . . 0.0 112.992 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.66 105.87 3.85 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.44 92.97 3.67 Favored 'General case' 0 C--N 1.373 1.596 0 CA-C-O 121.837 0.827 . . . . 0.0 110.087 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -85.06 -0.86 55.85 Favored 'General case' 0 N--CA 1.5 2.065 0 CA-C-N 113.989 -1.46 . . . . 0.0 113.881 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -80.62 -21.68 41.29 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 124.277 1.031 . . . . 0.0 111.756 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 mt -90.62 -3.09 57.79 Favored 'General case' 0 C--N 1.384 2.096 0 C-N-CA 124.687 1.195 . . . . 0.0 112.13 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -122.35 156.85 33.07 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 124.506 1.123 . . . . 0.0 112.953 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.22 113.05 18.41 Favored 'General case' 0 C--N 1.376 1.746 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 t -135.84 158.97 43.1 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.69 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -106.55 48.5 0.84 Allowed 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.34 -69.79 0.47 Allowed Glycine 0 N--CA 1.489 2.224 0 N-CA-C 118.168 2.027 . . . . 0.0 118.168 170.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -175.21 63.91 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 119.056 1.428 . . . . 0.0 109.78 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -141.58 137.96 32.3 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.06 -23.58 62.17 Favored 'General case' 0 N--CA 1.525 3.291 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 171.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.1 -36.96 93.7 Favored Glycine 0 C--N 1.381 3.081 0 C-N-CA 125.353 1.454 . . . . 0.0 114.422 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.66 -23.04 42.79 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 123.754 0.821 . . . . 0.0 112.547 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -81.37 -29.69 33.94 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.77 -38.21 58.56 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 124.931 1.292 . . . . 0.0 112.933 178.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.8 -35.88 72.74 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 125.49 1.516 . . . . 0.0 112.492 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -78.79 -29.36 44.88 Favored 'General case' 0 C--N 1.377 1.795 0 C-N-CA 123.754 0.822 . . . . 0.0 110.437 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.48 -37.56 65.7 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.771 -1.559 . . . . 0.0 111.342 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -65.0 -41.52 95.32 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 125.186 1.394 . . . . 0.0 110.412 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.79 -39.8 72.95 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 125.719 1.608 . . . . 0.0 112.016 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.8 m -63.14 -37.65 88.04 Favored 'General case' 0 N--CA 1.513 2.705 0 C-N-CA 124.421 1.089 . . . . 0.0 113.674 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.7 tp -70.19 -40.87 74.36 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 124.753 1.221 . . . . 0.0 110.944 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.5 p -71.55 -29.59 64.92 Favored 'General case' 0 N--CA 1.507 2.408 0 C-N-CA 125.372 1.469 . . . . 0.0 113.407 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -76.93 -39.28 51.29 Favored 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 123.882 0.873 . . . . 0.0 113.068 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.03 -35.68 78.68 Favored 'General case' 0 N--CA 1.507 2.379 0 C-N-CA 124.923 1.289 . . . . 0.0 111.744 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -34.98 78.93 Favored 'General case' 0 C--N 1.386 2.189 0 C-N-CA 126.456 1.903 . . . . 0.0 112.143 176.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.15 -40.76 94.8 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 124.2 1.0 . . . . 0.0 112.111 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.8 -27.83 68.55 Favored 'General case' 0 C--N 1.393 2.498 0 C-N-CA 124.973 1.309 . . . . 0.0 113.244 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.32 -38.89 83.69 Favored 'Isoleucine or valine' 0 C--N 1.379 1.886 0 C-N-CA 125.31 1.444 . . . . 0.0 108.866 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -69.39 -12.24 61.49 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 125.854 1.662 . . . . 0.0 112.444 174.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -84.1 -38.99 20.07 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 171.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.06 32.19 2.27 Favored Glycine 0 C--N 1.379 2.963 0 N-CA-C 116.546 1.379 . . . . 0.0 116.546 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.24 108.61 20.21 Favored 'General case' 0 C--N 1.373 1.588 0 CA-C-O 121.772 0.796 . . . . 0.0 109.126 177.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.64 -23.39 61.68 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 113.531 -1.668 . . . . 0.0 112.462 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.6 m -71.06 -37.38 72.49 Favored 'General case' 0 CA--C 1.573 1.853 0 C-N-CA 125.06 1.344 . . . . 0.0 110.39 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.96 -22.56 58.49 Favored 'General case' 0 C--N 1.392 2.434 0 C-N-CA 124.341 1.056 . . . . 0.0 112.165 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.91 -49.26 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 126.447 1.899 . . . . 0.0 109.864 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.79 -37.15 81.64 Favored 'General case' 0 C--N 1.383 2.045 0 C-N-CA 127.074 2.15 . . . . 0.0 112.344 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.84 -45.62 91.74 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 125.575 1.55 . . . . 0.0 108.962 172.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.95 -40.18 95.83 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 124.763 1.29 . . . . 0.0 111.305 175.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.19 95.75 Favored 'General case' 0 N--CA 1.511 2.624 0 C-N-CA 124.944 1.298 . . . . 0.0 112.607 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.98 -38.04 75.92 Favored 'General case' 0 N--CA 1.519 3.013 0 C-N-CA 126.096 1.759 . . . . 0.0 111.221 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -28.9 64.12 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 125.484 1.514 . . . . 0.0 110.571 173.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.15 -45.56 66.52 Favored 'General case' 0 C--N 1.379 1.851 0 C-N-CA 124.192 0.997 . . . . 0.0 111.443 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.45 -40.25 81.18 Favored 'General case' 0 C--N 1.388 2.264 0 C-N-CA 125.369 1.468 . . . . 0.0 112.752 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.28 84.48 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 125.928 1.691 . . . . 0.0 111.89 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -73.59 -27.12 61.13 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 123.883 0.873 . . . . 0.0 112.369 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 33.2 mt -63.07 -46.35 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -67.37 -46.68 72.61 Favored 'General case' 0 N--CA 1.502 2.143 0 C-N-CA 124.718 1.207 . . . . 0.0 112.497 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.04 -44.17 61.11 Favored 'General case' 0 C--N 1.376 1.75 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.1 mt -85.88 -45.93 11.08 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -175.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 50.7 mt-30 -65.92 -36.89 84.61 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 124.047 0.842 . . . . 0.0 113.026 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -76.0 -38.85 56.87 Favored 'General case' 0 CA--C 1.588 2.411 0 C-N-CA 124.556 1.142 . . . . 0.0 113.771 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -77.19 -26.14 52.55 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-N 119.534 1.061 . . . . 0.0 109.519 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.51 -23.83 46.12 Favored 'General case' 0 C--N 1.385 2.117 0 C-N-CA 125.776 1.63 . . . . 0.0 110.451 174.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.44 96.89 Favored 'General case' 0 C--N 1.413 3.341 0 C-N-CA 123.693 0.797 . . . . 0.0 112.957 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -77.79 -29.38 50.78 Favored 'General case' 0 C--N 1.391 2.411 0 C-N-CA 124.58 1.152 . . . . 0.0 111.174 175.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.88 -25.49 56.97 Favored 'General case' 0 C--N 1.389 2.291 0 C-N-CA 123.978 0.911 . . . . 0.0 113.033 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -57.64 -17.67 15.98 Favored 'General case' 0 C--N 1.415 3.444 0 C-N-CA 126.007 1.723 . . . . 0.0 113.078 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.417 ' C ' ' H ' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -58.57 -0.76 0.11 Allowed 'General case' 0 N--CA 1.526 3.333 0 C-N-CA 127.116 2.166 . . . . 0.0 114.442 174.489 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -67.76 27.06 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.185 0 C-N-CA 127.993 2.517 . . . . 0.0 113.806 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.417 ' H ' ' C ' ' A' ' 95' ' ' LEU . 36.2 ptt180 -113.73 -31.56 6.42 Favored 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 128.219 2.608 . . . . 0.0 112.958 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.14 -74.35 0.38 Allowed 'General case' 0 C--N 1.378 1.845 0 N-CA-C 115.66 1.726 . . . . 0.0 115.66 -173.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -141.3 -99.55 0.14 Allowed 'General case' 0 N--CA 1.524 3.26 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -177.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -63.17 -20.9 65.82 Favored 'General case' 0 N--CA 1.515 2.792 0 C-N-CA 126.358 1.863 . . . . 0.0 115.469 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.42 -28.54 46.77 Favored 'General case' 0 CA--C 1.57 1.723 0 C-N-CA 125.715 1.606 . . . . 0.0 112.826 177.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -65.97 -54.21 29.09 Favored 'General case' 0 N--CA 1.51 2.553 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -178.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.09 -40.97 72.9 Favored Pre-proline 0 C--N 1.384 2.08 0 N-CA-C 120.767 3.617 . . . . 0.0 120.767 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -65.17 -31.88 53.27 Favored 'Trans proline' 1 C--N 1.444 5.577 0 CA-C-N 125.62 3.043 . . . . 0.0 114.154 -176.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.4 -121.77 4.84 Favored Glycine 0 C--N 1.368 2.345 0 O-C-N 125.56 1.787 . . . . 0.0 111.901 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.28 -58.29 1.17 Allowed Glycine 0 N--CA 1.482 1.766 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -95.89 -26.92 15.42 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 126.314 1.846 . . . . 0.0 110.218 175.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 64.0 mt -71.48 -35.4 70.79 Favored 'General case' 0 C--N 1.391 2.412 0 C-N-CA 124.701 1.2 . . . . 0.0 113.052 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -68.64 -34.3 75.48 Favored 'General case' 0 C--N 1.381 1.936 0 C-N-CA 125.237 1.415 . . . . 0.0 111.401 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -65.15 -36.03 82.96 Favored 'General case' 0 C--N 1.387 2.21 0 C-N-CA 125.497 1.519 . . . . 0.0 110.796 173.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.482 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -72.1 -50.35 28.78 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 123.814 0.845 . . . . 0.0 110.82 175.53 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.39 -62.04 1.85 Allowed 'General case' 0 CA--C 1.596 2.723 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.53 -43.47 20.67 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 117.032 2.234 . . . . 0.0 117.032 -176.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 38.1 mt-10 -71.54 -33.62 69.31 Favored 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 7.4 m-85 -68.41 -38.92 81.73 Favored 'General case' 0 C--N 1.39 2.345 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.783 177.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -64.32 -38.48 91.2 Favored 'General case' 0 C--N 1.395 2.561 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -67.13 -42.32 84.62 Favored 'General case' 0 N--CA 1.516 2.866 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -70.61 -35.11 72.8 Favored 'General case' 0 N--CA 1.506 2.334 0 C-N-CA 124.243 1.017 . . . . 0.0 112.116 178.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 31.9 mt-10 -67.95 -35.71 78.86 Favored 'General case' 0 C--N 1.382 2.02 0 C-N-CA 125.168 1.387 . . . . 0.0 111.784 176.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -59.69 -50.22 74.68 Favored 'General case' 0 C--N 1.39 2.361 0 C-N-CA 125.918 1.687 . . . . 0.0 114.571 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -72.36 -39.96 67.68 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 152' ' ' LEU . 20.1 mt -61.28 -33.46 73.58 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 123.671 0.607 . . . . 0.0 110.555 175.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -70.58 -35.24 72.93 Favored 'General case' 0 C--N 1.377 1.794 0 C-N-CA 125.225 1.41 . . . . 0.0 111.955 176.183 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.1 -39.61 90.1 Favored 'General case' 0 C--N 1.408 3.148 0 C-N-CA 125.582 1.553 . . . . 0.0 112.547 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 59.7 mtt -64.47 -39.58 94.08 Favored 'General case' 0 C--N 1.386 2.183 0 O-C-N 124.817 1.323 . . . . 0.0 110.67 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -68.87 -38.93 80.03 Favored 'General case' 0 C--N 1.383 2.055 0 C-N-CA 125.017 1.327 . . . . 0.0 110.534 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -66.49 -35.71 80.94 Favored 'General case' 0 C--N 1.399 2.746 0 C-N-CA 124.962 1.305 . . . . 0.0 114.505 -178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.45 -39.76 85.36 Favored 'General case' 0 N--CA 1.507 2.411 0 C-N-CA 124.373 1.069 . . . . 0.0 110.923 176.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -75.74 -23.78 56.04 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 124.606 1.162 . . . . 0.0 112.647 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -69.15 -36.86 77.87 Favored 'General case' 0 N--CA 1.516 2.826 0 C-N-CA 125.195 1.398 . . . . 0.0 111.21 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -67.2 -38.67 85.72 Favored 'General case' 0 C--N 1.384 2.097 0 C-N-CA 124.9 1.28 . . . . 0.0 110.712 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.93 -36.41 75.3 Favored 'General case' 0 C--N 1.391 2.379 0 C-N-CA 124.864 1.266 . . . . 0.0 111.858 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -70.14 -34.52 73.16 Favored 'General case' 0 C--N 1.389 2.321 0 C-N-CA 125.066 1.347 . . . . 0.0 111.757 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.42 -38.34 89.63 Favored 'General case' 0 CA--C 1.572 1.811 0 C-N-CA 125.22 1.408 . . . . 0.0 113.273 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -90.82 -38.9 12.67 Favored 'General case' 0 C--N 1.387 2.199 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -106.83 -29.98 9.18 Favored 'General case' 0 C--N 1.394 2.532 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 55.99 26.17 9.64 Favored 'General case' 0 N--CA 1.531 3.621 0 C-N-CA 127.519 2.328 . . . . 0.0 116.569 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.17 137.92 60.62 Favored Pre-proline 0 N--CA 1.503 2.182 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -56.74 -14.88 14.67 Favored 'Trans proline' 1 C--N 1.438 5.283 0 C-N-CA 124.808 3.672 . . . . 0.0 116.748 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -68.73 -37.76 79.68 Favored 'General case' 0 N--CA 1.527 3.413 0 C-N-CA 124.396 1.078 . . . . 0.0 113.273 -177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.505 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -77.83 -29.68 50.68 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 126.692 1.997 . . . . 0.0 109.988 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.42 -37.02 77.24 Favored 'General case' 0 C--N 1.375 1.716 0 C-N-CA 126.779 2.032 . . . . 0.0 110.394 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.64 -33.18 70.71 Favored 'General case' 0 C--N 1.381 1.937 0 C-N-CA 124.112 0.965 . . . . 0.0 110.738 173.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.33 -42.58 65.22 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 125.085 1.354 . . . . 0.0 114.007 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 6.6 mt -66.35 -43.18 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.233 0 C-N-CA 125.274 1.429 . . . . 0.0 109.069 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.3 m -62.59 -42.49 99.59 Favored 'General case' 0 CA--C 1.588 2.417 0 C-N-CA 126.059 1.744 . . . . 0.0 111.558 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.01 95.98 Favored 'General case' 0 N--CA 1.512 2.65 0 C-N-CA 124.576 1.15 . . . . 0.0 112.492 175.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 21.8 mt -73.53 -27.6 61.44 Favored 'General case' 0 C--N 1.38 1.912 0 C-N-CA 125.061 1.345 . . . . 0.0 111.974 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -37.91 88.36 Favored 'General case' 0 C--N 1.39 2.344 0 C-N-CA 126.22 1.808 . . . . 0.0 112.439 177.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -75.18 -34.87 61.59 Favored 'General case' 0 C--N 1.39 2.363 0 C-N-CA 125.139 1.376 . . . . 0.0 109.954 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -70.46 -34.98 73.04 Favored 'General case' 0 C--N 1.386 2.179 0 C-N-CA 125.626 1.57 . . . . 0.0 112.613 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.7 OUTLIER -64.46 -38.7 91.93 Favored 'General case' 0 C--N 1.381 1.961 0 C-N-CA 124.332 1.053 . . . . 0.0 109.999 174.768 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.7 p -77.36 -39.04 48.85 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 123.94 0.775 . . . . 0.0 112.814 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -70.69 -37.56 73.61 Favored 'General case' 0 N--CA 1.514 2.74 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 88.8 m -71.52 -38.38 71.1 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 123.767 0.827 . . . . 0.0 111.65 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -64.0 -38.13 89.96 Favored 'General case' 0 C--N 1.391 2.388 0 C-N-CA 125.294 1.437 . . . . 0.0 113.369 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 27.5 m -67.68 -40.63 84.42 Favored 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 125.263 1.425 . . . . 0.0 110.235 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.89 -37.88 79.3 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 125.963 1.705 . . . . 0.0 112.589 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 13.0 mt -70.24 -40.01 77.49 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.863 0 C-N-CA 126.291 1.837 . . . . 0.0 110.62 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.0 98.87 Favored 'General case' 0 C--N 1.389 2.308 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.39 -41.28 66.47 Favored 'General case' 0 N--CA 1.507 2.424 0 C-N-CA 124.553 1.141 . . . . 0.0 114.078 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.7 p -72.15 -38.57 69.17 Favored 'General case' 0 N--CA 1.509 2.499 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -74.34 -36.18 63.64 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 123.824 0.85 . . . . 0.0 113.189 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -68.17 -38.53 82.18 Favored 'General case' 0 N--CA 1.51 2.53 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.493 ' O ' HG13 ' A' ' 169' ' ' ILE . . . -71.1 -37.19 72.39 Favored 'General case' 0 C--N 1.374 1.638 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.811 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.12 -33.84 68.13 Favored 'General case' 0 C--N 1.389 2.302 0 C-N-CA 125.567 1.547 . . . . 0.0 112.735 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.15 -23.61 59.29 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 124.651 1.18 . . . . 0.0 112.887 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -19.73 28.65 Favored 'General case' 0 C--N 1.381 1.964 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 165' ' ' ALA . 0.3 OUTLIER -113.09 19.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.378 1.841 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -177.194 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 55.6 m -55.79 -40.71 73.05 Favored 'General case' 0 C--N 1.377 1.777 0 CA-C-N 113.567 -1.651 . . . . 0.0 108.474 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 . . . . . 0 N--CA 1.495 1.793 0 CA-C-N 112.896 -1.957 . . . . 0.0 111.462 178.238 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.085 0.469 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -114.99 129.7 56.77 Favored 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.133 0.973 . . . . 0.0 110.989 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 p -120.87 114.02 32.7 Favored Pre-proline 0 CA--C 1.576 1.976 0 C-N-CA 123.862 0.865 . . . . 0.0 111.394 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -63.86 113.77 2.31 Favored 'Trans proline' 1 C--N 1.435 5.108 0 C-N-CA 123.231 2.621 . . . . 0.0 114.462 178.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.63 -44.55 6.4 Favored 'General case' 0 N--CA 1.503 2.184 0 C-N-CA 123.586 0.754 . . . . 0.0 112.092 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -36.8 57.61 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 125.057 1.343 . . . . 0.0 112.203 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.32 -31.46 68.78 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 124.441 1.096 . . . . 0.0 110.524 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -69.43 -35.69 75.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 124.361 1.038 . . . . 0.0 111.394 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -72.36 -40.97 66.94 Favored 'General case' 0 C--N 1.387 2.235 0 C-N-CA 124.108 0.963 . . . . 0.0 111.015 176.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.8 -44.41 86.28 Favored 'General case' 0 C--N 1.392 2.419 0 O-C-N 124.344 1.028 . . . . 0.0 111.965 173.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -65.57 -39.07 91.25 Favored 'General case' 0 C--N 1.396 2.612 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.5 m -68.89 -38.79 79.86 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.744 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.7 -30.6 71.53 Favored 'General case' 0 N--CA 1.509 2.487 0 C-N-CA 124.704 1.202 . . . . 0.0 111.986 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.8 t -75.26 -46.16 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 C-N-CA 125.251 1.42 . . . . 0.0 110.415 177.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB1' HD21 ' A' ' 86' ' ' LEU . . . -69.14 -30.68 68.98 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 123.755 0.822 . . . . 0.0 111.453 175.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.421 ' O ' HD23 ' A' ' 20' ' ' LEU . . . -64.63 -42.75 95.27 Favored 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 125.49 1.516 . . . . 0.0 110.427 172.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.11 -35.42 74.12 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 124.208 1.003 . . . . 0.0 110.637 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -61.04 -39.6 90.42 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 127.543 2.337 . . . . 0.0 111.977 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.84 -15.96 59.57 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 176.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 16' ' ' ALA . 3.0 mm? -97.52 -19.04 18.63 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.956 1.302 . . . . 0.0 110.168 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.17 10.41 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 C-N-CA 126.976 2.11 . . . . 0.0 113.456 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.32 -75.55 1.2 Allowed Glycine 0 N--CA 1.488 2.112 0 CA-C-O 117.098 -1.946 . . . . 0.0 113.99 -171.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -60.2 -19.02 55.13 Favored 'Trans proline' 1 C--N 1.42 4.313 0 CA-C-N 121.068 2.434 . . . . 0.0 114.471 176.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mp -72.35 -38.82 68.48 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 124.775 1.23 . . . . 0.0 112.993 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.79 -8.21 59.67 Favored 'General case' 0 C--N 1.393 2.491 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.32 -28.72 22.08 Favored 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 123.249 0.62 . . . . 0.0 111.084 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -113.85 179.97 3.8 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 126.092 1.757 . . . . 0.0 110.606 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -91.88 98.78 11.8 Favored 'General case' 0 N--CA 1.498 1.965 0 C-N-CA 123.552 0.741 . . . . 0.0 110.473 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -126.7 151.88 47.54 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 114.528 -1.214 . . . . 0.0 112.409 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -98.81 87.0 3.64 Favored 'General case' 0 CA--C 1.58 2.103 0 C-N-CA 124.957 1.303 . . . . 0.0 110.95 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 t -111.75 106.09 56.61 Favored Pre-proline 0 CA--C 1.582 2.182 0 O-C-N 121.5 -0.75 . . . . 0.0 112.352 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -79.18 -6.45 14.86 Favored 'Trans proline' 1 C--N 1.432 4.954 0 C-N-CA 123.632 2.888 . . . . 0.0 115.515 174.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -101.33 20.35 16.03 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 124.891 1.276 . . . . 0.0 112.537 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -79.06 111.59 15.42 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.57 93.09 8.72 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-O 122.361 1.076 . . . . 0.0 110.345 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -82.24 -14.52 55.38 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 112.933 -1.94 . . . . 0.0 113.915 -176.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -81.31 -28.33 34.65 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 123.455 0.702 . . . . 0.0 111.584 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mt -98.03 -1.04 43.47 Favored 'General case' 0 C--N 1.385 2.146 0 C-N-CA 124.071 0.948 . . . . 0.0 112.451 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -120.56 153.94 36.06 Favored 'General case' 0 C--N 1.38 1.894 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.37 112.82 18.56 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.3 t -134.58 158.47 43.93 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.148 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -111.81 22.29 15.1 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 124.398 1.079 . . . . 0.0 112.924 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.28 85.89 0.63 Allowed Glycine 0 C--N 1.362 1.972 0 CA-C-O 117.528 -1.707 . . . . 0.0 117.222 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 27.59 59.76 0.1 Allowed 'General case' 0 N--CA 1.531 3.586 0 N-CA-C 117.282 2.327 . . . . 0.0 117.282 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -131.79 133.5 44.79 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.83 -27.62 63.03 Favored 'General case' 0 N--CA 1.512 2.674 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 170.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.63 -36.93 93.39 Favored Glycine 0 C--N 1.385 3.27 0 CA-C-N 113.924 -1.489 . . . . 0.0 114.418 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.98 -25.81 40.2 Favored 'General case' 0 C--N 1.395 2.57 0 C-N-CA 123.206 0.602 . . . . 0.0 112.043 -177.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -81.93 -29.64 32.19 Favored 'General case' 0 N--CA 1.505 2.315 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.385 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.14 -35.77 61.62 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 124.794 1.238 . . . . 0.0 111.876 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -30.37 67.65 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 125.362 1.465 . . . . 0.0 111.393 177.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.39 -31.25 37.81 Favored 'General case' 0 C--N 1.382 2.008 0 C-N-CA 123.659 0.784 . . . . 0.0 109.13 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.32 -40.48 64.44 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 114.208 -1.36 . . . . 0.0 112.256 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.54 -35.48 75.47 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 124.792 1.237 . . . . 0.0 110.911 175.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.26 -26.64 61.19 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 125.88 1.672 . . . . 0.0 112.493 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.2 m -78.39 -28.41 46.98 Favored 'General case' 0 C--N 1.386 2.187 0 C-N-CA 123.723 0.809 . . . . 0.0 110.553 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.4 -40.99 66.76 Favored 'General case' 0 C--N 1.385 2.109 0 C-N-CA 124.184 0.994 . . . . 0.0 110.888 176.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.5 p -70.93 -32.13 68.95 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 125.809 1.644 . . . . 0.0 113.943 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -76.94 -40.59 46.54 Favored 'General case' 0 N--CA 1.513 2.714 0 CA-C-N 118.961 0.8 . . . . 0.0 112.942 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.69 -31.76 71.1 Favored 'General case' 0 C--N 1.39 2.342 0 C-N-CA 124.739 1.215 . . . . 0.0 111.43 177.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 0.4 OUTLIER -66.21 -33.53 75.96 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 126.188 1.795 . . . . 0.0 111.45 175.791 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.15 90.02 Favored 'General case' 0 C--N 1.391 2.393 0 O-C-N 124.111 0.882 . . . . 0.0 112.591 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.09 -29.85 66.93 Favored 'General case' 0 C--N 1.391 2.407 0 C-N-CA 123.62 0.768 . . . . 0.0 112.26 173.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 59.4 t -60.49 -40.26 83.76 Favored 'Isoleucine or valine' 0 C--N 1.389 2.283 0 C-N-CA 125.804 1.641 . . . . 0.0 109.376 175.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -52.36 -33.22 42.02 Favored 'General case' 0 C--N 1.394 2.538 0 O-C-N 125.195 1.56 . . . . 0.0 113.285 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -70.19 -37.9 75.22 Favored 'General case' 0 C--N 1.401 2.829 0 C-N-CA 125.379 1.472 . . . . 0.0 112.447 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.77 35.09 2.09 Favored Glycine 0 C--N 1.372 2.562 0 N-CA-C 115.793 1.077 . . . . 0.0 115.793 175.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.7 113.35 25.42 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-O 121.805 0.812 . . . . 0.0 109.153 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.51 -29.17 65.6 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 113.135 -1.848 . . . . 0.0 113.203 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.9 m -71.75 -38.01 70.46 Favored 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 124.851 1.26 . . . . 0.0 111.265 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -75.32 -22.66 57.48 Favored 'General case' 0 N--CA 1.507 2.424 0 C-N-CA 123.734 0.814 . . . . 0.0 112.306 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.0 t -76.6 -47.69 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 126.183 1.793 . . . . 0.0 109.861 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.73 -37.46 82.21 Favored 'General case' 0 C--N 1.386 2.169 0 C-N-CA 127.319 2.248 . . . . 0.0 112.636 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -41.47 97.27 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 126.15 1.78 . . . . 0.0 110.127 173.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tt -72.85 -37.85 67.25 Favored 'General case' 0 CA--C 1.573 1.83 0 C-N-CA 124.849 1.26 . . . . 0.0 109.729 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.27 99.24 Favored 'General case' 0 N--CA 1.515 2.778 0 C-N-CA 124.641 1.176 . . . . 0.0 112.257 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -72.17 -37.07 69.42 Favored 'General case' 0 N--CA 1.515 2.792 0 C-N-CA 126.204 1.802 . . . . 0.0 111.506 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -71.34 -30.33 66.06 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 125.078 1.351 . . . . 0.0 110.578 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.06 -43.22 65.26 Favored 'General case' 0 C--N 1.374 1.662 0 C-N-CA 124.496 1.118 . . . . 0.0 112.522 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.26 -40.57 81.87 Favored 'General case' 0 C--N 1.387 2.224 0 C-N-CA 124.891 1.276 . . . . 0.0 112.524 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.39 -37.78 83.65 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 126.404 1.882 . . . . 0.0 112.177 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -73.36 -27.81 61.69 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 123.889 0.876 . . . . 0.0 112.413 176.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.559 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 27.4 mt -62.22 -46.26 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.529 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.3 mt-10 -66.15 -45.04 82.38 Favored 'General case' 0 N--CA 1.506 2.337 0 C-N-CA 124.799 1.24 . . . . 0.0 112.377 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.34 -44.71 58.3 Favored 'General case' 0 C--N 1.377 1.78 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -177.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.47 HD13 HE22 ' A' ' 116' ' ' GLN . 72.7 mt -86.21 -43.21 13.17 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -175.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 18.6 mt-30 -67.77 -38.17 83.04 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 123.819 0.7 . . . . 0.0 111.964 178.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 7.3 mtt180 -79.17 -38.29 36.28 Favored 'General case' 0 C--N 1.388 2.282 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -72.4 -31.7 65.76 Favored 'General case' 0 N--CA 1.514 2.755 0 CA-C-N 119.316 0.962 . . . . 0.0 110.311 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.3 -29.21 60.01 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 124.072 0.949 . . . . 0.0 110.306 174.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.43 73.44 Favored 'General case' 0 C--N 1.408 3.11 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.5 p -85.67 -22.4 27.9 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.322 1.049 . . . . 0.0 110.737 177.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.01 -28.47 57.79 Favored 'General case' 0 C--N 1.388 2.264 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.495 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -77.97 -9.03 58.9 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 125.671 1.589 . . . . 0.0 113.388 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mt -88.83 -30.35 19.01 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -84.18 -15.15 48.07 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 173.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -115.22 40.96 2.54 Favored 'General case' 0 C--N 1.388 2.273 0 C-N-CA 127.068 2.147 . . . . 0.0 113.518 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -125.1 -2.13 7.67 Favored 'General case' 0 CA--C 1.582 2.204 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -90.66 -94.0 0.13 Allowed 'General case' 0 C--N 1.378 1.821 0 CA-C-N 112.07 -2.332 . . . . 0.0 116.56 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -112.48 -23.16 10.44 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 125.173 1.389 . . . . 0.0 109.827 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.53 -13.76 56.08 Favored 'General case' 0 C--N 1.366 1.311 0 CA-C-N 111.995 -2.366 . . . . 0.0 114.793 -175.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -55.69 -40.66 72.67 Favored 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -170.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.86 -52.84 16.3 Favored Pre-proline 0 CA--C 1.593 2.599 0 CA-C-O 116.394 -1.765 . . . . 0.0 113.096 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -82.51 -2.03 10.86 Favored 'Trans proline' 1 C--N 1.448 5.77 0 CA-C-N 123.756 2.377 . . . . 0.0 115.152 173.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -150.1 92.92 0.14 Allowed Glycine 0 C--N 1.36 1.912 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 179.7 -40.21 0.08 OUTLIER Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.066 -1.213 . . . . 0.0 110.066 -175.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -67.64 -40.54 84.57 Favored 'General case' 0 N--CA 1.511 2.606 0 C-N-CA 126.014 1.726 . . . . 0.0 111.569 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.468 ' H ' ' HG ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -74.5 -27.04 60.38 Favored 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 126.182 1.793 . . . . 0.0 112.914 178.489 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -67.22 -35.67 80.08 Favored 'General case' 0 C--N 1.379 1.873 0 C-N-CA 125.536 1.535 . . . . 0.0 110.367 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.18 -35.79 81.38 Favored 'General case' 0 C--N 1.393 2.46 0 C-N-CA 126.082 1.753 . . . . 0.0 111.052 173.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.702 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -71.46 -44.11 65.39 Favored 'General case' 0 C--N 1.377 1.794 0 C-N-CA 123.63 0.772 . . . . 0.0 110.962 174.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -60.73 3.35 Favored 'General case' 0 CA--C 1.599 2.853 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 177.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.24 -48.02 9.51 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -175.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 40.7 mt-10 -71.32 -34.98 71.06 Favored 'General case' 0 N--CA 1.512 2.652 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -178.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.702 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 4.1 m-85 -68.57 -38.47 80.76 Favored 'General case' 0 C--N 1.396 2.589 0 CA-C-N 118.768 0.713 . . . . 0.0 111.806 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.47 HE22 HD13 ' A' ' 86' ' ' LEU . 55.0 mt-30 -66.17 -33.94 76.9 Favored 'General case' 0 C--N 1.397 2.649 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.82 -42.3 95.08 Favored 'General case' 0 N--CA 1.518 2.957 0 C-N-CA 124.727 1.211 . . . . 0.0 112.964 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -70.0 -36.25 74.99 Favored 'General case' 0 C--N 1.388 2.246 0 C-N-CA 124.935 1.294 . . . . 0.0 112.257 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -69.09 -35.01 76.0 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 125.09 1.356 . . . . 0.0 111.806 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -62.03 -45.77 92.1 Favored 'General case' 0 C--N 1.39 2.336 0 C-N-CA 125.771 1.628 . . . . 0.0 113.169 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -72.77 -41.29 65.2 Favored 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.76 -33.76 73.44 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 118.283 0.492 . . . . 0.0 110.407 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -32.94 68.58 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 124.984 1.314 . . . . 0.0 112.849 176.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.49 87.7 Favored 'General case' 0 C--N 1.399 2.754 0 C-N-CA 124.966 1.307 . . . . 0.0 111.913 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.6 mtt -65.53 -38.66 90.3 Favored 'General case' 0 C--N 1.393 2.472 0 O-C-N 125.307 1.63 . . . . 0.0 110.764 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -69.51 -39.39 77.58 Favored 'General case' 0 C--N 1.383 2.054 0 C-N-CA 124.678 1.191 . . . . 0.0 111.211 177.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -74.0 -46.61 42.54 Favored 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.45 -41.36 72.92 Favored 'General case' 0 N--CA 1.51 2.552 0 C-N-CA 124.105 0.962 . . . . 0.0 113.538 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.73 -36.7 76.08 Favored 'General case' 0 C--N 1.382 2.016 0 C-N-CA 124.224 1.01 . . . . 0.0 112.782 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 0.3 OUTLIER -78.23 -21.14 50.4 Favored 'General case' 0 C--N 1.384 2.068 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -74.37 -53.15 10.21 Favored 'General case' 0 C--O 1.273 2.304 0 CA-C-N 118.987 0.812 . . . . 0.0 112.97 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -72.3 -34.3 68.04 Favored 'General case' 0 C--N 1.391 2.376 0 CA-C-N 114.469 -1.242 . . . . 0.0 111.826 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -87.95 -9.96 51.97 Favored 'General case' 0 CA--C 1.577 1.988 0 C-N-CA 124.235 1.014 . . . . 0.0 112.934 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -63.97 -31.08 72.14 Favored 'General case' 0 N--CA 1.523 3.213 0 C-N-CA 124.854 1.262 . . . . 0.0 110.057 174.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -67.74 -14.87 63.31 Favored 'General case' 0 CA--C 1.583 2.248 0 C-N-CA 125.706 1.602 . . . . 0.0 113.691 175.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -96.49 -28.43 14.41 Favored 'General case' 0 C--N 1.393 2.469 0 C-N-CA 124.876 1.271 . . . . 0.0 109.675 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.93 33.68 17.85 Favored 'General case' 0 N--CA 1.522 3.172 0 C-N-CA 128.307 2.643 . . . . 0.0 115.632 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.21 142.7 36.03 Favored Pre-proline 0 CA--C 1.577 2.005 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -65.91 -11.06 29.27 Favored 'Trans proline' 1 C--N 1.425 4.597 0 C-N-CA 123.638 2.892 . . . . 0.0 116.41 177.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -69.85 -33.37 72.18 Favored 'General case' 0 N--CA 1.529 3.487 0 C-N-CA 124.461 1.104 . . . . 0.0 113.903 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.5 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -78.48 -30.35 47.28 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.317 1.847 . . . . 0.0 109.998 -178.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.45 70.55 Favored 'General case' 0 C--N 1.381 1.95 0 C-N-CA 124.826 1.25 . . . . 0.0 109.307 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -72.63 -30.87 64.69 Favored 'General case' 0 CA--C 1.58 2.12 0 C-N-CA 124.31 1.044 . . . . 0.0 111.344 173.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -77.24 -44.65 29.13 Favored 'General case' 0 C--N 1.399 2.725 0 C-N-CA 124.908 1.283 . . . . 0.0 113.622 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.2 mp -67.9 -42.25 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 C-N-CA 126.659 1.983 . . . . 0.0 111.827 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 36.7 m -62.95 -39.69 95.38 Favored 'General case' 0 CA--C 1.584 2.254 0 C-N-CA 125.712 1.605 . . . . 0.0 110.739 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.67 92.72 Favored 'General case' 0 N--CA 1.509 2.489 0 C-N-CA 124.833 1.253 . . . . 0.0 112.127 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.74 -28.53 62.7 Favored 'General case' 0 C--N 1.384 2.076 0 C-N-CA 125.126 1.371 . . . . 0.0 111.496 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.49 -31.98 69.32 Favored 'General case' 0 C--N 1.393 2.469 0 C-N-CA 126.074 1.75 . . . . 0.0 111.54 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -76.06 -34.69 59.6 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 125.661 1.584 . . . . 0.0 109.659 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 155' ' ' CYS . 24.3 mmt180 -71.81 -33.55 68.62 Favored 'General case' 0 C--N 1.386 2.17 0 C-N-CA 125.446 1.499 . . . . 0.0 112.741 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.3 -40.75 94.19 Favored 'General case' 0 C--N 1.38 1.9 0 C-N-CA 124.73 1.212 . . . . 0.0 109.781 174.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.4 p -76.12 -38.47 56.81 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 124.079 0.862 . . . . 0.0 112.74 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -74.22 -27.86 60.98 Favored 'General case' 0 N--CA 1.514 2.775 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 151' ' ' ARG . 2.1 t -74.15 -40.01 62.88 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 124.136 0.974 . . . . 0.0 110.783 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -30.85 65.61 Favored 'General case' 0 N--CA 1.504 2.242 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.99 -50.33 13.41 Favored 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.03 83.98 Favored 'General case' 0 C--N 1.375 1.717 0 C-N-CA 125.422 1.489 . . . . 0.0 112.877 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 20.2 mt -71.49 -37.28 63.71 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.986 0 C-N-CA 124.724 1.21 . . . . 0.0 111.02 176.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.0 99.63 Favored 'General case' 0 C--N 1.396 2.625 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -72.8 -45.91 56.01 Favored 'General case' 0 N--CA 1.51 2.54 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 21.3 p -74.63 -42.67 58.16 Favored 'General case' 0 N--CA 1.509 2.496 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -74.61 -35.73 62.94 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.88 -32.89 70.01 Favored 'General case' 0 N--CA 1.512 2.641 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.95 -36.05 72.44 Favored 'General case' 0 C--N 1.38 1.904 0 O-C-N 124.517 1.135 . . . . 0.0 110.56 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.8 mt -71.96 -36.26 69.79 Favored 'General case' 0 C--N 1.391 2.398 0 C-N-CA 125.515 1.526 . . . . 0.0 111.793 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -73.12 -21.55 60.71 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 125.407 1.483 . . . . 0.0 113.363 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -17.83 49.54 Favored 'General case' 0 C--N 1.378 1.82 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.56 20.52 6.73 Favored 'Isoleucine or valine' 0 C--N 1.368 1.407 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 1.5 t -53.36 -30.18 38.23 Favored 'General case' 0 C--N 1.389 2.309 0 C-N-CA 126.283 1.833 . . . . 0.0 111.933 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 . . . . . 0 N--CA 1.494 1.762 0 CA-C-N 112.239 -2.255 . . . . 0.0 111.785 179.384 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 mtt . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 120.753 0.311 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 58.24 74.22 0.44 Allowed 'General case' 0 N--CA 1.531 3.605 0 C-N-CA 127.249 2.22 . . . . 0.0 113.374 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 p -112.47 108.27 54.54 Favored Pre-proline 0 CA--C 1.578 2.027 0 CA-C-N 114.97 -1.014 . . . . 0.0 112.458 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -62.4 114.16 2.24 Favored 'Trans proline' 1 C--N 1.433 4.984 0 C-N-CA 123.81 3.007 . . . . 0.0 114.319 177.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt -98.52 -43.44 6.87 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 123.355 0.662 . . . . 0.0 112.426 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.56 -35.57 58.13 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 125.232 1.413 . . . . 0.0 112.257 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -31.97 68.57 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 124.663 1.185 . . . . 0.0 111.027 178.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -69.04 -37.38 78.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 124.802 1.314 . . . . 0.0 111.683 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.0 m -71.4 -41.21 69.87 Favored 'General case' 0 C--N 1.387 2.212 0 C-N-CA 123.598 0.759 . . . . 0.0 111.023 176.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -57.49 -44.7 85.15 Favored 'General case' 0 C--N 1.39 2.368 0 O-C-N 124.445 1.091 . . . . 0.0 112.277 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -65.37 -40.06 93.08 Favored 'General case' 0 C--N 1.396 2.614 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -69.67 -37.32 76.64 Favored 'General case' 0 C--N 1.377 1.767 0 CA-C-O 117.398 -1.287 . . . . 0.0 110.839 178.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.71 -30.54 71.49 Favored 'General case' 0 N--CA 1.509 2.504 0 C-N-CA 123.934 0.894 . . . . 0.0 111.889 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.58 -46.73 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.421 0 C-N-CA 125.251 1.421 . . . . 0.0 110.912 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.23 -28.07 64.97 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 123.632 0.773 . . . . 0.0 111.581 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.97 94.51 Favored 'General case' 0 N--CA 1.513 2.683 0 C-N-CA 125.974 1.71 . . . . 0.0 110.546 170.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -71.65 -34.73 70.0 Favored 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 124.889 1.275 . . . . 0.0 111.299 176.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -61.47 -42.95 99.57 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 126.92 2.088 . . . . 0.0 112.22 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.78 -17.49 47.47 Favored 'General case' 0 N--CA 1.513 2.69 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mp -94.39 -13.63 26.11 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 126.137 1.775 . . . . 0.0 111.507 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.0 mt -110.01 -22.43 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.344 0 C-N-CA 124.923 1.289 . . . . 0.0 108.568 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -22.51 -86.05 0.01 OUTLIER Glycine 0 C--N 1.39 3.563 0 C-N-CA 128.48 2.943 . . . . 0.0 118.82 -175.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.47 -15.9 38.45 Favored 'Trans proline' 0 C--N 1.41 3.775 0 CA-C-N 121.448 2.624 . . . . 0.0 117.337 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.76 -41.86 64.62 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 -177.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.41 -13.97 57.66 Favored 'General case' 0 N--CA 1.511 2.597 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.8 m -84.58 -22.33 30.09 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 124.232 1.013 . . . . 0.0 110.598 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -105.22 -13.71 15.61 Favored 'General case' 0 N--CA 1.5 2.054 0 CA-C-N 113.57 -1.65 . . . . 0.0 112.193 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 61.4 76.07 0.38 Allowed 'General case' 0 N--CA 1.526 3.366 0 C-N-CA 127.903 2.481 . . . . 0.0 113.553 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -110.15 -124.84 0.27 Allowed 'General case' 0 CA--C 1.577 1.988 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.014 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.52 117.97 22.23 Favored 'General case' 0 C--N 1.383 2.05 0 CA-C-N 119.123 0.874 . . . . 0.0 111.063 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.3 m -116.1 104.83 51.85 Favored Pre-proline 0 C--N 1.387 2.207 0 CA-C-N 119.517 1.053 . . . . 0.0 111.513 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -70.72 -29.41 19.35 Favored 'Trans proline' 1 C--N 1.43 4.816 0 C-N-CA 123.393 2.729 . . . . 0.0 116.367 177.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -104.43 28.24 7.12 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 126.617 1.967 . . . . 0.0 114.369 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -75.82 108.36 8.63 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.7 100.55 11.54 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-N 120.327 1.421 . . . . 0.0 112.766 -176.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -85.19 -3.11 58.7 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-N 112.885 -1.961 . . . . 0.0 113.868 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -80.27 -30.55 38.39 Favored 'General case' 0 C--N 1.377 1.792 0 C-N-CA 122.991 0.517 . . . . 0.0 111.672 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.53 -1.29 44.32 Favored 'General case' 0 C--N 1.387 2.228 0 O-C-N 123.793 0.683 . . . . 0.0 112.515 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.51 153.97 35.96 Favored 'General case' 0 C--N 1.38 1.927 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.51 105.65 9.56 Favored 'General case' 0 C--N 1.382 2.012 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 173.13 176.38 0.11 Allowed 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 112.968 -1.924 . . . . 0.0 108.908 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -83.77 -38.77 20.89 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.28 83.4 0.06 OUTLIER Glycine 0 N--CA 1.509 3.565 0 N-CA-C 119.909 2.724 . . . . 0.0 119.909 170.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.23 -23.59 2.4 Favored 'General case' 0 CA--C 1.565 1.546 0 CA-C-N 119.518 1.659 . . . . 0.0 108.398 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.537 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 74.5 ttt180 -120.03 151.96 38.22 Favored 'General case' 0 C--N 1.394 2.537 0 C-N-CA 125.959 1.703 . . . . 0.0 110.573 -178.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.21 -17.48 62.51 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 124.089 0.956 . . . . 0.0 111.428 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.537 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.23 -42.93 95.63 Favored Glycine 0 C--N 1.389 3.481 0 C-N-CA 124.37 0.986 . . . . 0.0 114.397 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -75.34 -24.43 57.35 Favored 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 124.495 1.118 . . . . 0.0 112.387 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -81.95 -30.28 31.8 Favored 'General case' 0 N--CA 1.5 2.054 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.989 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.42 -38.0 56.22 Favored 'General case' 0 C--N 1.372 1.549 0 C-N-CA 125.311 1.445 . . . . 0.0 112.507 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -31.16 70.59 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 125.36 1.464 . . . . 0.0 111.326 177.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -78.97 -29.56 43.97 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 123.555 0.742 . . . . 0.0 109.854 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.13 -38.73 69.18 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 113.822 -1.535 . . . . 0.0 111.539 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.26 -40.53 94.07 Favored 'General case' 0 N--CA 1.507 2.387 0 C-N-CA 125.083 1.353 . . . . 0.0 110.635 174.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.68 -25.85 61.4 Favored 'General case' 0 C--N 1.38 1.897 0 C-N-CA 126.677 1.991 . . . . 0.0 113.684 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.9 m -78.74 -32.24 46.63 Favored 'General case' 0 N--CA 1.501 2.116 0 C-N-CA 123.499 0.719 . . . . 0.0 110.378 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.6 tp -73.2 -41.08 64.22 Favored 'General case' 0 C--N 1.383 2.054 0 C-N-CA 125.083 1.353 . . . . 0.0 110.574 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.6 p -71.02 -31.28 67.73 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 125.348 1.459 . . . . 0.0 113.393 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -76.33 -38.36 56.05 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 123.821 0.848 . . . . 0.0 113.019 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.39 -33.79 73.57 Favored 'General case' 0 C--N 1.389 2.318 0 C-N-CA 124.394 1.078 . . . . 0.0 111.44 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -34.14 77.28 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 126.38 1.872 . . . . 0.0 111.717 176.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.38 94.64 Favored 'General case' 0 C--N 1.39 2.363 0 C-N-CA 124.251 1.02 . . . . 0.0 111.93 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.33 -27.47 67.16 Favored 'General case' 0 C--N 1.395 2.571 0 C-N-CA 124.788 1.235 . . . . 0.0 112.951 174.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 76.9 t -64.34 -40.19 88.18 Favored 'Isoleucine or valine' 0 C--N 1.382 1.986 0 C-N-CA 125.671 1.588 . . . . 0.0 108.597 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -67.63 -15.82 63.85 Favored 'General case' 0 N--CA 1.508 2.448 0 C-N-CA 126.13 1.772 . . . . 0.0 112.386 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -80.28 -38.72 30.26 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 171.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.98 30.02 3.11 Favored Glycine 0 C--N 1.38 2.976 0 N-CA-C 116.295 1.278 . . . . 0.0 116.295 171.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.13 112.54 24.06 Favored 'General case' 0 C--N 1.376 1.742 0 CA-C-O 121.906 0.86 . . . . 0.0 109.851 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.88 -27.74 64.03 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 113.16 -1.836 . . . . 0.0 112.965 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.45 -30.79 63.42 Favored 'General case' 0 CA--C 1.578 2.023 0 C-N-CA 123.415 0.686 . . . . 0.0 112.137 176.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -77.91 -22.7 49.27 Favored 'General case' 0 C--N 1.394 2.517 0 C-N-CA 124.263 1.025 . . . . 0.0 112.057 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.5 t -76.84 -48.36 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 126.168 1.787 . . . . 0.0 109.508 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.53 84.64 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 127.479 2.312 . . . . 0.0 112.512 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.92 -44.75 95.22 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 125.358 1.463 . . . . 0.0 109.086 172.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.12 -39.56 94.29 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 124.671 1.232 . . . . 0.0 111.188 174.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.36 95.05 Favored 'General case' 0 N--CA 1.513 2.721 0 C-N-CA 125.198 1.399 . . . . 0.0 112.585 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -70.19 -36.74 74.82 Favored 'General case' 0 N--CA 1.519 3.009 0 C-N-CA 126.069 1.748 . . . . 0.0 110.704 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.4 -29.48 64.97 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 125.667 1.587 . . . . 0.0 110.653 173.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.43 -45.7 65.35 Favored 'General case' 0 CA--C 1.573 1.843 0 C-N-CA 124.806 1.242 . . . . 0.0 111.781 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.29 -39.76 81.99 Favored 'General case' 0 C--N 1.387 2.235 0 C-N-CA 125.097 1.359 . . . . 0.0 112.823 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.02 -36.69 82.69 Favored 'General case' 0 C--N 1.387 2.211 0 C-N-CA 126.003 1.721 . . . . 0.0 112.082 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -74.1 -27.58 60.95 Favored 'General case' 0 C--N 1.376 1.728 0 C-N-CA 123.719 0.807 . . . . 0.0 112.627 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 80' ' ' ALA . 32.8 mt -62.95 -46.03 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.463 0 O-C-N 123.504 0.502 . . . . 0.0 109.734 175.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.71 -44.73 80.89 Favored 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 124.507 1.123 . . . . 0.0 112.182 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.77 -44.23 56.66 Favored 'General case' 0 C--N 1.378 1.832 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -177.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.58 -44.38 12.69 Favored 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -175.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -67.62 -38.67 84.24 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 123.927 0.767 . . . . 0.0 112.661 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -79.07 -39.02 34.9 Favored 'General case' 0 C--N 1.388 2.268 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -73.3 -31.19 63.89 Favored 'General case' 0 N--CA 1.514 2.768 0 CA-C-N 118.791 0.723 . . . . 0.0 110.627 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.74 -29.15 61.07 Favored 'General case' 0 C--N 1.386 2.171 0 C-N-CA 123.775 0.83 . . . . 0.0 109.372 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.26 -30.67 67.78 Favored 'General case' 0 C--N 1.412 3.299 0 C-N-CA 125.051 1.34 . . . . 0.0 114.411 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.1 p -88.66 -21.32 24.0 Favored 'General case' 0 N--CA 1.503 2.175 0 CA-C-N 119.648 1.113 . . . . 0.0 110.114 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.7 -16.84 59.4 Favored 'General case' 0 C--N 1.386 2.154 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.231 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 38.9 p -61.84 -29.28 70.07 Favored 'General case' 0 C--N 1.405 2.992 0 C-N-CA 125.717 1.607 . . . . 0.0 113.679 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.15 -30.48 71.54 Favored 'General case' 0 N--CA 1.506 2.329 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.34 -34.63 72.88 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 124.156 0.982 . . . . 0.0 110.811 176.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.414 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 2.4 ptt180 -105.54 32.59 4.2 Favored 'General case' 0 CA--C 1.585 2.302 0 C-N-CA 126.869 2.067 . . . . 0.0 113.548 -179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -123.44 0.92 8.93 Favored 'General case' 0 N--CA 1.503 2.214 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -177.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -110.9 -89.53 0.5 Allowed 'General case' 0 N--CA 1.5 2.029 0 CA-C-N 111.101 -2.772 . . . . 0.0 117.198 -175.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -110.98 -24.05 10.6 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 124.787 1.235 . . . . 0.0 110.288 -175.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 97' ' ' ARG . . . -83.08 -10.57 58.63 Favored 'General case' 0 C--N 1.366 1.297 0 CA-C-N 112.323 -2.217 . . . . 0.0 113.676 -177.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -47.09 -44.65 21.4 Favored 'General case' 0 N--CA 1.51 2.547 0 C-N-CA 126.539 1.936 . . . . 0.0 115.753 -172.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mt -73.38 -55.06 3.8 Favored Pre-proline 0 CA--C 1.6 2.883 0 CA-C-O 116.313 -1.803 . . . . 0.0 114.253 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -84.59 -3.07 9.95 Favored 'Trans proline' 1 C--N 1.446 5.706 0 C-N-CA 122.838 2.359 . . . . 0.0 116.77 177.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -119.58 2.01 13.85 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-O 119.333 -0.704 . . . . 0.0 113.852 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -92.2 -9.53 61.91 Favored Glycine 0 C--N 1.373 2.593 0 C-N-CA 123.799 0.714 . . . . 0.0 114.265 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -97.44 -27.67 14.35 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 125.01 1.324 . . . . 0.0 111.371 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.8 mt -72.92 -38.48 66.83 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 124.37 1.068 . . . . 0.0 111.554 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -71.93 -28.17 63.29 Favored 'General case' 0 C--N 1.384 2.068 0 C-N-CA 124.687 1.195 . . . . 0.0 109.287 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.29 78.75 Favored 'General case' 0 C--N 1.388 2.282 0 C-N-CA 125.586 1.554 . . . . 0.0 110.895 174.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.61 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 4.3 mpt_? -77.56 -50.47 12.51 Favored 'General case' 0 C--N 1.393 2.494 0 C-N-CA 123.607 0.763 . . . . 0.0 110.268 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mp -58.59 -61.0 2.93 Favored 'General case' 0 CA--C 1.593 2.613 0 O-C-N 124.092 0.87 . . . . 0.0 113.315 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.36 -47.63 8.64 Favored 'General case' 0 C--N 1.384 2.085 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -72.32 -36.52 68.89 Favored 'General case' 0 N--CA 1.513 2.694 0 N-CA-C 114.49 1.292 . . . . 0.0 114.49 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.61 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 7.0 m-85 -70.57 -39.22 74.03 Favored 'General case' 0 C--N 1.391 2.402 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.144 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -69.75 -35.49 75.01 Favored 'General case' 0 C--N 1.397 2.649 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -64.13 -40.92 97.21 Favored 'General case' 0 N--CA 1.523 3.218 0 C-N-CA 124.765 1.226 . . . . 0.0 113.791 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -68.63 -35.94 77.97 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 124.418 1.087 . . . . 0.0 112.281 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.51 -36.3 80.78 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 125.068 1.347 . . . . 0.0 112.148 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -64.47 -41.27 96.6 Favored 'General case' 0 N--CA 1.509 2.48 0 C-N-CA 125.435 1.494 . . . . 0.0 114.563 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -73.52 -40.16 64.25 Favored 'General case' 0 N--CA 1.507 2.394 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.29 -32.65 71.41 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 123.344 0.403 . . . . 0.0 110.252 173.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.83 -32.96 70.18 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 125.081 1.352 . . . . 0.0 112.726 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.44 -38.05 83.92 Favored 'General case' 0 C--N 1.404 2.963 0 C-N-CA 125.314 1.446 . . . . 0.0 111.557 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.75 -38.55 91.38 Favored 'General case' 0 C--N 1.392 2.438 0 O-C-N 125.064 1.478 . . . . 0.0 110.726 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -69.55 -38.38 77.43 Favored 'General case' 0 C--N 1.383 2.036 0 C-N-CA 125.158 1.383 . . . . 0.0 110.854 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -73.64 -46.3 47.59 Favored 'General case' 0 N--CA 1.511 2.611 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.03 -40.73 78.43 Favored 'General case' 0 N--CA 1.514 2.771 0 C-N-CA 124.463 1.105 . . . . 0.0 113.209 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.51 -35.33 77.33 Favored 'General case' 0 C--N 1.383 2.024 0 C-N-CA 124.369 1.068 . . . . 0.0 111.829 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 24.9 tt0 -72.74 -26.2 61.48 Favored 'General case' 0 C--N 1.384 2.099 0 CA-C-O 118.075 -0.964 . . . . 0.0 113.164 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -71.28 -53.36 14.57 Favored 'General case' 0 C--O 1.276 2.473 0 CA-C-N 119.133 0.879 . . . . 0.0 113.21 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.22 -34.41 65.89 Favored 'General case' 0 C--N 1.388 2.246 0 CA-C-N 113.661 -1.609 . . . . 0.0 112.353 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.537 ' HB3' HD22 ' A' ' 141' ' ' LEU . 70.2 m-85 -88.1 -12.02 45.36 Favored 'General case' 0 CA--C 1.575 1.933 0 C-N-CA 124.263 1.025 . . . . 0.0 113.065 178.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -63.06 -33.6 75.78 Favored 'General case' 0 N--CA 1.525 3.29 0 C-N-CA 125.011 1.325 . . . . 0.0 110.734 175.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.48 -15.85 63.89 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 125.628 1.571 . . . . 0.0 114.041 176.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -95.16 -29.06 14.74 Favored 'General case' 0 C--N 1.39 2.34 0 C-N-CA 124.336 1.055 . . . . 0.0 109.766 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 51.28 25.44 2.5 Favored 'General case' 0 N--CA 1.523 3.21 0 C-N-CA 128.305 2.642 . . . . 0.0 117.087 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.58 146.58 41.98 Favored Pre-proline 0 CA--C 1.586 2.338 0 CA-C-O 118.565 -0.731 . . . . 0.0 112.301 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.27 -12.03 12.18 Favored 'Trans proline' 1 C--N 1.43 4.851 0 C-N-CA 124.47 3.447 . . . . 0.0 118.077 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -71.24 -31.22 67.28 Favored 'General case' 0 N--CA 1.531 3.599 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -175.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 133' ' ' TYR . 0.0 OUTLIER -78.17 -30.28 49.03 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 125.824 1.65 . . . . 0.0 110.288 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.32 -32.96 70.94 Favored 'General case' 0 C--N 1.391 2.399 0 C-N-CA 124.908 1.283 . . . . 0.0 110.041 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -71.35 -33.83 69.95 Favored 'General case' 0 CA--C 1.578 2.044 0 C-N-CA 123.806 0.842 . . . . 0.0 110.768 174.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.98 -44.03 66.82 Favored 'General case' 0 N--CA 1.515 2.78 0 C-N-CA 125.273 1.429 . . . . 0.0 114.591 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 141' ' ' LEU . 3.0 mt -68.76 -42.0 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.318 0 C-N-CA 125.248 1.419 . . . . 0.0 109.852 177.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.4 m -60.86 -40.32 92.48 Favored 'General case' 0 CA--C 1.587 2.383 0 C-N-CA 125.915 1.686 . . . . 0.0 111.324 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.93 94.51 Favored 'General case' 0 N--CA 1.51 2.572 0 C-N-CA 124.933 1.293 . . . . 0.0 112.341 176.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.5 -29.37 63.56 Favored 'General case' 0 C--N 1.384 2.07 0 C-N-CA 125.194 1.398 . . . . 0.0 111.558 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -34.92 78.17 Favored 'General case' 0 C--N 1.39 2.329 0 C-N-CA 126.009 1.724 . . . . 0.0 112.641 177.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -74.6 -34.94 62.94 Favored 'General case' 0 C--N 1.389 2.296 0 C-N-CA 125.166 1.386 . . . . 0.0 109.928 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -70.44 -33.96 71.91 Favored 'General case' 0 C--N 1.387 2.209 0 C-N-CA 125.713 1.605 . . . . 0.0 112.537 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.76 -40.4 97.15 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 124.58 1.152 . . . . 0.0 109.873 174.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.0 p -77.93 -39.94 41.22 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -71.86 -35.35 69.78 Favored 'General case' 0 N--CA 1.513 2.72 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 90.7 m -72.17 -38.11 69.2 Favored 'General case' 0 C--N 1.38 1.908 0 C-N-CA 123.793 0.837 . . . . 0.0 111.295 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -37.84 88.9 Favored 'General case' 0 CA--C 1.588 2.423 0 C-N-CA 125.175 1.39 . . . . 0.0 112.768 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.8 m -71.38 -42.67 68.11 Favored 'General case' 0 CA--C 1.579 2.085 0 C-N-CA 125.258 1.423 . . . . 0.0 112.027 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.94 88.44 Favored 'General case' 0 C--N 1.38 1.93 0 C-N-CA 125.966 1.707 . . . . 0.0 113.534 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 39.3 mt -69.54 -39.6 78.64 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.264 0 C-N-CA 125.586 1.555 . . . . 0.0 110.429 176.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.51 95.02 Favored 'General case' 0 C--N 1.387 2.219 0 C-N-CA 124.728 1.211 . . . . 0.0 113.912 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.1 -39.57 86.74 Favored 'General case' 0 N--CA 1.515 2.811 0 C-N-CA 125.064 1.346 . . . . 0.0 113.453 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 13.0 p -70.3 -30.45 67.45 Favored 'General case' 0 N--CA 1.507 2.423 0 C-N-CA 124.289 1.035 . . . . 0.0 112.253 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -74.25 -26.92 60.5 Favored 'General case' 0 C--N 1.381 1.963 0 C-N-CA 124.637 1.175 . . . . 0.0 112.224 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.83 -38.16 79.66 Favored 'General case' 0 N--CA 1.515 2.805 0 C-N-CA 124.974 1.31 . . . . 0.0 112.591 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.26 -32.94 70.99 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.511 1.124 . . . . 0.0 110.18 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.8 -28.75 63.81 Favored 'General case' 0 C--N 1.388 2.256 0 C-N-CA 125.33 1.452 . . . . 0.0 111.759 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -71.79 -26.3 62.36 Favored 'General case' 0 C--N 1.384 2.074 0 C-N-CA 125.33 1.452 . . . . 0.0 113.132 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.23 -18.58 38.7 Favored 'General case' 0 CA--C 1.575 1.937 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -179.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.7 22.62 5.75 Favored 'Isoleucine or valine' 0 C--N 1.373 1.627 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 47.8 m -56.9 -40.67 76.69 Favored 'General case' 0 C--N 1.375 1.694 0 CA-C-N 113.096 -1.865 . . . . 0.0 109.915 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 . . . . . 0 N--CA 1.495 1.801 0 CA-C-N 113.881 -1.509 . . . . 0.0 111.702 -179.523 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 mtt . . . . . 0 N--CA 1.499 2.016 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -112.14 125.4 54.08 Favored 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 124.011 0.924 . . . . 0.0 111.542 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.03 133.82 25.63 Favored Pre-proline 0 N--CA 1.497 1.915 0 C-N-CA 123.928 0.891 . . . . 0.0 111.301 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -64.88 119.07 6.02 Favored 'Trans proline' 1 C--N 1.433 5.001 0 C-N-CA 123.422 2.748 . . . . 0.0 114.998 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mt -99.42 -47.58 5.09 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 123.51 0.724 . . . . 0.0 111.74 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.44 -37.23 52.06 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 125.249 1.419 . . . . 0.0 112.597 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -33.33 72.22 Favored 'General case' 0 C--N 1.379 1.873 0 C-N-CA 124.126 0.971 . . . . 0.0 110.39 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -68.49 -36.01 78.34 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 124.49 1.119 . . . . 0.0 111.675 177.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.7 m -72.96 -40.7 65.13 Favored 'General case' 0 C--N 1.38 1.925 0 C-N-CA 123.728 0.811 . . . . 0.0 110.902 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.36 -43.51 92.84 Favored 'General case' 0 C--N 1.389 2.321 0 O-C-N 124.362 1.039 . . . . 0.0 112.337 174.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -64.5 -40.43 95.63 Favored 'General case' 0 C--N 1.401 2.834 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -69.94 -36.08 75.01 Favored 'General case' 0 C--N 1.377 1.788 0 CA-C-O 117.828 -1.082 . . . . 0.0 110.755 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -63.18 -29.56 70.88 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 124.003 0.921 . . . . 0.0 111.836 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.4 t -76.08 -47.52 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.425 0 C-N-CA 125.837 1.655 . . . . 0.0 111.14 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.46 -29.18 66.8 Favored 'General case' 0 N--CA 1.506 2.327 0 CA-C-N 119.008 0.822 . . . . 0.0 111.66 175.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.5 90.68 Favored 'General case' 0 N--CA 1.514 2.768 0 C-N-CA 125.379 1.471 . . . . 0.0 110.586 172.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.91 -34.42 66.62 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 124.336 1.055 . . . . 0.0 110.884 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -59.7 -42.04 92.1 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 127.064 2.145 . . . . 0.0 111.548 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.39 -15.49 59.93 Favored 'General case' 0 N--CA 1.501 2.125 0 C-N-CA 124.999 1.319 . . . . 0.0 114.019 177.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.4 -20.16 17.3 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 124.209 1.004 . . . . 0.0 109.433 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.6 14.54 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 C-N-CA 126.911 2.084 . . . . 0.0 112.45 178.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.78 -74.23 0.47 Allowed Glycine 0 N--CA 1.493 2.441 0 CA-C-O 116.831 -2.094 . . . . 0.0 113.995 -172.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -67.11 -0.72 5.15 Favored 'Trans proline' 1 C--N 1.416 4.113 0 CA-C-N 121.734 2.767 . . . . 0.0 115.41 177.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 mt -88.49 -14.57 37.48 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 125.664 1.586 . . . . 0.0 112.6 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -60.6 -44.21 96.52 Favored 'General case' 0 N--CA 1.51 2.565 0 C-N-CA 126.905 2.082 . . . . 0.0 116.028 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.18 -33.68 13.21 Favored 'General case' 0 C--N 1.379 1.859 0 C-N-CA 124.335 1.054 . . . . 0.0 110.454 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -114.13 101.37 9.15 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 114.194 -1.366 . . . . 0.0 111.616 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -91.75 119.53 31.67 Favored 'General case' 0 N--CA 1.503 2.219 0 C-N-CA 123.346 0.659 . . . . 0.0 111.964 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -121.93 -80.87 0.63 Allowed 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.587 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.6 110.55 4.78 Favored 'General case' 0 C--N 1.383 2.059 0 C-N-CA 123.932 0.893 . . . . 0.0 110.659 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.5 m -115.95 105.75 50.77 Favored Pre-proline 0 C--N 1.388 2.251 0 CA-C-N 118.983 0.811 . . . . 0.0 110.76 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -66.12 -34.74 36.06 Favored 'Trans proline' 1 C--N 1.429 4.811 0 C-N-CA 123.851 3.034 . . . . 0.0 116.383 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -104.1 29.45 5.93 Favored 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 126.867 2.067 . . . . 0.0 114.111 -177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -53.64 108.4 0.34 Allowed 'General case' 0 N--CA 1.503 2.211 0 CA-C-O 122.926 1.346 . . . . 0.0 112.859 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.78 54.79 1.8 Allowed 'General case' 0 C--O 1.248 0.975 0 CA-C-N 112.293 -2.23 . . . . 0.0 108.683 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -87.22 -2.13 58.4 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 112.194 -2.275 . . . . 0.0 113.148 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -79.49 -15.22 58.14 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.32 1.048 . . . . 0.0 111.253 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.35 -5.46 59.15 Favored 'General case' 0 C--N 1.39 2.354 0 C-N-CA 123.928 0.891 . . . . 0.0 112.239 176.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.62 158.02 28.29 Favored 'General case' 0 C--N 1.377 1.802 0 C-N-CA 126.136 1.775 . . . . 0.0 108.046 177.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.44 108.9 14.67 Favored 'General case' 0 C--N 1.381 1.953 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.2 t -160.5 163.57 32.77 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 112.101 -2.318 . . . . 0.0 107.674 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -106.12 -26.03 11.78 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.946 0.898 . . . . 0.0 111.441 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.25 83.81 1.66 Allowed Glycine 0 N--CA 1.499 2.835 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.64 -48.18 1.16 Allowed 'General case' 0 C--N 1.377 1.797 0 CA-C-N 117.585 0.693 . . . . 0.0 109.993 -175.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.486 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 66.0 ttt180 -175.3 171.22 2.94 Favored 'General case' 0 C--N 1.407 3.099 0 C-N-CA 127.867 2.467 . . . . 0.0 111.07 -173.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.495 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 2.2 mt -67.36 -23.74 65.63 Favored 'General case' 0 N--CA 1.538 3.951 0 C-N-CA 125.099 1.36 . . . . 0.0 109.976 170.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.486 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.99 -38.16 92.48 Favored Glycine 0 N--CA 1.502 3.051 0 C-N-CA 125.839 1.685 . . . . 0.0 115.076 177.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -41.15 73.35 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 123.28 0.632 . . . . 0.0 111.807 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -62.74 -34.8 77.93 Favored 'General case' 0 N--CA 1.508 2.448 0 O-C-N 124.674 1.234 . . . . 0.0 111.647 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.72 -40.24 49.31 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.473 1.509 . . . . 0.0 114.074 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -31.16 68.43 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 125.118 1.367 . . . . 0.0 111.594 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -80.99 -29.15 35.28 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 123.871 0.868 . . . . 0.0 109.6 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.96 -38.42 66.73 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.299 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.49 -39.45 85.21 Favored 'General case' 0 CA--C 1.577 2.017 0 C-N-CA 124.95 1.3 . . . . 0.0 110.388 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -71.85 -24.63 61.72 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 126.808 2.043 . . . . 0.0 112.753 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.28 -32.04 43.53 Favored 'General case' 0 C--N 1.38 1.926 0 C-N-CA 123.5 0.72 . . . . 0.0 109.214 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.423 HD11 HD11 ' A' ' 123' ' ' LEU . 16.8 tp -72.0 -40.48 68.49 Favored 'General case' 0 C--N 1.382 2.017 0 C-N-CA 125.802 1.641 . . . . 0.0 110.774 177.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.4 p -70.42 -32.08 69.55 Favored 'General case' 0 N--CA 1.508 2.452 0 C-N-CA 125.255 1.422 . . . . 0.0 113.144 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -75.3 -33.9 61.24 Favored 'General case' 0 N--CA 1.509 2.488 0 C-N-CA 123.719 0.808 . . . . 0.0 112.899 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -71.33 -30.38 66.12 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 124.689 1.196 . . . . 0.0 111.454 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -69.46 -32.94 72.17 Favored 'General case' 0 C--N 1.385 2.135 0 C-N-CA 125.777 1.631 . . . . 0.0 111.497 176.584 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.42 -41.55 96.53 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 124.237 1.015 . . . . 0.0 110.502 177.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.71 -29.67 68.98 Favored 'General case' 0 C--N 1.394 2.514 0 C-N-CA 125.716 1.607 . . . . 0.0 115.124 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 61' ' ' GLU . 21.0 m -69.57 -30.2 44.3 Favored 'Isoleucine or valine' 0 C--N 1.394 2.529 0 CA-C-O 121.952 0.882 . . . . 0.0 111.646 178.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -70.27 -12.4 61.56 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 112.415 -2.175 . . . . 0.0 111.612 172.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -88.42 -38.19 15.26 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 107.84 -1.171 . . . . 0.0 107.84 172.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.01 35.3 1.52 Allowed Glycine 0 C--N 1.386 3.311 0 N-CA-C 116.909 1.523 . . . . 0.0 116.909 171.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.25 107.18 19.59 Favored 'General case' 0 C--N 1.374 1.643 0 CA-C-O 121.738 0.78 . . . . 0.0 109.12 177.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.32 -21.63 61.3 Favored 'General case' 0 N--CA 1.504 2.225 0 CA-C-N 113.738 -1.574 . . . . 0.0 112.599 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.5 m -71.29 -37.47 71.85 Favored 'General case' 0 CA--C 1.571 1.778 0 C-N-CA 125.169 1.388 . . . . 0.0 110.102 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.74 -22.34 58.85 Favored 'General case' 0 C--N 1.394 2.518 0 C-N-CA 124.678 1.191 . . . . 0.0 111.898 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.0 t -74.96 -50.27 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 126.473 1.909 . . . . 0.0 109.313 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.98 85.45 Favored 'General case' 0 C--N 1.379 1.855 0 C-N-CA 126.838 2.055 . . . . 0.0 113.052 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -64.39 -43.66 93.76 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 126.472 1.909 . . . . 0.0 110.442 174.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.48 -35.55 68.21 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.214 1.005 . . . . 0.0 110.81 176.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.07 92.6 Favored 'General case' 0 N--CA 1.511 2.589 0 C-N-CA 124.312 1.045 . . . . 0.0 112.594 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.79 -38.26 73.36 Favored 'General case' 0 N--CA 1.516 2.831 0 C-N-CA 125.697 1.599 . . . . 0.0 111.781 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -71.11 -29.37 65.17 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 125.512 1.525 . . . . 0.0 110.439 174.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.5 -45.54 68.66 Favored 'General case' 0 C--N 1.378 1.811 0 C-N-CA 124.226 1.01 . . . . 0.0 112.009 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.12 -40.01 82.62 Favored 'General case' 0 C--N 1.385 2.14 0 C-N-CA 124.88 1.272 . . . . 0.0 113.2 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.66 -38.07 83.27 Favored 'General case' 0 C--N 1.389 2.286 0 C-N-CA 125.864 1.665 . . . . 0.0 112.538 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -73.35 -27.49 61.52 Favored 'General case' 0 C--N 1.376 1.719 0 C-N-CA 123.882 0.873 . . . . 0.0 112.861 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 80' ' ' ALA . 33.4 mt -63.6 -45.63 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.445 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 175.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.68 -45.14 83.98 Favored 'General case' 0 N--CA 1.505 2.287 0 C-N-CA 124.446 1.098 . . . . 0.0 112.303 -178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.56 -45.5 52.99 Favored 'General case' 0 C--N 1.379 1.858 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.9 mp -85.56 -42.12 14.67 Favored 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 115.705 1.742 . . . . 0.0 115.705 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 2.1 mt-30 -67.48 -38.31 84.2 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-O 118.871 -0.585 . . . . 0.0 111.982 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -79.07 -41.51 28.55 Favored 'General case' 0 CA--C 1.586 2.343 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -71.95 -35.77 69.69 Favored 'General case' 0 N--CA 1.516 2.868 0 C-N-CA 123.489 0.716 . . . . 0.0 110.761 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.43 -29.09 62.34 Favored 'General case' 0 C--N 1.384 2.105 0 C-N-CA 124.007 0.923 . . . . 0.0 110.175 175.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.89 -35.88 77.41 Favored 'General case' 0 C--N 1.411 3.255 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -84.31 -21.16 31.1 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 119.897 1.226 . . . . 0.0 110.396 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.47 -33.28 66.9 Favored 'General case' 0 C--N 1.388 2.256 0 CA-C-N 113.948 -1.478 . . . . 0.0 112.49 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.15 -9.12 59.03 Favored 'General case' 0 C--N 1.392 2.452 0 C-N-CA 124.168 0.987 . . . . 0.0 112.779 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mt -85.22 -32.34 22.68 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -81.51 -14.88 56.41 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 174.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -114.72 41.02 2.45 Favored 'General case' 0 C--N 1.384 2.087 0 C-N-CA 127.458 2.303 . . . . 0.0 113.589 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -124.94 1.42 8.02 Favored 'General case' 0 CA--C 1.578 2.021 0 N-CA-C 104.642 -2.355 . . . . 0.0 104.642 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -99.97 -91.32 0.3 Allowed 'General case' 0 C--N 1.379 1.866 0 CA-C-N 111.833 -2.439 . . . . 0.0 117.103 -176.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -113.7 -24.91 8.93 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 125.241 1.416 . . . . 0.0 110.134 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.08 -12.79 58.05 Favored 'General case' 0 C--N 1.366 1.291 0 CA-C-N 111.842 -2.435 . . . . 0.0 114.696 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -54.98 -38.29 67.64 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -171.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mt -69.86 -52.81 12.72 Favored Pre-proline 0 CA--C 1.594 2.639 0 CA-C-O 116.403 -1.76 . . . . 0.0 113.046 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -79.63 3.32 7.64 Favored 'Trans proline' 1 C--N 1.45 5.893 0 C-N-CA 123.15 2.567 . . . . 0.0 114.786 173.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -162.55 92.57 0.11 Allowed Glycine 0 C--N 1.357 1.701 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -178.07 -41.52 0.07 OUTLIER Glycine 0 N--CA 1.471 0.985 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -69.19 -34.7 75.32 Favored 'General case' 0 N--CA 1.507 2.403 0 C-N-CA 125.861 1.664 . . . . 0.0 110.615 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 72.8 mt -71.04 -28.68 64.56 Favored 'General case' 0 C--N 1.384 2.1 0 C-N-CA 126.366 1.866 . . . . 0.0 111.684 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -69.31 -33.3 72.96 Favored 'General case' 0 C--N 1.379 1.891 0 C-N-CA 124.6 1.16 . . . . 0.0 110.957 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.17 -38.29 87.71 Favored 'General case' 0 C--N 1.393 2.469 0 C-N-CA 126.083 1.753 . . . . 0.0 111.164 174.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 7.5 mpt_? -71.88 -48.78 43.38 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 124.438 1.095 . . . . 0.0 111.029 175.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.95 -60.84 2.91 Favored 'General case' 0 CA--C 1.604 3.031 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.67 -43.3 18.72 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 41.8 mt-10 -72.15 -32.65 67.08 Favored 'General case' 0 N--CA 1.51 2.525 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.493 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.0 m-85 -67.2 -40.0 86.42 Favored 'General case' 0 C--N 1.394 2.509 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.693 177.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -66.5 -39.33 88.66 Favored 'General case' 0 C--N 1.393 2.472 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.63 -42.59 86.5 Favored 'General case' 0 N--CA 1.522 3.168 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -69.61 -36.51 76.25 Favored 'General case' 0 N--CA 1.507 2.379 0 C-N-CA 124.324 1.05 . . . . 0.0 112.387 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -70.96 -27.73 63.95 Favored 'General case' 0 C--N 1.38 1.928 0 C-N-CA 124.952 1.301 . . . . 0.0 112.078 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -66.6 -45.55 78.82 Favored 'General case' 0 N--CA 1.506 2.36 0 C-N-CA 125.643 1.577 . . . . 0.0 114.33 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -72.88 -39.24 66.6 Favored 'General case' 0 N--CA 1.511 2.621 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 176.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.24 -33.16 71.9 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 123.779 0.674 . . . . 0.0 110.354 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.423 HD11 HD11 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -70.83 -33.9 71.14 Favored 'General case' 0 C--N 1.38 1.9 0 C-N-CA 125.111 1.364 . . . . 0.0 112.535 175.869 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.75 92.04 Favored 'General case' 0 C--N 1.41 3.196 0 C-N-CA 125.61 1.564 . . . . 0.0 111.639 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.38 -38.96 92.87 Favored 'General case' 0 C--N 1.388 2.26 0 O-C-N 125.081 1.488 . . . . 0.0 110.42 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -69.5 -36.51 76.56 Favored 'General case' 0 C--N 1.388 2.265 0 C-N-CA 124.863 1.265 . . . . 0.0 110.361 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -65.54 -37.74 87.59 Favored 'General case' 0 C--N 1.398 2.691 0 C-N-CA 125.12 1.368 . . . . 0.0 114.341 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.12 -40.01 82.62 Favored 'General case' 0 N--CA 1.509 2.492 0 C-N-CA 124.297 1.039 . . . . 0.0 111.614 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -76.04 -23.01 55.09 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 124.579 1.152 . . . . 0.0 112.532 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -71.92 -34.62 69.23 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 125.534 1.533 . . . . 0.0 111.021 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -66.92 -39.19 87.3 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 124.94 1.296 . . . . 0.0 110.385 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -69.41 -36.55 76.83 Favored 'General case' 0 C--N 1.389 2.303 0 C-N-CA 125.125 1.37 . . . . 0.0 111.894 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -69.23 -35.69 76.42 Favored 'General case' 0 C--N 1.394 2.533 0 C-N-CA 124.765 1.226 . . . . 0.0 111.748 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.6 91.67 Favored 'General case' 0 CA--C 1.571 1.757 0 C-N-CA 125.174 1.39 . . . . 0.0 113.43 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -90.51 -39.31 12.66 Favored 'General case' 0 C--N 1.385 2.143 0 N-CA-C 116.312 1.967 . . . . 0.0 116.312 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -107.39 -30.33 8.74 Favored 'General case' 0 C--N 1.395 2.56 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -174.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 39.6 m80 56.35 28.4 13.42 Favored 'General case' 0 N--CA 1.531 3.601 0 C-N-CA 127.444 2.297 . . . . 0.0 116.349 -178.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.16 142.23 59.06 Favored Pre-proline 0 N--CA 1.503 2.189 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.49 -14.44 35.19 Favored 'Trans proline' 1 C--N 1.435 5.124 0 C-N-CA 124.199 3.266 . . . . 0.0 116.619 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -69.34 -37.53 77.71 Favored 'General case' 0 N--CA 1.529 3.48 0 C-N-CA 124.653 1.181 . . . . 0.0 113.218 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -29.74 47.62 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 126.505 1.922 . . . . 0.0 109.858 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.53 76.14 Favored 'General case' 0 C--N 1.377 1.803 0 C-N-CA 126.801 2.041 . . . . 0.0 110.108 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.02 -34.06 72.79 Favored 'General case' 0 C--N 1.379 1.881 0 C-N-CA 124.223 1.009 . . . . 0.0 110.644 173.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.27 -42.55 65.44 Favored 'General case' 0 N--CA 1.512 2.654 0 C-N-CA 125.311 1.444 . . . . 0.0 114.538 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.7 mt -67.56 -42.72 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.282 0 C-N-CA 125.082 1.353 . . . . 0.0 109.117 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.5 m -62.54 -42.09 99.31 Favored 'General case' 0 CA--C 1.589 2.454 0 C-N-CA 125.945 1.698 . . . . 0.0 111.467 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.46 94.79 Favored 'General case' 0 N--CA 1.514 2.741 0 C-N-CA 124.687 1.195 . . . . 0.0 112.131 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 22.9 mt -72.67 -27.62 62.21 Favored 'General case' 0 C--N 1.38 1.915 0 C-N-CA 125.156 1.383 . . . . 0.0 111.882 176.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -35.5 81.06 Favored 'General case' 0 C--N 1.392 2.425 0 C-N-CA 125.874 1.669 . . . . 0.0 112.182 177.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -75.28 -35.94 61.26 Favored 'General case' 0 C--N 1.389 2.32 0 C-N-CA 124.563 1.145 . . . . 0.0 109.994 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -71.12 -34.86 71.46 Favored 'General case' 0 C--N 1.387 2.196 0 C-N-CA 125.53 1.532 . . . . 0.0 112.744 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.37 -38.36 90.75 Favored 'General case' 0 C--N 1.379 1.864 0 C-N-CA 124.876 1.27 . . . . 0.0 109.985 174.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.3 p -76.9 -37.92 54.51 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 123.841 0.713 . . . . 0.0 112.377 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -71.28 -33.99 70.27 Favored 'General case' 0 N--CA 1.514 2.77 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 78.5 m -71.25 -38.78 71.91 Favored 'General case' 0 C--N 1.386 2.179 0 C-N-CA 123.935 0.894 . . . . 0.0 110.771 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -59.88 -37.15 78.52 Favored 'General case' 0 C--N 1.396 2.589 0 C-N-CA 125.772 1.629 . . . . 0.0 112.384 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 14.1 m -67.95 -40.52 83.22 Favored 'General case' 0 CA--C 1.58 2.134 0 C-N-CA 125.529 1.532 . . . . 0.0 110.515 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.25 -37.36 80.69 Favored 'General case' 0 C--N 1.381 1.947 0 C-N-CA 126.266 1.826 . . . . 0.0 112.677 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 34.3 mt -67.31 -41.75 86.84 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.01 0 C-N-CA 126.391 1.877 . . . . 0.0 110.091 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.64 97.45 Favored 'General case' 0 C--N 1.388 2.273 0 C-N-CA 124.771 1.228 . . . . 0.0 113.551 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.53 -39.66 85.04 Favored 'General case' 0 N--CA 1.515 2.782 0 C-N-CA 125.151 1.38 . . . . 0.0 113.585 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 14.8 p -71.38 -32.39 68.43 Favored 'General case' 0 N--CA 1.509 2.523 0 C-N-CA 124.436 1.095 . . . . 0.0 112.085 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -71.96 -29.09 63.9 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 124.673 1.189 . . . . 0.0 111.583 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.82 -32.13 70.4 Favored 'General case' 0 N--CA 1.512 2.632 0 C-N-CA 125.208 1.403 . . . . 0.0 112.088 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.17 72.39 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 124.936 1.294 . . . . 0.0 111.448 175.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 2.1 mp -78.22 -32.31 49.76 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 125.743 1.617 . . . . 0.0 112.044 177.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -71.57 -30.86 66.33 Favored 'General case' 0 N--CA 1.515 2.796 0 C-N-CA 126.158 1.783 . . . . 0.0 113.664 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -51.78 -45.11 63.67 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 127.955 2.502 . . . . 0.0 113.853 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -105.96 -165.64 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.693 0 C-N-CA 126.103 1.761 . . . . 0.0 108.204 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.52 36.06 2.27 Favored 'General case' 0 CA--C 1.564 1.503 0 CA-C-O 122.896 1.331 . . . . 0.0 107.71 173.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 . . . . . 0 N--CA 1.522 3.175 0 CA-C-N 111.912 -2.404 . . . . 0.0 113.584 177.447 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtt . . . . . 0 N--CA 1.496 1.87 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -110.76 120.57 42.82 Favored 'General case' 0 C--N 1.381 1.943 0 C-N-CA 123.684 0.793 . . . . 0.0 112.166 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.36 -52.84 0.04 OUTLIER Pre-proline 0 CA--C 1.586 2.333 0 CA-C-O 116.247 -1.835 . . . . 0.0 111.697 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -64.86 -21.34 64.42 Favored 'Trans proline' 1 C--N 1.454 6.115 0 C-N-CA 123.42 2.747 . . . . 0.0 116.85 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.96 -35.24 24.13 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 123.957 0.903 . . . . 0.0 111.548 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -36.21 53.57 Favored 'General case' 0 C--N 1.375 1.695 0 C-N-CA 125.338 1.455 . . . . 0.0 112.154 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -29.9 65.6 Favored 'General case' 0 C--N 1.378 1.847 0 C-N-CA 124.387 1.075 . . . . 0.0 110.295 177.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -65.52 -40.79 93.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 124.736 1.272 . . . . 0.0 111.75 176.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -70.08 -40.66 74.85 Favored 'General case' 0 C--N 1.387 2.209 0 C-N-CA 123.806 0.842 . . . . 0.0 110.984 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.33 -44.63 88.75 Favored 'General case' 0 C--N 1.386 2.164 0 O-C-N 124.409 1.068 . . . . 0.0 112.073 173.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -66.17 -39.28 89.64 Favored 'General case' 0 C--N 1.399 2.733 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -70.12 -38.73 75.64 Favored 'General case' 0 C--N 1.378 1.814 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.701 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -61.45 -32.87 72.86 Favored 'General case' 0 N--CA 1.503 2.189 0 C-N-CA 124.101 0.96 . . . . 0.0 111.756 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.2 t -75.12 -46.31 39.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 C-N-CA 125.526 1.53 . . . . 0.0 111.486 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -29.02 66.97 Favored 'General case' 0 N--CA 1.507 2.407 0 C-N-CA 124.058 0.943 . . . . 0.0 111.541 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.49 -39.54 81.27 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 125.609 1.564 . . . . 0.0 110.928 171.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.92 -39.19 69.65 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 124.612 1.165 . . . . 0.0 111.18 178.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -61.07 -38.59 86.77 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 126.973 2.109 . . . . 0.0 112.185 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.94 -30.76 67.15 Favored 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 123.421 0.688 . . . . 0.0 112.277 176.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.4 mp -79.33 -22.46 44.5 Favored 'General case' 0 N--CA 1.505 2.322 0 C-N-CA 125.636 1.574 . . . . 0.0 112.588 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.416 ' O ' HG22 ' A' ' 21' ' ' ILE . 38.7 mt -109.33 16.8 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.271 0 C-N-CA 128.089 2.556 . . . . 0.0 108.011 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.67 -76.03 0.33 Allowed Glycine 0 C--N 1.368 2.313 0 CA-C-O 116.835 -2.092 . . . . 0.0 113.786 -175.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -67.99 -2.1 8.15 Favored 'Trans proline' 0 C--N 1.412 3.914 0 CA-C-N 122.2 3.0 . . . . 0.0 116.842 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.64 -20.41 27.87 Favored 'General case' 0 N--CA 1.51 2.551 0 C-N-CA 125.201 1.4 . . . . 0.0 112.501 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.48 94.38 Favored 'General case' 0 N--CA 1.508 2.462 0 C-N-CA 128.257 2.623 . . . . 0.0 116.602 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -91.33 -20.67 21.61 Favored 'General case' 0 C--N 1.386 2.178 0 C-N-CA 124.986 1.315 . . . . 0.0 111.878 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -82.14 160.49 23.1 Favored 'General case' 0 N--CA 1.504 2.265 0 C-N-CA 124.711 1.204 . . . . 0.0 112.636 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.5 -28.49 67.05 Favored 'General case' 0 N--CA 1.514 2.731 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -85.09 130.74 34.56 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 123.945 0.898 . . . . 0.0 112.006 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -100.81 157.98 16.31 Favored 'General case' 0 CA--C 1.574 1.875 0 C-N-CA 124.085 0.954 . . . . 0.0 113.268 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 m -98.19 129.08 31.57 Favored Pre-proline 0 C--N 1.391 2.409 0 C-N-CA 123.821 0.848 . . . . 0.0 112.747 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -66.76 -10.84 29.64 Favored 'Trans proline' 1 C--N 1.433 4.985 0 C-N-CA 124.137 3.225 . . . . 0.0 116.704 178.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -105.56 4.97 30.96 Favored 'General case' 0 CA--C 1.578 2.031 0 C-N-CA 124.509 1.124 . . . . 0.0 112.67 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.36 112.05 6.38 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.27 1.028 . . . . 0.0 108.393 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.82 88.12 6.09 Favored 'General case' 0 C--N 1.371 1.514 0 C-N-CA 118.049 -1.461 . . . . 0.0 109.287 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -82.71 6.3 18.47 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 113.583 -1.644 . . . . 0.0 113.827 -176.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -79.62 -26.71 41.11 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 123.862 0.865 . . . . 0.0 110.454 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mt -100.03 -6.52 26.34 Favored 'General case' 0 C--N 1.391 2.412 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -119.43 155.26 32.35 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.57 109.16 13.43 Favored 'General case' 0 C--N 1.386 2.157 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.8 t -152.71 138.37 17.83 Favored 'General case' 0 C--O 1.252 1.218 0 CA-C-N 113.758 -1.564 . . . . 0.0 108.901 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -82.6 -31.52 28.87 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 113.927 -1.488 . . . . 0.0 112.889 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.84 79.3 1.33 Allowed Glycine 0 C--N 1.378 2.887 0 N-CA-C 107.557 -2.217 . . . . 0.0 107.557 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.9 -52.8 1.33 Allowed 'General case' 0 C--N 1.38 1.907 0 CA-C-O 121.083 0.468 . . . . 0.0 110.197 -173.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 45.4 ttt180 -175.88 173.18 2.34 Favored 'General case' 0 C--N 1.412 3.313 0 C-N-CA 126.891 2.076 . . . . 0.0 112.448 -174.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.02 -22.03 64.09 Favored 'General case' 0 N--CA 1.535 3.795 0 C-N-CA 125.779 1.632 . . . . 0.0 107.758 169.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.43 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.92 -34.39 78.24 Favored Glycine 0 C--N 1.38 2.99 0 C-N-CA 126.815 2.15 . . . . 0.0 114.443 176.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -21.07 57.79 Favored 'General case' 0 C--N 1.393 2.479 0 CA-C-N 117.65 0.725 . . . . 0.0 111.462 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -82.36 -31.88 29.57 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 114.495 -1.229 . . . . 0.0 110.764 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.44 -35.02 58.73 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 124.8 1.24 . . . . 0.0 111.707 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.45 -38.38 74.48 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 125.289 1.436 . . . . 0.0 111.176 176.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.32 -32.16 68.26 Favored 'General case' 0 C--N 1.388 2.281 0 C-N-CA 123.45 0.7 . . . . 0.0 111.604 177.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.04 71.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 125.229 1.581 . . . . 0.0 111.759 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.09 -36.41 72.19 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 123.389 0.676 . . . . 0.0 111.579 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -72.36 -26.28 61.85 Favored 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 125.59 1.556 . . . . 0.0 112.473 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.9 m -80.32 -29.32 38.09 Favored 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 123.799 0.84 . . . . 0.0 109.751 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mp -73.23 -41.99 63.09 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 125.268 1.427 . . . . 0.0 111.023 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.7 p -72.57 -34.98 67.84 Favored 'General case' 0 N--CA 1.506 2.354 0 C-N-CA 125.687 1.595 . . . . 0.0 113.608 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -77.25 -36.66 54.27 Favored 'General case' 0 N--CA 1.51 2.527 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.03 -30.77 65.52 Favored 'General case' 0 C--N 1.389 2.293 0 C-N-CA 124.811 1.244 . . . . 0.0 111.918 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.5 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -68.79 -32.94 73.03 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 125.684 1.593 . . . . 0.0 111.965 176.447 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.75 -41.07 92.59 Favored 'General case' 0 C--N 1.382 2.01 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.748 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.72 -29.82 70.4 Favored 'General case' 0 C--N 1.395 2.553 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 175.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 61' ' ' GLU . 17.2 m -69.28 -30.71 46.94 Favored 'Isoleucine or valine' 0 C--N 1.391 2.405 0 CA-C-O 121.927 0.87 . . . . 0.0 111.331 178.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -74.62 -9.99 59.1 Favored 'General case' 0 CA--C 1.579 2.06 0 CA-C-N 112.462 -2.154 . . . . 0.0 111.52 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -94.48 -10.17 33.16 Favored 'General case' 0 N--CA 1.5 2.066 0 C-N-CA 125.233 1.413 . . . . 0.0 110.779 175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.65 39.3 8.28 Favored Glycine 0 C--N 1.38 3.007 0 N-CA-C 117.487 1.755 . . . . 0.0 117.487 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.28 93.9 5.06 Favored 'General case' 0 C--N 1.372 1.583 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 176.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.98 -22.42 61.43 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 113.535 -1.666 . . . . 0.0 112.3 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.5 m -70.52 -35.5 73.22 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 125.459 1.504 . . . . 0.0 109.811 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -76.23 -20.97 56.94 Favored 'General case' 0 C--N 1.391 2.407 0 C-N-CA 123.681 0.792 . . . . 0.0 111.603 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.9 t -74.48 -51.13 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 C-N-CA 126.54 1.936 . . . . 0.0 109.407 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.01 80.13 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 126.947 2.099 . . . . 0.0 112.71 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -46.24 87.35 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.151 1.38 . . . . 0.0 109.292 173.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.25 -39.01 92.11 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 124.589 1.18 . . . . 0.0 111.831 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.45 95.54 Favored 'General case' 0 N--CA 1.513 2.711 0 C-N-CA 124.487 1.115 . . . . 0.0 112.105 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.16 -37.92 75.32 Favored 'General case' 0 N--CA 1.516 2.829 0 C-N-CA 126.324 1.849 . . . . 0.0 111.366 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -72.0 -28.81 63.65 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 125.461 1.504 . . . . 0.0 110.714 174.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.91 -46.38 65.52 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 124.452 1.101 . . . . 0.0 111.693 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.517 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.05 -39.12 83.11 Favored 'General case' 0 C--N 1.386 2.186 0 C-N-CA 124.847 1.259 . . . . 0.0 112.669 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.41 85.89 Favored 'General case' 0 C--N 1.385 2.112 0 C-N-CA 125.999 1.72 . . . . 0.0 112.368 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -73.81 -27.35 61.08 Favored 'General case' 0 C--N 1.378 1.827 0 C-N-CA 123.779 0.832 . . . . 0.0 112.743 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 80' ' ' ALA . 29.7 mt -62.94 -45.67 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.75 -43.09 94.42 Favored 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 124.893 1.277 . . . . 0.0 111.872 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.29 -42.77 62.03 Favored 'General case' 0 C--N 1.378 1.832 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.06 -44.52 12.22 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -175.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 10.4 mt-30 -66.69 -39.58 88.15 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 123.63 0.581 . . . . 0.0 112.115 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.33 -39.86 31.72 Favored 'General case' 0 C--N 1.386 2.167 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -76.35 -29.39 57.21 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 119.084 0.856 . . . . 0.0 110.841 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.36 -26.67 55.91 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 124.192 0.997 . . . . 0.0 109.129 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.39 -31.93 67.85 Favored 'General case' 0 C--N 1.41 3.221 0 C-N-CA 124.393 1.077 . . . . 0.0 113.117 177.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.7 p -85.58 -21.65 28.41 Favored 'General case' 0 C--N 1.382 1.989 0 CA-C-N 119.131 0.878 . . . . 0.0 110.07 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.96 -29.18 55.46 Favored 'General case' 0 C--N 1.386 2.184 0 CA-C-N 113.939 -1.482 . . . . 0.0 112.113 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 p -77.32 -10.86 59.7 Favored 'General case' 0 N--CA 1.515 2.825 0 C-N-CA 125.942 1.697 . . . . 0.0 112.281 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.2 tt -85.35 -29.6 24.34 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 127.532 2.333 . . . . 0.0 109.657 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -76.87 -0.56 24.57 Favored 'General case' 0 CA--C 1.569 1.709 0 C-N-CA 124.138 0.975 . . . . 0.0 111.568 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -71.18 -10.44 59.76 Favored 'General case' 0 N--CA 1.523 3.218 0 C-N-CA 126.551 1.94 . . . . 0.0 112.126 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -58.16 -42.94 87.04 Favored 'General case' 0 CA--C 1.571 1.773 0 CA-C-N 109.698 -3.41 . . . . 0.0 105.702 168.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -151.46 -42.4 0.11 Allowed 'General case' 1 N--CA 1.541 4.078 0 N-CA-C 119.978 3.325 . . . . 0.0 119.978 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -102.82 -19.22 14.77 Favored 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -173.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.91 -24.54 21.3 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -72.16 -56.6 5.3 Favored 'General case' 0 C--N 1.384 2.106 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -172.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.3 -39.41 27.13 Favored Pre-proline 0 N--CA 1.505 2.32 0 N-CA-C 120.003 3.334 . . . . 0.0 120.003 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.76 -24.53 68.68 Favored 'Trans proline' 1 C--N 1.447 5.757 0 CA-C-N 125.129 2.868 . . . . 0.0 114.697 -178.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -127.28 -112.78 1.76 Allowed Glycine 0 N--CA 1.423 -2.231 0 CA-C-N 113.503 -1.68 . . . . 0.0 113.075 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 102.04 -22.03 39.58 Favored Glycine 0 N--CA 1.481 1.672 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 -175.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -121.35 -20.01 6.81 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 127.823 2.449 . . . . 0.0 110.093 177.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.94 -38.65 86.54 Favored 'General case' 0 C--N 1.403 2.905 0 C-N-CA 123.992 0.917 . . . . 0.0 112.522 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -67.62 -35.38 78.82 Favored 'General case' 0 N--CA 1.501 2.104 0 C-N-CA 125.4 1.48 . . . . 0.0 109.794 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -67.92 -36.57 80.38 Favored 'General case' 0 C--N 1.388 2.276 0 C-N-CA 125.873 1.669 . . . . 0.0 111.651 174.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.527 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 5.2 mpt_? -74.28 -49.34 23.53 Favored 'General case' 0 C--N 1.375 1.702 0 C-N-CA 123.537 0.735 . . . . 0.0 111.253 176.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.45 -60.04 4.12 Favored 'General case' 0 CA--C 1.599 2.836 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.08 -42.63 18.94 Favored 'General case' 0 C--N 1.384 2.093 0 N-CA-C 116.704 2.113 . . . . 0.0 116.704 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 42.4 mt-10 -72.23 -33.82 67.86 Favored 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.527 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 5.3 m-85 -66.28 -41.93 89.13 Favored 'General case' 0 C--N 1.393 2.463 0 CA-C-O 118.549 -0.739 . . . . 0.0 112.07 177.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -71.1 -30.97 67.21 Favored 'General case' 0 C--N 1.394 2.525 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.93 -42.04 73.8 Favored 'General case' 0 N--CA 1.521 3.085 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -71.64 -35.22 70.33 Favored 'General case' 0 N--CA 1.507 2.412 0 C-N-CA 124.366 1.066 . . . . 0.0 112.039 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 28.3 mt-10 -73.2 -22.21 60.51 Favored 'General case' 0 C--N 1.383 2.058 0 C-N-CA 125.106 1.362 . . . . 0.0 111.961 177.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -69.12 -50.72 45.47 Favored 'General case' 0 N--CA 1.506 2.375 0 C-N-CA 125.905 1.682 . . . . 0.0 113.56 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.23 -37.92 69.05 Favored 'General case' 0 N--CA 1.509 2.484 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 152' ' ' LEU . 20.4 mt -61.13 -33.52 73.52 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 123.646 0.591 . . . . 0.0 110.543 174.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -70.35 -34.28 72.45 Favored 'General case' 0 C--N 1.379 1.877 0 C-N-CA 125.03 1.332 . . . . 0.0 111.917 175.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.74 90.19 Favored 'General case' 0 C--N 1.408 3.11 0 C-N-CA 125.688 1.595 . . . . 0.0 112.611 -177.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.4 mtt -64.16 -39.73 94.62 Favored 'General case' 0 C--N 1.389 2.302 0 O-C-N 124.878 1.361 . . . . 0.0 110.482 176.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -69.04 -37.3 78.51 Favored 'General case' 0 C--N 1.385 2.119 0 C-N-CA 125.014 1.326 . . . . 0.0 110.974 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -65.03 -38.68 91.68 Favored 'General case' 0 C--N 1.4 2.762 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.81 -39.48 80.04 Favored 'General case' 0 N--CA 1.509 2.501 0 C-N-CA 124.415 1.086 . . . . 0.0 111.546 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -74.16 -24.83 59.46 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 124.764 1.225 . . . . 0.0 112.315 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -71.94 -34.46 69.03 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 125.59 1.556 . . . . 0.0 111.176 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -67.0 -38.64 86.36 Favored 'General case' 0 C--N 1.388 2.252 0 C-N-CA 125.129 1.372 . . . . 0.0 110.444 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -72.22 -32.86 67.14 Favored 'General case' 0 C--N 1.387 2.238 0 C-N-CA 124.673 1.189 . . . . 0.0 111.993 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -69.41 -37.06 77.31 Favored 'General case' 0 C--N 1.391 2.41 0 C-N-CA 124.794 1.238 . . . . 0.0 111.395 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.46 86.54 Favored 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 125.323 1.449 . . . . 0.0 113.418 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -90.71 -39.63 12.32 Favored 'General case' 0 C--N 1.387 2.231 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -106.97 -29.88 9.18 Favored 'General case' 0 C--N 1.398 2.677 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -174.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 56.48 26.94 11.47 Favored 'General case' 0 N--CA 1.532 3.671 0 C-N-CA 127.594 2.358 . . . . 0.0 116.468 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.74 137.72 58.3 Favored Pre-proline 0 N--CA 1.503 2.208 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.4 -14.33 15.79 Favored 'Trans proline' 1 C--N 1.436 5.14 0 C-N-CA 124.709 3.606 . . . . 0.0 116.776 177.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -68.45 -37.92 80.65 Favored 'General case' 0 N--CA 1.527 3.402 0 C-N-CA 124.341 1.056 . . . . 0.0 113.294 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -78.09 -29.19 48.92 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 126.887 2.075 . . . . 0.0 110.002 -179.194 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.8 77.97 Favored 'General case' 0 C--N 1.378 1.807 0 C-N-CA 126.671 1.988 . . . . 0.0 110.045 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.7 -33.52 70.97 Favored 'General case' 0 C--N 1.381 1.969 0 C-N-CA 124.138 0.975 . . . . 0.0 110.82 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -72.12 -42.65 65.81 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 125.107 1.363 . . . . 0.0 114.264 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.1 mt -66.32 -43.32 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.22 0 C-N-CA 125.629 1.571 . . . . 0.0 109.06 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 23.0 m -63.12 -41.0 99.24 Favored 'General case' 0 CA--C 1.59 2.505 0 C-N-CA 126.026 1.73 . . . . 0.0 111.43 177.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.18 93.43 Favored 'General case' 0 N--CA 1.513 2.69 0 C-N-CA 124.655 1.182 . . . . 0.0 112.165 175.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.28 -26.39 60.17 Favored 'General case' 0 C--N 1.381 1.976 0 C-N-CA 124.774 1.23 . . . . 0.0 111.845 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.06 -37.36 87.17 Favored 'General case' 0 C--N 1.394 2.517 0 C-N-CA 125.999 1.719 . . . . 0.0 112.425 176.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -75.09 -35.13 61.8 Favored 'General case' 0 C--N 1.389 2.291 0 C-N-CA 124.874 1.27 . . . . 0.0 110.091 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -71.51 -33.66 69.43 Favored 'General case' 0 C--N 1.385 2.123 0 C-N-CA 125.093 1.357 . . . . 0.0 113.121 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -66.94 -38.13 85.58 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 124.923 1.289 . . . . 0.0 109.934 174.89 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.5 p -76.6 -37.07 57.03 Favored 'General case' 0 N--CA 1.5 2.065 0 C-N-CA 123.38 0.672 . . . . 0.0 112.303 176.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -73.0 -28.33 62.3 Favored 'General case' 0 N--CA 1.512 2.673 0 C-N-CA 124.139 0.976 . . . . 0.0 113.177 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 8.7 t -73.24 -41.03 64.18 Favored 'General case' 0 C--N 1.384 2.107 0 C-N-CA 123.994 0.918 . . . . 0.0 109.35 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -59.53 -38.0 79.85 Favored 'General case' 0 C--N 1.394 2.514 0 C-N-CA 125.487 1.515 . . . . 0.0 112.257 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.4 m -68.93 -41.37 78.21 Favored 'General case' 0 CA--C 1.58 2.13 0 C-N-CA 125.422 1.489 . . . . 0.0 110.565 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.52 -38.37 84.17 Favored 'General case' 0 C--N 1.38 1.92 0 C-N-CA 126.326 1.851 . . . . 0.0 112.859 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 37.1 mt -66.51 -42.14 89.66 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.898 0 C-N-CA 126.268 1.827 . . . . 0.0 110.12 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.11 93.66 Favored 'General case' 0 C--N 1.391 2.384 0 C-N-CA 124.627 1.171 . . . . 0.0 112.924 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.85 -39.32 87.56 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 125.435 1.494 . . . . 0.0 112.981 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 18.0 p -70.99 -29.76 65.82 Favored 'General case' 0 N--CA 1.511 2.581 0 C-N-CA 124.304 1.042 . . . . 0.0 112.033 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.41 -28.59 63.07 Favored 'General case' 0 C--N 1.381 1.978 0 C-N-CA 124.861 1.264 . . . . 0.0 111.538 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.82 -35.35 76.87 Favored 'General case' 0 N--CA 1.512 2.667 0 C-N-CA 125.227 1.411 . . . . 0.0 111.92 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.31 72.19 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 124.713 1.205 . . . . 0.0 110.211 175.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.03 -30.17 63.54 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 125.501 1.52 . . . . 0.0 111.934 176.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -66.79 -35.13 79.37 Favored 'General case' 0 N--CA 1.508 2.443 0 C-N-CA 126.245 1.818 . . . . 0.0 112.897 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -76.28 -16.49 59.78 Favored 'General case' 0 C--N 1.383 2.029 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.13 -1.71 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 CA-C-N 119.102 0.864 . . . . 0.0 110.097 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 16.8 m -92.96 -16.76 24.75 Favored 'General case' 0 CA--C 1.575 1.925 0 C-N-CA 126.109 1.764 . . . . 0.0 111.052 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.861 -1.066 . . . . 0.0 111.371 -175.943 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtt . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 119.267 -0.397 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 58.84 67.62 0.91 Allowed 'General case' 0 N--CA 1.53 3.555 0 C-N-CA 127.126 2.17 . . . . 0.0 113.479 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.8 103.76 55.05 Favored Pre-proline 0 CA--C 1.575 1.916 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.957 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -60.88 121.12 9.21 Favored 'Trans proline' 1 C--N 1.43 4.823 0 C-N-CA 123.931 3.087 . . . . 0.0 114.632 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.74 -48.25 4.78 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 123.623 0.769 . . . . 0.0 112.063 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -36.91 59.51 Favored 'General case' 0 C--N 1.377 1.773 0 C-N-CA 125.112 1.365 . . . . 0.0 112.585 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.83 -32.46 70.88 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 124.448 1.099 . . . . 0.0 110.14 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -68.22 -35.83 78.57 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 124.341 1.025 . . . . 0.0 111.467 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.6 m -72.44 -41.23 66.37 Favored 'General case' 0 C--N 1.383 2.037 0 C-N-CA 123.811 0.844 . . . . 0.0 110.972 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.29 -44.55 88.54 Favored 'General case' 0 C--N 1.389 2.306 0 O-C-N 124.333 1.021 . . . . 0.0 112.244 173.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -65.21 -39.79 93.26 Favored 'General case' 0 C--N 1.399 2.721 0 C-N-CA 125.159 1.384 . . . . 0.0 114.648 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -69.66 -38.22 77.01 Favored 'General case' 0 C--N 1.376 1.743 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.588 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.07 -29.3 70.21 Favored 'General case' 0 N--CA 1.509 2.522 0 C-N-CA 124.37 1.068 . . . . 0.0 112.292 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.7 t -76.67 -46.66 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.407 0 C-N-CA 125.306 1.442 . . . . 0.0 110.999 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.82 -29.95 67.34 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 123.642 0.777 . . . . 0.0 111.512 176.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.77 -39.62 87.93 Favored 'General case' 0 N--CA 1.512 2.67 0 C-N-CA 125.9 1.68 . . . . 0.0 110.436 172.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -34.98 68.71 Favored 'General case' 0 C--N 1.38 1.928 0 C-N-CA 124.361 1.064 . . . . 0.0 110.84 177.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -60.66 -41.28 94.69 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 127.109 2.164 . . . . 0.0 111.568 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.51 -15.76 58.25 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 124.827 1.251 . . . . 0.0 114.097 178.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.7 -17.13 18.72 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 125.217 1.407 . . . . 0.0 109.547 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.33 16.56 7.96 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.63 0 C-N-CA 126.702 2.001 . . . . 0.0 111.011 177.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.69 -75.46 0.45 Allowed Glycine 0 C--N 1.367 2.298 0 CA-C-O 116.575 -2.236 . . . . 0.0 113.857 -172.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -68.84 -3.15 10.8 Favored 'Trans proline' 1 C--N 1.421 4.362 0 CA-C-N 122.447 3.124 . . . . 0.0 115.1 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -88.9 -11.08 45.58 Favored 'General case' 0 C--N 1.383 2.04 0 C-N-CA 126.059 1.744 . . . . 0.0 112.457 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.608 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -63.41 -42.55 98.76 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 126.544 1.937 . . . . 0.0 115.428 177.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.5 m -90.94 -31.22 16.46 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 124.21 1.004 . . . . 0.0 111.144 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -120.28 103.58 9.35 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 113.702 -1.59 . . . . 0.0 111.354 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -97.57 121.95 40.07 Favored 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 123.398 0.679 . . . . 0.0 112.409 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -124.53 -80.37 0.62 Allowed 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.402 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -143.07 105.99 4.52 Favored 'General case' 0 C--N 1.383 2.049 0 C-N-CA 123.795 0.838 . . . . 0.0 110.7 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.5 m -115.07 108.88 47.55 Favored Pre-proline 0 C--N 1.386 2.162 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.115 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -62.93 -31.81 77.03 Favored 'Trans proline' 1 C--N 1.432 4.957 0 C-N-CA 123.976 3.117 . . . . 0.0 116.934 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -104.4 29.1 6.32 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 125.922 1.689 . . . . 0.0 113.139 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -51.01 111.44 0.56 Allowed 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 125.378 1.471 . . . . 0.0 114.641 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.33 57.29 0.65 Allowed 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 112.535 -2.12 . . . . 0.0 112.02 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -74.54 -33.73 62.81 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 113.369 -1.742 . . . . 0.0 113.767 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -77.14 -24.39 51.63 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.834 1.253 . . . . 0.0 113.146 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.56 -6.29 40.69 Favored 'General case' 0 C--N 1.384 2.076 0 C-N-CA 122.854 0.462 . . . . 0.0 111.967 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -119.01 154.03 33.72 Favored 'General case' 0 C--N 1.381 1.943 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.43 113.74 19.19 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.7 t -136.3 156.32 48.82 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 114.867 -1.061 . . . . 0.0 109.854 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -105.83 47.39 0.88 Allowed 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -176.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.22 -69.55 0.47 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 118.174 2.03 . . . . 0.0 118.174 170.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -173.22 64.9 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 119.202 1.501 . . . . 0.0 110.051 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -139.93 137.35 34.71 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.608 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 2.0 mt -70.92 -26.1 63.06 Favored 'General case' 0 N--CA 1.524 3.264 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 170.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.06 -36.62 92.59 Favored Glycine 0 C--N 1.384 3.236 0 C-N-CA 125.73 1.633 . . . . 0.0 114.088 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.43 -21.75 45.13 Favored 'General case' 0 C--N 1.394 2.536 0 C-N-CA 123.318 0.647 . . . . 0.0 111.734 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -81.75 -32.36 31.54 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.223 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.37 -36.0 54.02 Favored 'General case' 0 C--N 1.377 1.801 0 C-N-CA 124.776 1.23 . . . . 0.0 112.504 178.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.33 -34.86 70.93 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.485 1.514 . . . . 0.0 112.187 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -81.0 -28.88 35.32 Favored 'General case' 0 C--N 1.378 1.835 0 C-N-CA 123.618 0.767 . . . . 0.0 110.686 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.97 -38.57 66.67 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 124.903 1.377 . . . . 0.0 111.582 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.08 -38.01 78.77 Favored 'General case' 0 CA--C 1.575 1.916 0 C-N-CA 124.504 1.122 . . . . 0.0 110.243 175.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -72.86 -25.96 61.29 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 126.087 1.755 . . . . 0.0 112.83 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.3 m -79.51 -28.74 41.37 Favored 'General case' 0 N--CA 1.503 2.202 0 C-N-CA 123.844 0.858 . . . . 0.0 109.812 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -41.83 65.16 Favored 'General case' 0 C--N 1.383 2.053 0 C-N-CA 124.655 1.182 . . . . 0.0 110.525 176.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.4 p -71.47 -32.39 68.24 Favored 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 125.675 1.59 . . . . 0.0 113.84 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -77.83 -41.9 35.5 Favored 'General case' 0 N--CA 1.516 2.869 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.63 -34.64 78.33 Favored 'General case' 0 C--N 1.389 2.306 0 C-N-CA 124.603 1.161 . . . . 0.0 110.991 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.468 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 4.8 mt-10 -65.17 -32.4 74.07 Favored 'General case' 0 C--N 1.388 2.247 0 C-N-CA 126.135 1.774 . . . . 0.0 112.298 176.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.3 94.27 Favored 'General case' 0 C--N 1.388 2.278 0 C-N-CA 124.095 0.958 . . . . 0.0 112.944 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.14 -29.97 65.9 Favored 'General case' 0 N--CA 1.51 2.556 0 C-N-CA 123.122 0.569 . . . . 0.0 112.117 174.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 52.4 t -60.6 -39.54 81.76 Favored 'Isoleucine or valine' 0 C--N 1.38 1.92 0 C-N-CA 126.581 1.952 . . . . 0.0 110.187 175.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -54.87 -31.95 60.31 Favored 'General case' 0 C--N 1.393 2.495 0 C-N-CA 125.015 1.326 . . . . 0.0 113.104 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -69.41 -37.73 77.59 Favored 'General case' 0 C--N 1.399 2.761 0 C-N-CA 125.569 1.548 . . . . 0.0 112.062 176.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.3 32.19 2.84 Favored Glycine 0 C--N 1.375 2.711 0 N-CA-C 116.136 1.214 . . . . 0.0 116.136 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.26 112.62 21.56 Favored 'General case' 0 C--N 1.378 1.83 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.34 68.13 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 112.959 -1.928 . . . . 0.0 113.03 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.5 m -71.92 -38.23 69.91 Favored 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 124.695 1.198 . . . . 0.0 110.969 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -75.42 -22.93 57.0 Favored 'General case' 0 N--CA 1.508 2.443 0 C-N-CA 123.966 0.906 . . . . 0.0 112.279 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.2 t -77.05 -47.16 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 125.549 1.54 . . . . 0.0 109.802 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.8 -37.11 81.57 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 127.285 2.234 . . . . 0.0 112.673 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.03 -40.16 94.42 Favored 'General case' 0 N--CA 1.5 2.032 0 C-N-CA 126.299 1.84 . . . . 0.0 109.99 173.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 tt -72.72 -38.55 67.42 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 124.908 1.283 . . . . 0.0 109.64 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.17 98.02 Favored 'General case' 0 N--CA 1.511 2.583 0 C-N-CA 124.873 1.269 . . . . 0.0 112.537 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.74 -37.8 70.52 Favored 'General case' 0 N--CA 1.514 2.773 0 C-N-CA 125.888 1.675 . . . . 0.0 111.292 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -69.21 -35.65 76.43 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 125.001 1.32 . . . . 0.0 109.6 173.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.66 -45.87 81.29 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 124.703 1.201 . . . . 0.0 112.429 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.22 -40.72 82.01 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 125.079 1.352 . . . . 0.0 112.666 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.15 81.93 Favored 'General case' 0 C--N 1.39 2.342 0 C-N-CA 125.956 1.702 . . . . 0.0 112.022 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -73.64 -27.1 61.09 Favored 'General case' 0 C--N 1.375 1.688 0 C-N-CA 123.651 0.78 . . . . 0.0 112.559 176.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 32.9 mt -63.34 -46.1 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.527 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.0 mt-10 -66.27 -44.92 82.26 Favored 'General case' 0 N--CA 1.505 2.305 0 C-N-CA 124.802 1.241 . . . . 0.0 112.097 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.64 -44.44 56.89 Favored 'General case' 0 C--N 1.378 1.847 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.2 mp -86.22 -42.98 13.35 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 17.7 mt-30 -68.19 -37.88 81.39 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 123.795 0.684 . . . . 0.0 112.059 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.9 mtt180 -79.14 -36.09 41.06 Favored 'General case' 0 C--N 1.391 2.379 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 178.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -76.71 -26.64 54.91 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 119.367 0.985 . . . . 0.0 110.0 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.86 -28.13 55.33 Favored 'General case' 0 C--N 1.389 2.287 0 C-N-CA 124.406 1.082 . . . . 0.0 109.135 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.36 -29.37 63.73 Favored 'General case' 0 C--N 1.406 3.045 0 C-N-CA 125.303 1.441 . . . . 0.0 112.683 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 p -85.66 -22.57 27.85 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 124.664 1.186 . . . . 0.0 109.712 175.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.58 -27.48 51.37 Favored 'General case' 0 C--N 1.389 2.291 0 C-N-CA 125.458 1.503 . . . . 0.0 111.897 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.6 p -78.02 -11.23 59.89 Favored 'General case' 0 N--CA 1.514 2.741 0 C-N-CA 125.894 1.678 . . . . 0.0 111.725 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.1 tt -89.86 -28.89 18.96 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 127.021 2.129 . . . . 0.0 109.242 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -83.51 8.4 14.15 Favored 'General case' 0 CA--C 1.567 1.615 0 C-N-CA 124.683 1.193 . . . . 0.0 111.96 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -79.73 -7.7 58.78 Favored 'General case' 0 N--CA 1.517 2.922 0 CA-C-O 123.608 1.671 . . . . 0.0 110.4 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -62.63 -45.86 90.92 Favored 'General case' 0 CA--C 1.574 1.903 0 CA-C-N 109.855 -3.339 . . . . 0.0 104.358 169.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -148.11 -89.88 0.08 Allowed 'General case' 0 N--CA 1.529 3.478 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -31.96 -46.46 0.12 Allowed 'General case' 0 N--CA 1.527 3.411 0 N-CA-C 118.228 2.677 . . . . 0.0 118.228 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.14 -23.42 38.31 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -80.21 -0.51 36.53 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 127.08 2.152 . . . . 0.0 111.81 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mt -62.04 -53.64 57.62 Favored Pre-proline 0 C--N 1.397 2.656 0 CA-C-O 116.003 -1.951 . . . . 0.0 109.981 -172.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -70.22 -39.06 6.0 Favored 'Trans proline' 1 C--N 1.456 6.188 0 CA-C-N 123.79 2.389 . . . . 0.0 110.806 169.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.46 -150.24 19.18 Favored Glycine 0 C--N 1.378 2.864 0 O-C-N 124.219 0.95 . . . . 0.0 113.148 173.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -93.32 4.02 73.18 Favored Glycine 0 N--CA 1.485 1.951 0 N-CA-C 115.716 1.047 . . . . 0.0 115.716 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -69.64 -41.89 74.99 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 124.968 1.307 . . . . 0.0 112.841 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 59.9 mt -74.63 -35.63 62.9 Favored 'General case' 0 C--N 1.377 1.804 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -68.17 -37.75 81.33 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 124.788 1.235 . . . . 0.0 111.331 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.85 82.13 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.52 1.528 . . . . 0.0 111.441 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 4.5 mpt_? -73.01 -51.07 19.63 Favored 'General case' 0 C--N 1.376 1.745 0 C-N-CA 123.658 0.783 . . . . 0.0 111.45 176.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.57 -59.77 4.2 Favored 'General case' 0 CA--C 1.591 2.521 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.45 -45.77 24.68 Favored 'General case' 0 C--N 1.384 2.066 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.82 -37.6 70.32 Favored 'General case' 0 N--CA 1.509 2.522 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 18.7 m-85 -70.57 -36.85 73.84 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 123.127 0.571 . . . . 0.0 112.427 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -67.14 -39.83 86.64 Favored 'General case' 0 C--N 1.389 2.302 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.66 -41.75 83.29 Favored 'General case' 0 N--CA 1.517 2.875 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -68.92 -36.84 78.48 Favored 'General case' 0 N--CA 1.506 2.37 0 C-N-CA 124.216 1.006 . . . . 0.0 113.048 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.72 -36.78 78.88 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 124.66 1.184 . . . . 0.0 113.019 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -63.85 -42.41 97.58 Favored 'General case' 0 N--CA 1.511 2.604 0 C-N-CA 125.343 1.457 . . . . 0.0 114.753 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -72.9 -39.95 65.94 Favored 'General case' 0 N--CA 1.509 2.51 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.55 -32.93 71.97 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 123.451 0.469 . . . . 0.0 110.571 173.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -32.17 69.39 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 125.061 1.344 . . . . 0.0 112.093 176.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.45 86.6 Favored 'General case' 0 C--N 1.408 3.131 0 C-N-CA 125.475 1.51 . . . . 0.0 112.045 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.1 mtt -64.29 -38.05 89.68 Favored 'General case' 0 C--N 1.393 2.461 0 C-N-CA 125.253 1.421 . . . . 0.0 110.925 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -69.31 -35.32 75.86 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 125.64 1.576 . . . . 0.0 110.803 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -69.21 -38.67 78.7 Favored 'General case' 0 N--CA 1.51 2.548 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.76 -40.02 79.96 Favored 'General case' 0 N--CA 1.513 2.698 0 C-N-CA 124.672 1.189 . . . . 0.0 112.389 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -74.39 -20.51 60.04 Favored 'General case' 0 C--N 1.382 2.001 0 C-N-CA 124.661 1.184 . . . . 0.0 111.85 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -79.92 -26.92 39.97 Favored 'General case' 0 C--N 1.384 2.081 0 C-N-CA 124.385 1.074 . . . . 0.0 112.184 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -67.13 -38.72 86.06 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 124.529 1.132 . . . . 0.0 109.795 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.18 -36.28 74.54 Favored 'General case' 0 C--N 1.392 2.455 0 C-N-CA 124.915 1.286 . . . . 0.0 111.362 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -69.06 -34.47 75.21 Favored 'General case' 0 C--N 1.398 2.677 0 C-N-CA 124.977 1.311 . . . . 0.0 111.695 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.19 -37.5 87.52 Favored 'General case' 0 CA--C 1.57 1.737 0 C-N-CA 125.111 1.364 . . . . 0.0 112.935 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -90.71 -38.99 12.7 Favored 'General case' 0 C--N 1.388 2.279 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -107.74 -29.69 8.97 Favored 'General case' 0 C--N 1.397 2.663 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.3 m80 57.7 30.83 19.51 Favored 'General case' 0 N--CA 1.532 3.631 0 C-N-CA 127.617 2.367 . . . . 0.0 116.131 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.02 135.96 47.69 Favored Pre-proline 0 N--CA 1.499 1.977 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.08 -14.02 13.62 Favored 'Trans proline' 1 C--N 1.436 5.183 0 C-N-CA 124.919 3.746 . . . . 0.0 116.929 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -68.19 -37.59 81.09 Favored 'General case' 0 N--CA 1.527 3.408 0 C-N-CA 124.402 1.081 . . . . 0.0 113.688 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -79.0 -29.27 43.63 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 126.596 1.959 . . . . 0.0 110.044 -178.788 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.18 -36.62 77.52 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 126.828 2.051 . . . . 0.0 110.228 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.21 -32.83 70.92 Favored 'General case' 0 C--N 1.38 1.923 0 O-C-N 124.209 0.943 . . . . 0.0 110.492 172.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.44 -42.45 65.02 Favored 'General case' 0 N--CA 1.513 2.712 0 C-N-CA 125.102 1.361 . . . . 0.0 114.144 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.5 mt -65.28 -44.97 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.576 0 C-N-CA 125.205 1.402 . . . . 0.0 109.184 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.9 m -61.41 -42.54 98.9 Favored 'General case' 0 CA--C 1.587 2.381 0 C-N-CA 126.32 1.848 . . . . 0.0 111.62 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.45 97.6 Favored 'General case' 0 N--CA 1.514 2.738 0 C-N-CA 124.474 1.109 . . . . 0.0 112.549 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 14.8 mt -73.46 -28.73 62.1 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 124.895 1.278 . . . . 0.0 112.113 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -37.58 87.85 Favored 'General case' 0 C--N 1.392 2.437 0 C-N-CA 126.135 1.774 . . . . 0.0 112.384 178.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -74.25 -33.79 63.43 Favored 'General case' 0 C--N 1.386 2.189 0 C-N-CA 125.921 1.688 . . . . 0.0 109.792 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -70.16 -34.44 73.02 Favored 'General case' 0 C--N 1.386 2.171 0 C-N-CA 125.457 1.503 . . . . 0.0 112.455 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -38.69 91.91 Favored 'General case' 0 C--N 1.381 1.96 0 C-N-CA 124.27 1.028 . . . . 0.0 110.304 174.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.4 p -76.89 -39.13 52.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 123.931 0.769 . . . . 0.0 112.463 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -71.55 -36.26 70.9 Favored 'General case' 0 N--CA 1.513 2.689 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 82.7 m -71.77 -38.51 70.34 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 123.839 0.855 . . . . 0.0 111.446 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -62.42 -38.34 89.33 Favored 'General case' 0 C--N 1.394 2.5 0 C-N-CA 125.25 1.42 . . . . 0.0 112.429 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 25.3 m -69.95 -41.84 74.01 Favored 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 125.17 1.388 . . . . 0.0 111.034 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.84 -38.38 83.09 Favored 'General case' 0 C--N 1.38 1.892 0 C-N-CA 126.141 1.777 . . . . 0.0 113.102 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 20.7 mt -69.91 -40.38 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.833 0 C-N-CA 126.033 1.733 . . . . 0.0 110.228 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.91 99.68 Favored 'General case' 0 C--N 1.389 2.315 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.53 -40.91 76.62 Favored 'General case' 0 N--CA 1.512 2.65 0 C-N-CA 124.639 1.176 . . . . 0.0 113.763 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.1 p -71.57 -35.53 70.62 Favored 'General case' 0 N--CA 1.507 2.423 0 C-N-CA 124.317 1.047 . . . . 0.0 112.757 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.31 -35.56 68.66 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 124.252 1.021 . . . . 0.0 112.548 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -65.56 -38.94 91.02 Favored 'General case' 0 N--CA 1.515 2.788 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.433 ' O ' HG12 ' A' ' 169' ' ' ILE . . . -71.77 -33.65 68.79 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 124.312 1.045 . . . . 0.0 111.037 178.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -77.14 -32.26 56.21 Favored 'General case' 0 C--N 1.387 2.238 0 C-N-CA 125.893 1.677 . . . . 0.0 112.943 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.44 -26.41 60.93 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 125.257 1.423 . . . . 0.0 113.115 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.77 -14.92 43.75 Favored 'General case' 0 C--N 1.383 2.044 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -178.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 165' ' ' ALA . 1.0 OUTLIER -101.74 -10.56 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 C-N-CA 123.616 0.767 . . . . 0.0 112.034 -177.54 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.2 t -97.81 7.77 45.82 Favored 'General case' 0 CA--C 1.581 2.154 0 C-N-CA 125.07 1.348 . . . . 0.0 111.359 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 . . . . . 0 C--N 1.379 1.878 0 CA-C-O 117.96 -1.019 . . . . 0.0 111.853 -177.403 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mtt . . . . . 0 N--CA 1.499 2.006 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -102.14 -29.57 11.65 Favored 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 123.946 0.898 . . . . 0.0 113.279 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.46 82.54 0.23 Allowed Pre-proline 0 N--CA 1.525 3.297 0 C-N-CA 126.884 2.074 . . . . 0.0 111.824 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -62.25 108.73 0.72 Allowed 'Trans proline' 1 C--N 1.433 5.018 0 C-N-CA 123.493 2.795 . . . . 0.0 114.188 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -96.91 -41.03 8.61 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 123.338 0.655 . . . . 0.0 112.272 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.23 -37.78 52.56 Favored 'General case' 0 C--N 1.373 1.593 0 C-N-CA 124.861 1.264 . . . . 0.0 111.873 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -31.75 70.64 Favored 'General case' 0 C--N 1.38 1.925 0 C-N-CA 124.967 1.307 . . . . 0.0 111.31 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -69.36 -38.04 77.91 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 124.716 1.26 . . . . 0.0 111.607 175.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.3 m -71.16 -41.27 70.62 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 123.729 0.812 . . . . 0.0 111.093 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.91 -44.58 91.31 Favored 'General case' 0 C--N 1.389 2.298 0 O-C-N 124.237 0.961 . . . . 0.0 111.838 173.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -65.71 -40.2 92.01 Favored 'General case' 0 C--N 1.4 2.763 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -69.55 -38.8 77.61 Favored 'General case' 0 C--N 1.376 1.728 0 CA-C-O 117.835 -1.079 . . . . 0.0 110.611 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.93 -30.2 71.37 Favored 'General case' 0 N--CA 1.503 2.181 0 C-N-CA 123.99 0.916 . . . . 0.0 111.788 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.5 t -75.83 -46.76 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 C-N-CA 125.505 1.522 . . . . 0.0 111.59 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.99 -29.84 68.12 Favored 'General case' 0 N--CA 1.506 2.364 0 C-N-CA 123.668 0.787 . . . . 0.0 111.712 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.21 90.04 Favored 'General case' 0 N--CA 1.512 2.655 0 C-N-CA 126.251 1.82 . . . . 0.0 110.837 171.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 mt -70.0 -37.88 75.82 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 124.188 0.995 . . . . 0.0 110.765 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -59.54 -40.77 88.29 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 127.435 2.294 . . . . 0.0 112.222 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.26 -16.1 58.13 Favored 'General case' 0 N--CA 1.505 2.297 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 177.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -97.36 -19.78 18.27 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 125.477 1.511 . . . . 0.0 110.187 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.79 11.35 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 127.066 2.146 . . . . 0.0 112.129 178.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.1 -67.09 2.11 Favored Glycine 0 N--CA 1.497 2.756 0 N-CA-C 117.397 1.719 . . . . 0.0 117.397 -170.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.09 -8.96 25.04 Favored 'Trans proline' 0 C--N 1.412 3.871 0 CA-C-N 122.004 2.902 . . . . 0.0 117.164 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.25 -50.41 10.97 Favored 'General case' 0 C--N 1.375 1.704 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -176.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.72 -10.92 59.93 Favored 'General case' 0 N--CA 1.511 2.611 0 N-CA-C 115.968 1.84 . . . . 0.0 115.968 -178.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.12 -2.67 57.53 Favored 'General case' 0 CA--C 1.573 1.831 0 C-N-CA 124.053 0.941 . . . . 0.0 111.457 176.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -102.01 -104.15 0.26 Allowed 'General case' 0 C--N 1.38 1.9 0 C-N-CA 124.991 1.316 . . . . 0.0 111.605 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -136.37 -42.82 0.62 Allowed 'General case' 0 N--CA 1.505 2.293 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -97.24 141.34 30.47 Favored 'General case' 0 N--CA 1.504 2.226 0 C-N-CA 124.229 1.011 . . . . 0.0 113.578 -177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.72 155.97 18.85 Favored 'General case' 0 CA--C 1.575 1.913 0 C-N-CA 124.28 1.032 . . . . 0.0 112.597 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.64 138.8 19.95 Favored Pre-proline 0 C--N 1.391 2.391 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -177.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -66.94 -10.22 27.69 Favored 'Trans proline' 1 C--N 1.437 5.205 0 C-N-CA 124.389 3.392 . . . . 0.0 117.146 178.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -100.0 18.13 19.26 Favored 'General case' 0 N--CA 1.503 2.213 0 C-N-CA 124.753 1.221 . . . . 0.0 113.521 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -72.56 112.18 8.39 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.67 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.48 93.41 9.4 Favored 'General case' 0 C--N 1.371 1.531 0 C-N-CA 119.238 -0.985 . . . . 0.0 109.574 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.41 -2.0 51.77 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 113.67 -1.605 . . . . 0.0 113.868 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -80.11 -30.61 39.16 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 123.326 0.651 . . . . 0.0 111.091 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 mt -102.16 -3.82 26.84 Favored 'General case' 0 C--N 1.388 2.248 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -120.12 154.93 34.01 Favored 'General case' 0 C--N 1.382 2.017 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.0 108.96 13.51 Favored 'General case' 0 C--N 1.385 2.115 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 t -152.93 169.09 23.7 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 113.486 -1.688 . . . . 0.0 108.726 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -113.46 -31.9 6.39 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.511 0.724 . . . . 0.0 111.466 -178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.28 83.58 1.11 Allowed Glycine 0 C--N 1.381 3.036 0 N-CA-C 107.594 -2.202 . . . . 0.0 107.594 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.15 -55.94 1.18 Allowed 'General case' 0 C--N 1.385 2.151 0 CA-C-N 117.329 0.564 . . . . 0.0 111.147 -173.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -177.6 173.63 1.62 Allowed 'General case' 0 C--N 1.412 3.303 0 C-N-CA 126.973 2.109 . . . . 0.0 112.214 -174.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -21.66 62.43 Favored 'General case' 0 C--N 1.42 3.652 0 C-N-CA 125.042 1.337 . . . . 0.0 108.201 171.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.86 -35.29 74.63 Favored Glycine 0 C--N 1.383 3.172 0 C-N-CA 126.07 1.795 . . . . 0.0 113.757 176.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.97 -21.57 54.52 Favored 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 123.254 0.622 . . . . 0.0 111.804 178.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -82.19 -31.1 30.57 Favored 'General case' 0 N--CA 1.505 2.291 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.238 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mt -75.48 -36.38 60.65 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.482 1.513 . . . . 0.0 111.84 175.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -29.61 67.27 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 126.189 1.796 . . . . 0.0 111.119 175.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -79.82 -31.67 40.66 Favored 'General case' 0 C--N 1.382 2.004 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.21 -39.09 68.83 Favored 'General case' 0 C--N 1.375 1.688 0 CA-C-N 113.526 -1.67 . . . . 0.0 111.913 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -37.29 74.21 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 123.518 0.727 . . . . 0.0 111.163 174.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.75 -26.8 62.6 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 125.624 1.57 . . . . 0.0 113.003 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -80.22 -30.02 38.56 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 123.53 0.732 . . . . 0.0 110.03 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.73 -41.96 64.64 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 125.529 1.532 . . . . 0.0 110.382 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -72.35 -30.93 65.19 Favored 'General case' 0 N--CA 1.508 2.429 0 C-N-CA 125.898 1.679 . . . . 0.0 113.196 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -76.7 -36.51 57.18 Favored 'General case' 0 N--CA 1.509 2.498 0 C-N-CA 123.687 0.795 . . . . 0.0 112.875 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.51 -33.11 70.83 Favored 'General case' 0 C--N 1.388 2.256 0 C-N-CA 124.955 1.302 . . . . 0.0 111.403 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -34.59 78.51 Favored 'General case' 0 C--N 1.386 2.158 0 C-N-CA 126.447 1.899 . . . . 0.0 112.231 176.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.6 87.88 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 123.484 0.714 . . . . 0.0 111.145 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.97 -27.89 69.14 Favored 'General case' 0 C--N 1.395 2.55 0 C-N-CA 125.275 1.43 . . . . 0.0 113.32 173.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.36 -39.79 86.6 Favored 'Isoleucine or valine' 0 C--N 1.384 2.087 0 C-N-CA 125.42 1.488 . . . . 0.0 108.927 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -68.87 -11.29 60.37 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 126.227 1.811 . . . . 0.0 112.405 175.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -87.25 -39.21 15.63 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 172.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.35 37.44 1.21 Allowed Glycine 0 C--N 1.381 3.072 0 N-CA-C 116.657 1.423 . . . . 0.0 116.657 171.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.93 107.8 20.32 Favored 'General case' 0 C--N 1.375 1.709 0 CA-C-O 121.786 0.803 . . . . 0.0 109.633 177.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.43 -22.57 61.08 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 113.719 -1.582 . . . . 0.0 112.57 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.7 m -71.05 -36.38 72.3 Favored 'General case' 0 CA--C 1.574 1.866 0 C-N-CA 125.336 1.455 . . . . 0.0 110.368 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.68 -22.32 56.8 Favored 'General case' 0 C--N 1.392 2.421 0 C-N-CA 124.075 0.95 . . . . 0.0 111.802 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.0 t -75.38 -49.21 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 C-N-CA 126.722 2.009 . . . . 0.0 109.714 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.13 79.25 Favored 'General case' 0 C--N 1.38 1.899 0 C-N-CA 127.064 2.146 . . . . 0.0 112.512 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.88 -45.97 90.05 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 124.872 1.269 . . . . 0.0 108.836 172.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.83 -39.08 93.38 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 125.002 1.439 . . . . 0.0 111.354 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.15 95.22 Favored 'General case' 0 N--CA 1.511 2.614 0 C-N-CA 124.857 1.263 . . . . 0.0 111.819 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.84 -35.72 72.56 Favored 'General case' 0 N--CA 1.517 2.905 0 C-N-CA 126.202 1.801 . . . . 0.0 111.065 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -70.84 -30.12 66.45 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 126.127 1.771 . . . . 0.0 110.31 174.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -43.66 64.22 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 124.701 1.2 . . . . 0.0 111.652 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.09 -38.96 82.92 Favored 'General case' 0 C--N 1.39 2.345 0 C-N-CA 125.298 1.439 . . . . 0.0 112.122 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.76 -37.46 86.42 Favored 'General case' 0 C--N 1.387 2.2 0 C-N-CA 126.294 1.838 . . . . 0.0 111.672 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.44 -27.46 61.44 Favored 'General case' 0 C--N 1.378 1.824 0 C-N-CA 124.03 0.932 . . . . 0.0 112.613 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 80' ' ' ALA . 37.8 mt -62.9 -46.27 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.566 0 C-N-CA 123.157 0.583 . . . . 0.0 109.83 175.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.58 -43.58 84.55 Favored 'General case' 0 N--CA 1.509 2.512 0 C-N-CA 125.296 1.439 . . . . 0.0 111.955 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.29 -42.91 64.99 Favored 'General case' 0 C--N 1.377 1.788 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.3 -45.51 11.18 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -176.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.469 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 17.0 mt-30 -64.2 -38.81 92.39 Favored 'General case' 0 N--CA 1.505 2.301 0 CA-C-N 119.141 0.882 . . . . 0.0 112.572 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -78.55 -43.68 26.05 Favored 'General case' 0 CA--C 1.593 2.619 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -76.54 -31.97 57.94 Favored 'General case' 0 N--CA 1.514 2.744 0 CA-C-N 118.843 0.747 . . . . 0.0 111.004 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.51 -22.37 51.28 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 124.801 1.241 . . . . 0.0 109.459 174.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -63.23 -41.8 99.14 Favored 'General case' 0 C--N 1.427 3.946 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.8 p -77.23 -29.96 54.35 Favored 'General case' 0 C--N 1.396 2.594 0 C-N-CA 123.908 0.883 . . . . 0.0 111.008 175.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.72 -25.74 60.81 Favored 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 124.224 1.01 . . . . 0.0 113.146 173.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 m -59.42 -17.41 30.49 Favored 'General case' 0 C--N 1.413 3.343 0 C-N-CA 126.516 1.926 . . . . 0.0 112.86 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -0.82 0.09 Allowed 'General case' 0 N--CA 1.526 3.361 0 C-N-CA 127.394 2.278 . . . . 0.0 114.412 173.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -69.39 31.96 0.03 OUTLIER 'General case' 0 N--CA 1.525 3.287 0 C-N-CA 127.661 2.384 . . . . 0.0 113.574 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -115.04 -35.42 4.74 Favored 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 128.463 2.705 . . . . 0.0 113.012 -178.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -75.14 0.3 Allowed 'General case' 0 C--N 1.379 1.884 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 -173.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -142.38 -97.37 0.12 Allowed 'General case' 0 N--CA 1.524 3.275 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -63.56 -21.89 66.59 Favored 'General case' 0 N--CA 1.514 2.739 0 C-N-CA 125.998 1.719 . . . . 0.0 115.115 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.73 -28.38 50.77 Favored 'General case' 0 CA--C 1.569 1.684 0 C-N-CA 125.741 1.616 . . . . 0.0 112.837 177.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -65.76 -54.01 32.78 Favored 'General case' 0 N--CA 1.515 2.809 0 C-N-CA 125.491 1.516 . . . . 0.0 114.303 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.89 -41.73 86.92 Favored Pre-proline 0 C--N 1.385 2.113 0 N-CA-C 121.002 3.704 . . . . 0.0 121.002 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.8 -29.86 28.08 Favored 'Trans proline' 1 C--N 1.442 5.493 0 CA-C-N 126.043 3.194 . . . . 0.0 114.585 -177.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.49 -124.78 5.34 Favored Glycine 0 C--N 1.368 2.328 0 O-C-N 125.687 1.867 . . . . 0.0 111.716 176.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.92 -49.19 2.5 Favored Glycine 0 N--CA 1.483 1.83 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -103.62 -32.03 9.62 Favored 'General case' 0 CA--C 1.57 1.737 0 C-N-CA 126.811 2.044 . . . . 0.0 110.22 177.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.9 mt -73.51 -28.43 61.9 Favored 'General case' 0 N--CA 1.51 2.561 0 C-N-CA 125.363 1.465 . . . . 0.0 114.417 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -69.9 -30.58 68.04 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 124.553 1.141 . . . . 0.0 110.2 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -68.32 -34.0 75.33 Favored 'General case' 0 C--N 1.386 2.155 0 C-N-CA 125.961 1.705 . . . . 0.0 111.4 174.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 6.0 mpt_? -76.36 -48.92 18.25 Favored 'General case' 0 C--N 1.385 2.119 0 C-N-CA 123.209 0.603 . . . . 0.0 110.537 177.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 mp -61.12 -60.95 2.95 Favored 'General case' 0 CA--C 1.599 2.831 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.41 -43.15 23.91 Favored 'General case' 0 C--N 1.385 2.143 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 42.8 mt-10 -72.05 -35.4 69.31 Favored 'General case' 0 N--CA 1.513 2.68 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.9 m-85 -66.0 -44.28 85.26 Favored 'General case' 0 C--N 1.391 2.374 0 CA-C-N 118.61 0.641 . . . . 0.0 112.211 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.26 -38.56 75.16 Favored 'General case' 0 C--N 1.391 2.379 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.5 -41.03 80.63 Favored 'General case' 0 N--CA 1.522 3.161 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -67.54 -34.86 77.95 Favored 'General case' 0 N--CA 1.505 2.318 0 C-N-CA 124.461 1.104 . . . . 0.0 111.691 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.18 -29.4 66.27 Favored 'General case' 0 C--N 1.382 1.994 0 C-N-CA 125.071 1.348 . . . . 0.0 112.38 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.79 -44.09 91.09 Favored 'General case' 0 N--CA 1.516 2.838 0 C-N-CA 125.153 1.381 . . . . 0.0 113.908 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -73.5 -39.88 64.51 Favored 'General case' 0 N--CA 1.509 2.517 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.52 -33.15 72.23 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 123.694 0.622 . . . . 0.0 110.271 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.0 -34.06 71.01 Favored 'General case' 0 C--N 1.381 1.939 0 C-N-CA 124.93 1.292 . . . . 0.0 111.783 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.83 91.38 Favored 'General case' 0 C--N 1.41 3.222 0 C-N-CA 125.593 1.557 . . . . 0.0 112.427 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 63.8 mtt -63.68 -39.74 95.08 Favored 'General case' 0 C--N 1.393 2.488 0 O-C-N 125.005 1.44 . . . . 0.0 110.621 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 89.9 mttt -68.55 -39.06 81.25 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 124.755 1.222 . . . . 0.0 109.891 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -63.66 -38.15 90.03 Favored 'General case' 0 C--N 1.401 2.839 0 C-N-CA 125.541 1.536 . . . . 0.0 114.611 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.94 -39.42 83.45 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 124.389 1.076 . . . . 0.0 110.958 176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -77.54 -21.68 52.22 Favored 'General case' 0 C--N 1.383 2.055 0 C-N-CA 124.562 1.145 . . . . 0.0 112.507 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 38.3 mt-10 -70.43 -36.18 73.82 Favored 'General case' 0 N--CA 1.513 2.678 0 C-N-CA 125.47 1.508 . . . . 0.0 110.728 175.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -66.73 -39.44 87.98 Favored 'General case' 0 C--N 1.387 2.237 0 C-N-CA 124.67 1.188 . . . . 0.0 110.709 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.89 -36.43 75.44 Favored 'General case' 0 C--N 1.392 2.424 0 C-N-CA 125.002 1.321 . . . . 0.0 112.002 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -69.27 -37.5 77.93 Favored 'General case' 0 C--N 1.39 2.359 0 C-N-CA 125.385 1.474 . . . . 0.0 112.085 177.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.19 85.79 Favored 'General case' 0 CA--C 1.571 1.752 0 C-N-CA 124.99 1.316 . . . . 0.0 113.39 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -89.79 -39.67 12.97 Favored 'General case' 0 C--N 1.386 2.158 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -106.0 -29.8 9.71 Favored 'General case' 0 C--N 1.393 2.485 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -175.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 33.9 m80 55.02 29.48 12.44 Favored 'General case' 0 N--CA 1.532 3.659 0 C-N-CA 127.423 2.289 . . . . 0.0 116.676 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.93 139.16 49.7 Favored Pre-proline 0 N--CA 1.503 2.214 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -56.03 -14.9 12.43 Favored 'Trans proline' 1 C--N 1.437 5.222 0 C-N-CA 124.839 3.693 . . . . 0.0 116.97 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -68.06 -39.11 83.07 Favored 'General case' 0 N--CA 1.53 3.527 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.484 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -77.81 -29.7 50.85 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 126.953 2.101 . . . . 0.0 109.85 -179.231 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.33 81.36 Favored 'General case' 0 C--N 1.376 1.73 0 C-N-CA 126.793 2.037 . . . . 0.0 110.524 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.13 -33.82 72.3 Favored 'General case' 0 C--N 1.382 1.985 0 O-C-N 124.15 0.906 . . . . 0.0 110.987 173.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.2 -42.94 65.21 Favored 'General case' 0 N--CA 1.51 2.553 0 C-N-CA 125.243 1.417 . . . . 0.0 114.756 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.0 mt -67.33 -42.0 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.192 0 C-N-CA 125.359 1.463 . . . . 0.0 109.099 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.9 m -62.59 -42.06 99.34 Favored 'General case' 0 CA--C 1.587 2.389 0 C-N-CA 125.983 1.713 . . . . 0.0 111.074 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.81 95.46 Favored 'General case' 0 N--CA 1.512 2.657 0 C-N-CA 124.621 1.169 . . . . 0.0 112.118 175.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.17 -27.93 61.93 Favored 'General case' 0 C--N 1.38 1.912 0 C-N-CA 125.303 1.441 . . . . 0.0 112.017 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -37.9 89.07 Favored 'General case' 0 C--N 1.391 2.408 0 C-N-CA 126.286 1.835 . . . . 0.0 112.57 177.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.77 -34.05 60.23 Favored 'General case' 0 C--N 1.388 2.246 0 C-N-CA 125.29 1.436 . . . . 0.0 110.111 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -71.54 -33.87 69.52 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.086 1.355 . . . . 0.0 112.634 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -38.38 87.69 Favored 'General case' 0 C--N 1.38 1.898 0 C-N-CA 124.885 1.274 . . . . 0.0 110.32 174.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.4 p -76.05 -38.24 57.36 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 123.718 0.636 . . . . 0.0 112.071 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -72.34 -28.95 63.38 Favored 'General case' 0 N--CA 1.514 2.752 0 C-N-CA 124.072 0.949 . . . . 0.0 113.326 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 5.4 t -74.19 -39.47 63.15 Favored 'General case' 0 C--N 1.384 2.08 0 C-N-CA 123.9 0.88 . . . . 0.0 109.844 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -60.62 -37.38 81.27 Favored 'General case' 0 C--N 1.391 2.409 0 C-N-CA 125.516 1.526 . . . . 0.0 112.318 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 5.5 m -71.13 -40.87 71.16 Favored 'General case' 0 CA--C 1.58 2.109 0 C-N-CA 125.116 1.366 . . . . 0.0 110.471 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.62 86.18 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 126.348 1.859 . . . . 0.0 113.111 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 28.4 mt -66.98 -40.8 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.011 0 C-N-CA 126.378 1.871 . . . . 0.0 109.96 175.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.4 99.34 Favored 'General case' 0 C--N 1.391 2.389 0 C-N-CA 124.754 1.221 . . . . 0.0 113.445 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.98 -39.81 83.24 Favored 'General case' 0 N--CA 1.515 2.784 0 C-N-CA 125.185 1.394 . . . . 0.0 113.0 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.4 p -70.83 -32.41 69.44 Favored 'General case' 0 N--CA 1.509 2.48 0 C-N-CA 124.654 1.182 . . . . 0.0 112.396 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -72.67 -31.32 64.98 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 124.918 1.287 . . . . 0.0 112.271 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.51 -38.57 84.47 Favored 'General case' 0 N--CA 1.511 2.616 0 C-N-CA 125.0 1.32 . . . . 0.0 113.119 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.506 ' O ' HG13 ' A' ' 169' ' ' ILE . . . -69.3 -37.06 77.63 Favored 'General case' 0 C--N 1.378 1.818 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.072 177.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.29 -29.23 65.93 Favored 'General case' 0 C--N 1.392 2.454 0 C-N-CA 125.684 1.593 . . . . 0.0 112.25 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -71.24 -29.11 64.71 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.413 1.485 . . . . 0.0 112.553 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.83 -24.02 23.84 Favored 'General case' 0 C--N 1.385 2.142 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -177.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 165' ' ' ALA . 0.6 OUTLIER -109.17 11.3 8.92 Favored 'Isoleucine or valine' 0 C--N 1.381 1.972 0 CA-C-O 121.03 0.443 . . . . 0.0 110.058 -175.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 97.5 m -49.91 -41.1 45.25 Favored 'General case' 0 C--N 1.382 2.016 0 O-C-N 125.48 1.737 . . . . 0.0 108.731 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 . . . . . 0 N--CA 1.491 1.59 0 CA-C-N 113.473 -1.694 . . . . 0.0 111.58 178.246 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mmt . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 120.778 0.323 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 57.56 68.57 0.83 Allowed 'General case' 0 N--CA 1.534 3.775 0 C-N-CA 127.146 2.178 . . . . 0.0 113.683 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 p -109.25 118.52 50.81 Favored Pre-proline 0 CA--C 1.579 2.064 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.735 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -61.64 119.96 7.35 Favored 'Trans proline' 1 C--N 1.435 5.079 0 C-N-CA 123.893 3.062 . . . . 0.0 114.881 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mt -100.22 -47.08 5.08 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 123.567 0.747 . . . . 0.0 111.85 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -37.42 54.03 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 125.199 1.399 . . . . 0.0 112.677 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -31.93 70.16 Favored 'General case' 0 C--N 1.38 1.924 0 C-N-CA 124.386 1.074 . . . . 0.0 110.685 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -69.08 -35.79 76.91 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.143 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -71.92 -41.29 68.05 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 124.117 0.967 . . . . 0.0 111.095 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 mt -58.33 -43.3 88.18 Favored 'General case' 0 C--N 1.391 2.41 0 C-N-CA 124.296 1.038 . . . . 0.0 112.126 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -65.83 -38.27 88.43 Favored 'General case' 0 C--N 1.4 2.771 0 C-N-CA 124.729 1.212 . . . . 0.0 114.088 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -67.97 -38.11 82.35 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.839 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.72 -30.06 70.52 Favored 'General case' 0 N--CA 1.512 2.632 0 C-N-CA 124.493 1.117 . . . . 0.0 112.274 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -76.28 -46.42 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.429 0 C-N-CA 124.859 1.264 . . . . 0.0 110.245 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.94 -27.4 64.73 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 123.928 0.891 . . . . 0.0 111.057 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.469 ' O ' HD23 ' A' ' 20' ' ' LEU . . . -64.55 -39.48 93.83 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 125.84 1.656 . . . . 0.0 109.505 170.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -25.43 61.03 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 125.075 1.35 . . . . 0.0 111.604 177.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -68.06 -39.01 83.09 Favored 'General case' 0 N--CA 1.513 2.718 0 C-N-CA 125.404 1.482 . . . . 0.0 111.556 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 p -88.13 -22.08 24.29 Favored 'General case' 0 CA--C 1.561 1.397 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 16' ' ' ALA . 3.7 mm? -94.13 -15.54 24.59 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 126.236 1.815 . . . . 0.0 112.908 -176.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.4 mt -108.0 -71.95 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.841 0 N-CA-C 100.496 -3.891 . . . . 0.0 100.496 172.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.39 -95.57 0.01 OUTLIER Glycine 0 N--CA 1.49 2.28 0 O-C-N 127.569 3.043 . . . . 0.0 112.371 175.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -64.64 -8.68 18.12 Favored 'Trans proline' 1 C--N 1.419 4.276 0 C-N-CA 123.613 2.875 . . . . 0.0 115.696 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 mp -89.62 -4.65 57.71 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 126.351 1.86 . . . . 0.0 112.262 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.636 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -61.97 -41.31 97.87 Favored 'General case' 0 N--CA 1.51 2.561 0 C-N-CA 126.951 2.1 . . . . 0.0 116.275 175.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 44' ' ' ALA . 3.8 m -91.28 -32.98 15.52 Favored 'General case' 0 C--N 1.394 2.522 0 C-N-CA 124.227 1.011 . . . . 0.0 112.101 -177.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -106.41 127.83 53.58 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-N 113.833 -1.531 . . . . 0.0 112.214 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -81.64 116.86 21.58 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 121.688 0.756 . . . . 0.0 112.951 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -131.96 168.12 18.45 Favored 'General case' 0 N--CA 1.499 2.006 0 C-N-CA 125.621 1.568 . . . . 0.0 110.822 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -80.39 95.97 6.56 Favored 'General case' 0 CA--C 1.586 2.338 0 C-N-CA 124.401 1.08 . . . . 0.0 113.26 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.2 m -114.16 118.58 41.95 Favored Pre-proline 0 C--N 1.38 1.906 0 CA-C-O 118.702 -0.666 . . . . 0.0 110.729 176.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.51 -24.84 78.81 Favored 'Trans proline' 1 C--N 1.432 4.944 0 C-N-CA 124.037 3.158 . . . . 0.0 116.296 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -105.25 26.86 8.85 Favored 'General case' 0 CA--C 1.582 2.209 0 C-N-CA 124.359 1.063 . . . . 0.0 113.3 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.07 106.45 3.72 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 123.209 0.603 . . . . 0.0 109.423 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.64 93.57 4.01 Favored 'General case' 0 C--N 1.369 1.453 0 CA-C-O 122.023 0.916 . . . . 0.0 110.7 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -82.82 -11.0 58.59 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 113.598 -1.637 . . . . 0.0 113.788 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -80.24 -23.15 41.04 Favored 'General case' 0 N--CA 1.503 2.21 0 C-N-CA 123.961 0.905 . . . . 0.0 112.24 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.87 -3.42 42.01 Favored 'General case' 0 C--N 1.382 2.007 0 C-N-CA 124.357 1.063 . . . . 0.0 112.048 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -120.39 155.61 33.08 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 123.928 0.891 . . . . 0.0 113.244 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.58 112.16 17.67 Favored 'General case' 0 C--N 1.377 1.802 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.3 t -139.82 156.52 46.69 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.898 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -106.99 48.09 0.85 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -176.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.01 -69.44 0.49 Allowed Glycine 0 N--CA 1.489 2.188 0 N-CA-C 118.346 2.098 . . . . 0.0 118.346 171.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 26' ' ' SER . . . -176.63 59.27 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.425 0 CA-C-N 119.52 1.66 . . . . 0.0 109.985 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -137.73 140.21 40.57 Favored 'General case' 0 CA--C 1.562 1.407 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 -177.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.636 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 2.7 mt -70.31 -23.65 62.88 Favored 'General case' 0 N--CA 1.525 3.285 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 170.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.75 -38.2 95.54 Favored Glycine 0 C--N 1.382 3.11 0 O-C-N 124.919 1.387 . . . . 0.0 114.113 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.28 -27.16 47.33 Favored 'General case' 0 C--N 1.392 2.436 0 C-N-CA 123.636 0.774 . . . . 0.0 112.657 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -80.76 -30.72 36.04 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -76.41 -37.96 56.3 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 124.834 1.254 . . . . 0.0 112.997 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -30.69 68.52 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 125.315 1.446 . . . . 0.0 111.411 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -81.31 -29.5 34.2 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 123.633 0.773 . . . . 0.0 109.575 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.38 -39.76 64.88 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 124.822 1.326 . . . . 0.0 111.994 177.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -67.21 -38.92 86.11 Favored 'General case' 0 N--CA 1.503 2.223 0 C-N-CA 125.178 1.391 . . . . 0.0 111.069 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -74.2 -27.25 60.71 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 126.331 1.852 . . . . 0.0 113.312 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 m -79.16 -30.56 43.59 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 123.543 0.737 . . . . 0.0 110.529 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tp -71.73 -40.13 69.61 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 125.017 1.327 . . . . 0.0 110.344 177.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 78.7 p -70.49 -34.89 72.87 Favored 'General case' 0 N--CA 1.506 2.357 0 C-N-CA 125.42 1.488 . . . . 0.0 113.951 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -76.24 -38.51 56.21 Favored 'General case' 0 N--CA 1.516 2.85 0 CA-C-N 119.378 0.99 . . . . 0.0 112.93 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.41 -35.98 80.38 Favored 'General case' 0 C--N 1.387 2.215 0 C-N-CA 124.714 1.206 . . . . 0.0 111.434 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -65.59 -31.6 72.73 Favored 'General case' 0 C--N 1.39 2.343 0 C-N-CA 125.661 1.584 . . . . 0.0 111.614 176.582 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.68 94.5 Favored 'General case' 0 C--N 1.389 2.287 0 C-N-CA 124.261 1.024 . . . . 0.0 113.492 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.27 -30.81 67.93 Favored 'General case' 0 N--CA 1.512 2.638 0 C-N-CA 123.401 0.68 . . . . 0.0 112.119 174.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 56.0 t -60.95 -39.89 83.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.797 0 C-N-CA 126.548 1.939 . . . . 0.0 110.107 175.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -53.95 -32.75 54.8 Favored 'General case' 0 C--N 1.397 2.64 0 C-N-CA 125.275 1.43 . . . . 0.0 112.912 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -69.53 -38.13 77.39 Favored 'General case' 0 C--N 1.4 2.778 0 C-N-CA 125.534 1.534 . . . . 0.0 112.292 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.01 32.26 3.11 Favored Glycine 0 C--N 1.374 2.664 0 N-CA-C 115.951 1.14 . . . . 0.0 115.951 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.92 114.65 22.28 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-O 121.927 0.87 . . . . 0.0 109.157 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.27 -34.54 76.37 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 112.607 -2.088 . . . . 0.0 113.146 -176.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.5 m -71.45 -38.01 71.34 Favored 'General case' 0 CA--C 1.575 1.917 0 C-N-CA 124.425 1.09 . . . . 0.0 111.174 177.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -75.14 -22.72 57.96 Favored 'General case' 0 N--CA 1.509 2.491 0 C-N-CA 123.77 0.828 . . . . 0.0 112.417 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 t -77.5 -47.1 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 125.473 1.509 . . . . 0.0 110.026 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.78 -38.0 82.81 Favored 'General case' 0 C--N 1.39 2.336 0 C-N-CA 127.469 2.307 . . . . 0.0 112.658 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -40.26 95.23 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 126.484 1.914 . . . . 0.0 109.828 172.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 tt -72.5 -37.98 68.25 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.928 1.291 . . . . 0.0 109.947 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.46 -40.4 97.02 Favored 'General case' 0 N--CA 1.514 2.727 0 C-N-CA 125.006 1.322 . . . . 0.0 112.299 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.72 -37.48 73.53 Favored 'General case' 0 N--CA 1.516 2.871 0 C-N-CA 126.098 1.759 . . . . 0.0 110.977 176.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -72.25 -30.17 64.62 Favored 'General case' 0 CA--C 1.573 1.827 0 C-N-CA 125.339 1.456 . . . . 0.0 110.822 174.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.5 -46.03 60.85 Favored 'General case' 0 C--N 1.375 1.714 0 C-N-CA 124.607 1.163 . . . . 0.0 112.104 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.461 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.05 -40.44 82.82 Favored 'General case' 0 C--N 1.388 2.259 0 C-N-CA 124.918 1.287 . . . . 0.0 112.854 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.33 -37.82 83.9 Favored 'General case' 0 C--N 1.39 2.345 0 C-N-CA 126.123 1.769 . . . . 0.0 112.271 178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -73.81 -27.26 61.03 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 123.653 0.781 . . . . 0.0 112.621 176.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 39.9 mt -63.4 -46.13 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.523 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.2 mt-10 -65.73 -44.73 85.11 Favored 'General case' 0 N--CA 1.507 2.384 0 C-N-CA 124.738 1.215 . . . . 0.0 112.071 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.74 -43.88 57.87 Favored 'General case' 0 C--N 1.377 1.787 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.6 mp -86.84 -42.99 12.81 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -175.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 4.6 mt-30 -67.13 -40.14 86.72 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 123.845 0.716 . . . . 0.0 112.058 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.4 mtt180 -79.43 -39.38 32.5 Favored 'General case' 0 C--N 1.385 2.11 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -75.72 -28.83 58.73 Favored 'General case' 0 C--N 1.39 2.355 0 CA-C-N 118.957 0.799 . . . . 0.0 110.543 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.18 60.13 Favored 'General case' 0 C--N 1.39 2.343 0 C-N-CA 123.954 0.901 . . . . 0.0 109.169 173.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.13 -33.32 69.99 Favored 'General case' 0 C--N 1.41 3.236 0 C-N-CA 124.902 1.281 . . . . 0.0 114.061 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.3 p -85.72 -23.09 27.5 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 123.811 0.844 . . . . 0.0 110.636 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.58 -25.62 50.14 Favored 'General case' 0 C--N 1.39 2.369 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.812 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.2 p -75.14 -10.82 59.83 Favored 'General case' 0 N--CA 1.515 2.782 0 C-N-CA 125.99 1.716 . . . . 0.0 112.299 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 mt -90.97 -32.72 15.84 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.492 1.117 . . . . 0.0 112.832 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -69.07 -34.63 75.46 Favored 'General case' 0 N--CA 1.507 2.412 0 C-N-CA 124.967 1.307 . . . . 0.0 112.466 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.412 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -83.24 -38.84 21.69 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 125.174 1.39 . . . . 0.0 114.516 179.712 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -41.14 -23.97 0.02 OUTLIER 'General case' 0 N--CA 1.535 3.791 0 C-N-CA 128.042 2.537 . . . . 0.0 115.835 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -65.15 -85.23 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 126.881 2.072 . . . . 0.0 115.868 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -117.14 -21.8 8.66 Favored 'General case' 0 N--CA 1.505 2.277 0 C-N-CA 124.187 0.995 . . . . 0.0 111.37 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 97' ' ' ARG . . . -83.81 -9.05 59.06 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 127.437 2.295 . . . . 0.0 114.42 -176.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -48.68 -42.5 34.92 Favored 'General case' 0 N--CA 1.504 2.23 0 C-N-CA 127.069 2.148 . . . . 0.0 115.644 -170.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.4 mt -70.85 -54.4 7.86 Favored Pre-proline 0 CA--C 1.597 2.776 0 CA-C-O 116.338 -1.792 . . . . 0.0 114.355 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -83.82 5.87 6.1 Favored 'Trans proline' 1 C--N 1.446 5.705 0 C-N-CA 122.905 2.403 . . . . 0.0 115.684 176.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -121.1 0.55 11.66 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.507 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -104.31 2.36 43.43 Favored Glycine 0 C--N 1.367 2.286 0 C-N-CA 123.305 0.479 . . . . 0.0 114.147 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -94.63 -47.33 6.56 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 124.671 1.188 . . . . 0.0 111.24 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.437 ' H ' ' HG ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -75.73 -29.26 58.85 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.944 1.298 . . . . 0.0 113.821 179.628 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -67.84 -36.66 80.72 Favored 'General case' 0 C--N 1.386 2.161 0 C-N-CA 123.995 0.918 . . . . 0.0 112.428 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.97 -37.31 85.66 Favored 'General case' 0 C--N 1.39 2.351 0 C-N-CA 125.836 1.654 . . . . 0.0 111.452 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 2.0 mpt_? -69.88 -47.87 60.91 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 124.122 0.969 . . . . 0.0 110.666 175.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.412 HD11 HD22 ' A' ' 46' ' ' LEU . 3.9 mp -59.12 -61.41 2.65 Favored 'General case' 0 CA--C 1.594 2.639 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.88 -48.0 8.15 Favored 'General case' 0 C--N 1.383 2.057 0 N-CA-C 116.524 2.046 . . . . 0.0 116.524 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.29 -37.39 71.86 Favored 'General case' 0 N--CA 1.51 2.55 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -178.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 17.3 m-85 -73.86 -32.23 63.54 Favored 'General case' 0 C--N 1.392 2.432 0 CA-C-N 118.474 0.579 . . . . 0.0 112.116 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -65.95 -38.11 87.77 Favored 'General case' 0 C--N 1.399 2.759 0 CA-C-O 118.613 -0.708 . . . . 0.0 112.506 175.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.92 -41.26 95.71 Favored 'General case' 0 N--CA 1.52 3.05 0 C-N-CA 125.288 1.435 . . . . 0.0 114.277 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -65.97 -37.2 85.38 Favored 'General case' 0 N--CA 1.508 2.435 0 C-N-CA 124.5 1.12 . . . . 0.0 112.491 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.79 -31.0 68.68 Favored 'General case' 0 C--N 1.378 1.828 0 C-N-CA 124.97 1.308 . . . . 0.0 112.229 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -64.99 -42.43 94.52 Favored 'General case' 0 N--CA 1.513 2.688 0 C-N-CA 125.57 1.548 . . . . 0.0 114.15 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -73.08 -38.67 66.34 Favored 'General case' 0 N--CA 1.508 2.426 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.78 -32.89 73.2 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 123.455 0.472 . . . . 0.0 110.128 173.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.19 -31.49 67.7 Favored 'General case' 0 C--N 1.382 1.995 0 C-N-CA 125.201 1.4 . . . . 0.0 112.328 175.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.6 -37.95 83.3 Favored 'General case' 0 C--N 1.406 3.059 0 C-N-CA 125.127 1.371 . . . . 0.0 111.327 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.75 -38.21 90.23 Favored 'General case' 0 C--N 1.395 2.571 0 C-N-CA 125.432 1.493 . . . . 0.0 110.623 176.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -66.87 -39.07 87.43 Favored 'General case' 0 C--N 1.39 2.342 0 C-N-CA 125.148 1.379 . . . . 0.0 110.653 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -72.99 -45.85 55.6 Favored 'General case' 0 C--N 1.392 2.448 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.09 -40.83 78.17 Favored 'General case' 0 N--CA 1.515 2.821 0 C-N-CA 124.501 1.12 . . . . 0.0 113.785 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.51 -33.19 72.47 Favored 'General case' 0 N--CA 1.502 2.175 0 C-N-CA 124.51 1.124 . . . . 0.0 111.415 178.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.32 -36.52 79.41 Favored 'General case' 0 C--N 1.383 2.031 0 C-N-CA 125.397 1.479 . . . . 0.0 113.054 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -68.16 -43.77 77.51 Favored 'General case' 0 N--CA 1.509 2.475 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.97 -37.95 72.76 Favored 'General case' 0 C--N 1.39 2.33 0 CA-C-N 113.864 -1.516 . . . . 0.0 112.985 -177.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -87.61 -13.81 41.76 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 123.774 0.83 . . . . 0.0 113.029 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.86 85.27 Favored 'General case' 0 N--CA 1.519 2.978 0 C-N-CA 125.678 1.591 . . . . 0.0 111.386 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -75.47 -16.01 60.36 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 126.028 1.731 . . . . 0.0 112.854 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -99.11 -27.39 13.85 Favored 'General case' 0 CA--C 1.579 2.081 0 C-N-CA 125.148 1.379 . . . . 0.0 110.518 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.36 24.94 3.16 Favored 'General case' 0 N--CA 1.528 3.447 0 C-N-CA 128.195 2.598 . . . . 0.0 116.163 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -93.99 149.72 37.37 Favored Pre-proline 0 CA--C 1.578 2.056 0 CA-C-O 117.724 -1.131 . . . . 0.0 111.946 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -49.7 -8.41 0.11 Allowed 'Trans proline' 2 C--N 1.442 5.496 1 C-N-CA 125.949 4.433 . . . . 0.0 118.708 178.88 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -67.58 -17.85 64.78 Favored 'General case' 0 N--CA 1.518 2.969 0 C-N-CA 124.266 1.026 . . . . 0.0 113.611 -178.365 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.419 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -76.89 -34.14 57.77 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.605 1.562 . . . . 0.0 109.965 177.34 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.51 -35.73 70.84 Favored 'General case' 0 C--N 1.386 2.175 0 C-N-CA 124.738 1.215 . . . . 0.0 111.011 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.22 -38.01 78.33 Favored 'General case' 0 CA--C 1.574 1.891 0 C-N-CA 123.961 0.904 . . . . 0.0 111.99 176.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 8.5 mt-10 -77.02 -47.29 21.06 Favored 'General case' 0 N--CA 1.512 2.63 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.4 mt -69.27 -41.57 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.911 0 C-N-CA 124.502 1.121 . . . . 0.0 110.897 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 93.0 m -62.56 -40.0 95.45 Favored 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 124.849 1.26 . . . . 0.0 110.982 177.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.26 97.86 Favored 'General case' 0 N--CA 1.513 2.68 0 C-N-CA 124.453 1.101 . . . . 0.0 113.221 177.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.08 -27.25 57.13 Favored 'General case' 0 C--N 1.381 1.937 0 C-N-CA 124.784 1.234 . . . . 0.0 111.973 177.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -37.01 81.23 Favored 'General case' 0 C--N 1.39 2.35 0 C-N-CA 125.951 1.701 . . . . 0.0 112.708 177.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -75.18 -36.7 61.45 Favored 'General case' 0 C--N 1.388 2.271 0 C-N-CA 125.491 1.516 . . . . 0.0 110.073 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -70.68 -35.1 72.65 Favored 'General case' 0 C--N 1.385 2.117 0 C-N-CA 125.532 1.533 . . . . 0.0 112.461 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.13 -39.74 95.55 Favored 'General case' 0 C--N 1.383 2.056 0 C-N-CA 124.764 1.226 . . . . 0.0 109.938 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.9 p -78.04 -40.28 39.27 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 124.015 0.822 . . . . 0.0 113.155 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -70.7 -36.68 73.39 Favored 'General case' 0 N--CA 1.512 2.636 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 15.0 p -75.09 -38.41 61.21 Favored 'General case' 0 C--N 1.38 1.9 0 CA-C-O 118.961 -0.543 . . . . 0.0 112.287 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -64.02 -37.68 88.31 Favored 'General case' 0 C--N 1.385 2.129 0 C-N-CA 124.993 1.317 . . . . 0.0 112.773 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 23.0 m -72.32 -44.09 63.19 Favored 'General case' 0 N--CA 1.5 2.025 0 C-N-CA 124.564 1.145 . . . . 0.0 112.195 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.69 78.25 Favored 'General case' 0 C--N 1.377 1.768 0 C-N-CA 125.276 1.43 . . . . 0.0 113.115 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 35.8 mt -71.14 -40.21 74.76 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.871 0 C-N-CA 125.477 1.511 . . . . 0.0 111.185 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.67 97.03 Favored 'General case' 0 C--N 1.396 2.596 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.99 -41.79 77.35 Favored 'General case' 0 N--CA 1.514 2.757 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.8 p -71.12 -37.95 72.32 Favored 'General case' 0 N--CA 1.51 2.538 0 C-N-CA 124.01 0.924 . . . . 0.0 112.926 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -72.03 -34.39 68.76 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 123.962 0.905 . . . . 0.0 112.579 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -65.6 -36.3 83.33 Favored 'General case' 0 N--CA 1.514 2.753 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.87 -33.31 70.49 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 124.481 1.112 . . . . 0.0 111.668 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.5 mt -79.87 -36.56 36.42 Favored 'General case' 0 N--CA 1.501 2.1 0 C-N-CA 125.18 1.392 . . . . 0.0 112.541 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.67 -26.45 59.86 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 125.753 1.621 . . . . 0.0 114.38 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -50.48 -42.24 54.29 Favored 'General case' 0 C--N 1.398 2.701 0 C-N-CA 126.914 2.086 . . . . 0.0 113.16 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -101.84 177.62 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.416 0 CA-C-N 112.473 -2.149 . . . . 0.0 107.394 -178.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.53 4.33 36.38 Favored 'General case' 0 CA--C 1.578 2.035 0 CA-C-N 114.418 -1.265 . . . . 0.0 110.438 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 . . . . . 0 N--CA 1.499 1.981 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.259 -177.221 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mtt . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.187 0.518 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -115.46 127.69 55.51 Favored 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 124.136 0.974 . . . . 0.0 110.839 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.44 124.27 24.3 Favored Pre-proline 0 CA--C 1.574 1.877 0 C-N-CA 123.556 0.743 . . . . 0.0 111.9 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -60.19 -27.06 84.1 Favored 'Trans proline' 1 C--N 1.433 4.975 0 C-N-CA 124.156 3.237 . . . . 0.0 117.286 178.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mt -74.54 -36.29 63.14 Favored 'General case' 0 N--CA 1.506 2.334 0 C-N-CA 123.88 0.872 . . . . 0.0 111.832 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -34.03 55.2 Favored 'General case' 0 C--N 1.375 1.683 0 C-N-CA 125.472 1.509 . . . . 0.0 112.303 178.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.61 -31.68 68.75 Favored 'General case' 0 C--N 1.381 1.943 0 C-N-CA 124.174 0.989 . . . . 0.0 109.248 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -66.28 -38.07 86.92 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.566 1.146 . . . . 0.0 111.661 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.8 m -71.69 -41.16 68.98 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 124.187 0.995 . . . . 0.0 110.918 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mt -58.4 -43.74 88.71 Favored 'General case' 0 C--N 1.387 2.218 0 O-C-N 124.32 1.012 . . . . 0.0 112.231 173.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -65.68 -39.94 91.82 Favored 'General case' 0 C--N 1.4 2.795 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -70.2 -36.99 74.97 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.47 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.76 -30.5 71.49 Favored 'General case' 0 N--CA 1.505 2.321 0 C-N-CA 124.158 0.983 . . . . 0.0 111.638 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.7 t -75.95 -46.01 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.359 0 C-N-CA 125.524 1.529 . . . . 0.0 111.038 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.26 68.48 Favored 'General case' 0 N--CA 1.505 2.311 0 C-N-CA 123.351 0.661 . . . . 0.0 111.405 175.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.15 -40.11 90.31 Favored 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 125.567 1.547 . . . . 0.0 110.334 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -36.2 70.64 Favored 'General case' 0 C--N 1.38 1.915 0 C-N-CA 124.382 1.073 . . . . 0.0 110.886 178.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -59.67 -41.53 90.85 Favored 'General case' 0 N--CA 1.505 2.3 0 C-N-CA 127.484 2.314 . . . . 0.0 111.647 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.28 -15.16 59.57 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 177.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.64 -19.48 17.52 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.534 1.133 . . . . 0.0 109.738 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.39 15.41 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 127.206 2.202 . . . . 0.0 111.555 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.81 -78.96 0.15 Allowed Glycine 0 N--CA 1.486 2.028 0 CA-C-O 117.353 -1.804 . . . . 0.0 114.453 -173.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -66.2 -2.04 6.36 Favored 'Trans proline' 0 CA--C 1.602 3.916 0 C-N-CA 123.469 2.779 . . . . 0.0 116.838 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 mt -90.74 -13.13 34.64 Favored 'General case' 0 CA--C 1.584 2.262 0 C-N-CA 125.352 1.461 . . . . 0.0 112.522 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.551 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -60.11 -42.94 95.81 Favored 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 127.492 2.317 . . . . 0.0 115.405 177.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.52 -31.97 12.51 Favored 'General case' 0 C--N 1.385 2.109 0 C-N-CA 124.763 1.225 . . . . 0.0 110.453 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -100.59 91.53 4.7 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.575 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -101.15 129.28 47.03 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -133.08 -63.07 0.78 Allowed 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.827 1.251 . . . . 0.0 110.394 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -143.89 152.21 40.85 Favored 'General case' 0 C--N 1.383 2.06 0 C-N-CA 124.969 1.308 . . . . 0.0 108.954 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 m -112.12 104.28 55.9 Favored Pre-proline 0 C--N 1.391 2.396 0 C-N-CA 123.079 0.551 . . . . 0.0 112.11 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -82.15 -59.1 0.03 OUTLIER 'Trans proline' 1 C--N 1.433 4.98 0 C-N-CA 122.316 2.01 . . . . 0.0 116.189 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -118.83 19.51 13.09 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 125.369 1.467 . . . . 0.0 113.625 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -73.0 110.32 7.2 Favored 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 123.05 0.54 . . . . 0.0 109.959 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.95 88.86 2.91 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 117.9 -1.52 . . . . 0.0 109.163 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -83.0 7.02 16.83 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 113.589 -1.642 . . . . 0.0 113.526 -177.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -79.47 -28.11 41.55 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.304 1.042 . . . . 0.0 110.574 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.44 -6.88 32.9 Favored 'General case' 0 C--N 1.391 2.412 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -117.12 153.67 32.38 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 122.957 0.503 . . . . 0.0 112.294 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.01 109.54 14.23 Favored 'General case' 0 C--N 1.381 1.967 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.6 t -157.73 140.41 14.8 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 113.406 -1.725 . . . . 0.0 108.575 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -83.05 -31.65 27.26 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.219 -1.355 . . . . 0.0 112.835 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.21 81.75 1.32 Allowed Glycine 0 C--N 1.377 2.828 0 N-CA-C 107.717 -2.153 . . . . 0.0 107.717 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.79 -54.06 1.14 Allowed 'General case' 0 C--N 1.377 1.782 0 CA-C-O 121.177 0.513 . . . . 0.0 110.639 -173.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.436 ' HG2' ' H ' ' A' ' 47' ' ' GLY 0.257 55.9 ttt180 -177.58 175.59 1.38 Allowed 'General case' 0 C--N 1.413 3.347 0 O-C-N 126.134 2.146 . . . . 0.0 112.477 -172.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.551 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 2.1 mt -67.86 -22.01 65.14 Favored 'General case' 0 N--CA 1.537 3.896 0 C-N-CA 125.228 1.411 . . . . 0.0 108.683 168.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.91 -35.03 81.12 Favored Glycine 0 C--N 1.375 2.737 0 C-N-CA 126.355 1.931 . . . . 0.0 114.822 177.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.06 -21.41 54.5 Favored 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 117.721 0.761 . . . . 0.0 111.791 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -81.98 -32.56 30.59 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.827 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -77.12 -35.1 56.56 Favored 'General case' 0 C--N 1.372 1.578 0 C-N-CA 124.953 1.301 . . . . 0.0 112.621 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.62 -38.88 77.41 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 125.3 1.44 . . . . 0.0 111.6 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -74.37 -30.07 61.83 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 123.485 0.714 . . . . 0.0 111.424 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.11 -38.91 69.23 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 113.848 -1.524 . . . . 0.0 111.684 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -37.68 75.95 Favored 'General case' 0 N--CA 1.502 2.165 0 C-N-CA 123.989 0.916 . . . . 0.0 110.84 175.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.91 -24.49 61.65 Favored 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 126.211 1.804 . . . . 0.0 112.551 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.14 -31.41 39.01 Favored 'General case' 0 C--N 1.382 1.997 0 C-N-CA 123.755 0.822 . . . . 0.0 109.809 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.3 tp -72.71 -40.2 66.36 Favored 'General case' 0 C--N 1.384 2.097 0 C-N-CA 124.911 1.284 . . . . 0.0 110.809 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.2 p -71.82 -32.38 67.51 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 125.783 1.633 . . . . 0.0 113.066 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -77.46 -35.27 54.02 Favored 'General case' 0 N--CA 1.507 2.406 0 C-N-CA 123.609 0.764 . . . . 0.0 112.657 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -71.03 -32.55 69.33 Favored 'General case' 0 C--N 1.386 2.195 0 C-N-CA 124.898 1.279 . . . . 0.0 111.358 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -32.93 74.49 Favored 'General case' 0 C--N 1.387 2.227 0 C-N-CA 126.306 1.842 . . . . 0.0 111.864 176.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.6 89.29 Favored 'General case' 0 C--N 1.392 2.454 0 C-N-CA 123.816 0.846 . . . . 0.0 111.284 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.62 -27.9 69.25 Favored 'General case' 0 C--N 1.395 2.571 0 C-N-CA 125.235 1.414 . . . . 0.0 113.475 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 82.1 t -64.32 -38.91 83.76 Favored 'Isoleucine or valine' 0 C--N 1.382 2.002 0 C-N-CA 125.391 1.476 . . . . 0.0 108.58 175.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -68.94 -11.71 60.94 Favored 'General case' 0 N--CA 1.502 2.169 0 C-N-CA 125.824 1.649 . . . . 0.0 112.263 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -88.11 -39.23 14.74 Favored 'General case' 0 C--N 1.38 1.926 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 172.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.85 39.87 0.87 Allowed Glycine 0 C--N 1.381 3.046 0 N-CA-C 116.889 1.516 . . . . 0.0 116.889 171.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.05 105.31 16.03 Favored 'General case' 0 C--N 1.374 1.673 0 CA-C-O 121.676 0.75 . . . . 0.0 109.459 176.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.15 -20.95 60.81 Favored 'General case' 0 N--CA 1.505 2.29 0 CA-C-N 114.048 -1.433 . . . . 0.0 112.3 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.9 m -71.1 -36.57 72.23 Favored 'General case' 0 CA--C 1.569 1.703 0 C-N-CA 125.504 1.522 . . . . 0.0 110.215 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -75.47 -22.12 57.51 Favored 'General case' 0 C--N 1.393 2.461 0 C-N-CA 124.087 0.955 . . . . 0.0 111.791 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.5 t -75.68 -49.4 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 C-N-CA 126.607 1.963 . . . . 0.0 109.968 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.0 -36.45 80.01 Favored 'General case' 0 C--N 1.379 1.862 0 C-N-CA 127.018 2.127 . . . . 0.0 112.691 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -46.93 84.43 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 125.924 1.689 . . . . 0.0 108.939 173.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.2 -40.52 97.73 Favored 'General case' 0 N--CA 1.509 2.501 0 O-C-N 124.792 1.308 . . . . 0.0 111.457 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.01 95.36 Favored 'General case' 0 N--CA 1.511 2.581 0 C-N-CA 124.779 1.231 . . . . 0.0 112.898 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.75 -37.88 73.47 Favored 'General case' 0 N--CA 1.519 2.992 0 C-N-CA 126.071 1.748 . . . . 0.0 111.64 177.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -71.04 -30.34 66.51 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 124.996 1.318 . . . . 0.0 110.24 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.493 HD11 HD13 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -67.85 -47.04 70.07 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 124.522 1.129 . . . . 0.0 112.162 179.158 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.44 -40.06 81.26 Favored 'General case' 0 C--N 1.384 2.101 0 C-N-CA 124.789 1.236 . . . . 0.0 113.257 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.44 81.81 Favored 'General case' 0 C--N 1.389 2.294 0 C-N-CA 125.712 1.605 . . . . 0.0 112.492 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -73.83 -27.31 61.04 Favored 'General case' 0 C--N 1.376 1.736 0 C-N-CA 123.957 0.903 . . . . 0.0 112.642 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 80' ' ' ALA . 30.7 mt -63.04 -46.28 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.564 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.45 -44.58 82.42 Favored 'General case' 0 N--CA 1.505 2.29 0 C-N-CA 124.652 1.181 . . . . 0.0 112.355 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.35 -45.24 56.24 Favored 'General case' 0 C--N 1.379 1.863 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.11 -45.64 11.88 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -175.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.53 -36.87 85.09 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -76.54 -41.02 48.12 Favored 'General case' 0 CA--C 1.595 2.7 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -75.26 -29.7 60.25 Favored 'General case' 0 C--N 1.402 2.856 0 CA-C-N 118.962 0.801 . . . . 0.0 109.78 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.38 -22.87 51.03 Favored 'General case' 0 C--N 1.384 2.075 0 C-N-CA 125.646 1.578 . . . . 0.0 110.801 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.16 95.6 Favored 'General case' 0 C--N 1.41 3.219 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 p -78.8 -27.74 44.49 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 124.058 0.943 . . . . 0.0 111.726 174.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 97' ' ' ARG . . . -57.64 -28.33 63.62 Favored 'General case' 0 N--CA 1.502 2.158 0 C-N-CA 124.676 1.191 . . . . 0.0 112.424 173.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -8.43 1.3 Allowed 'General case' 0 C--N 1.421 3.705 0 C-N-CA 127.08 2.152 . . . . 0.0 112.845 175.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.63 -55.39 3.15 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 178.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -73.76 -3.63 29.63 Favored 'General case' 0 N--CA 1.519 2.992 0 CA-C-O 123.095 1.426 . . . . 0.0 109.339 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.776 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 1.3 ttp180 -60.27 -36.1 77.04 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 130.034 3.334 . . . . 0.0 116.245 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.56 -6.19 30.56 Favored 'General case' 0 C--N 1.37 1.478 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 -171.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . 0.281 8.8 mt-10 -110.58 -60.05 1.87 Allowed 'General case' 0 N--CA 1.518 2.941 0 N-CA-C 118.786 2.884 . . . . 0.0 118.786 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.41 -16.09 12.51 Favored 'General case' 0 N--CA 1.52 3.033 0 CA-C-N 120.656 1.571 . . . . 0.0 112.099 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.776 ' HB3' ' HA ' ' A' ' 97' ' ' ARG . . . -85.7 -22.4 27.85 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 126.767 2.027 . . . . 0.0 112.933 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -66.13 -56.63 10.47 Favored 'General case' 0 N--CA 1.511 2.592 0 C-N-CA 125.235 1.414 . . . . 0.0 114.806 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.3 mt -69.06 -35.96 6.87 Favored Pre-proline 0 N--CA 1.506 2.346 0 N-CA-C 120.676 3.584 . . . . 0.0 120.676 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -57.19 -18.05 28.17 Favored 'Trans proline' 1 C--N 1.441 5.446 0 CA-C-N 124.901 2.786 . . . . 0.0 118.948 -175.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.86 -26.58 0.07 OUTLIER Glycine 0 C--N 1.355 1.598 0 CA-C-O 118.361 -1.244 . . . . 0.0 114.43 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.68 -70.82 0.7 Allowed Glycine 0 C--N 1.383 3.149 0 CA-C-N 118.875 1.337 . . . . 0.0 112.804 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -106.94 37.37 2.37 Favored 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 124.775 1.23 . . . . 0.0 110.846 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 46.5 mt -63.73 -47.34 81.43 Favored 'General case' 0 N--CA 1.512 2.656 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -71.06 -36.84 72.44 Favored 'General case' 0 C--N 1.376 1.723 0 C-N-CA 125.599 1.56 . . . . 0.0 110.302 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.57 -29.68 69.81 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 124.686 1.195 . . . . 0.0 111.33 173.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.578 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -77.1 -48.82 16.74 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 123.324 0.65 . . . . 0.0 110.206 175.21 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.99 -63.69 1.05 Allowed 'General case' 0 CA--C 1.595 2.682 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.03 -43.58 28.97 Favored 'General case' 0 C--N 1.384 2.108 0 N-CA-C 117.347 2.351 . . . . 0.0 117.347 -177.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -75.07 -29.62 60.73 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.1 m-85 -70.78 -37.57 73.35 Favored 'General case' 0 C--N 1.389 2.285 0 CA-C-O 118.795 -0.621 . . . . 0.0 111.337 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -66.09 -39.71 90.21 Favored 'General case' 0 N--CA 1.509 2.506 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.19 -42.9 71.78 Favored 'General case' 0 N--CA 1.52 3.058 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -70.85 -35.67 72.53 Favored 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 124.031 0.932 . . . . 0.0 112.641 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -73.75 -24.3 59.86 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 124.511 1.124 . . . . 0.0 111.879 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -65.58 -49.39 68.98 Favored 'General case' 0 C--N 1.392 2.426 0 C-N-CA 125.513 1.525 . . . . 0.0 113.547 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -75.02 -34.46 61.9 Favored 'General case' 0 N--CA 1.51 2.533 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.9 -32.74 73.15 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 123.843 0.715 . . . . 0.0 110.018 172.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.493 HD13 HD11 ' A' ' 79' ' ' LEU . 1.6 mt -71.39 -34.01 70.01 Favored 'General case' 0 C--N 1.384 2.095 0 C-N-CA 124.674 1.19 . . . . 0.0 112.524 176.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.43 93.48 Favored 'General case' 0 C--N 1.407 3.096 0 C-N-CA 125.646 1.579 . . . . 0.0 112.141 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 64.2 mtt -64.52 -39.42 93.74 Favored 'General case' 0 C--N 1.389 2.297 0 O-C-N 125.053 1.47 . . . . 0.0 110.339 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -68.86 -38.07 79.52 Favored 'General case' 0 C--N 1.389 2.318 0 C-N-CA 124.559 1.144 . . . . 0.0 110.351 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -63.9 -38.43 91.06 Favored 'General case' 0 C--N 1.401 2.811 0 C-N-CA 125.511 1.524 . . . . 0.0 114.551 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.13 -40.1 82.56 Favored 'General case' 0 N--CA 1.506 2.349 0 C-N-CA 124.356 1.063 . . . . 0.0 111.263 177.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -75.48 -24.78 56.97 Favored 'General case' 0 C--N 1.382 2.021 0 C-N-CA 124.448 1.099 . . . . 0.0 112.593 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.29 -37.05 77.65 Favored 'General case' 0 N--CA 1.515 2.775 0 C-N-CA 125.42 1.488 . . . . 0.0 111.454 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -66.89 -38.61 86.61 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 124.731 1.212 . . . . 0.0 110.742 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.91 -36.29 75.26 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 125.007 1.323 . . . . 0.0 111.811 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -69.37 -36.47 76.85 Favored 'General case' 0 C--N 1.392 2.442 0 C-N-CA 125.203 1.401 . . . . 0.0 112.143 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.06 -37.09 84.97 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 124.975 1.31 . . . . 0.0 113.134 176.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -90.21 -39.38 12.83 Favored 'General case' 0 C--N 1.387 2.232 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -107.05 -30.0 9.07 Favored 'General case' 0 C--N 1.393 2.494 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -175.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 55.94 26.88 10.34 Favored 'General case' 0 N--CA 1.533 3.692 0 C-N-CA 127.398 2.279 . . . . 0.0 116.398 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.78 139.33 62.24 Favored Pre-proline 0 N--CA 1.504 2.265 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -56.38 -15.84 16.27 Favored 'Trans proline' 1 C--N 1.438 5.258 0 C-N-CA 124.741 3.628 . . . . 0.0 116.394 177.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.4 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 52.2 mt-30 -69.04 -38.28 79.06 Favored 'General case' 0 N--CA 1.527 3.376 0 C-N-CA 124.369 1.068 . . . . 0.0 113.128 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.18 -29.48 48.57 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 126.654 1.981 . . . . 0.0 109.914 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.71 78.34 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 126.735 2.014 . . . . 0.0 110.262 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.41 -33.19 71.07 Favored 'General case' 0 C--N 1.381 1.965 0 C-N-CA 124.163 0.985 . . . . 0.0 110.863 173.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 37.6 mt-10 -72.36 -43.41 64.07 Favored 'General case' 0 N--CA 1.512 2.664 0 C-N-CA 125.083 1.353 . . . . 0.0 114.555 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.6 mt -66.95 -43.23 89.38 Favored 'Isoleucine or valine' 0 C--N 1.407 3.101 0 C-N-CA 125.141 1.376 . . . . 0.0 109.091 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.3 m -62.19 -41.95 98.82 Favored 'General case' 0 CA--C 1.588 2.407 0 C-N-CA 125.98 1.712 . . . . 0.0 111.352 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.93 90.43 Favored 'General case' 0 N--CA 1.513 2.69 0 C-N-CA 124.464 1.106 . . . . 0.0 111.904 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 25.0 mt -73.24 -27.09 61.39 Favored 'General case' 0 C--N 1.38 1.897 0 C-N-CA 125.267 1.427 . . . . 0.0 112.164 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.78 -37.16 86.33 Favored 'General case' 0 C--N 1.393 2.476 0 C-N-CA 125.696 1.598 . . . . 0.0 111.606 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -75.18 -36.79 61.44 Favored 'General case' 0 C--N 1.39 2.362 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.322 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -71.26 -35.12 71.28 Favored 'General case' 0 C--N 1.387 2.2 0 C-N-CA 124.919 1.288 . . . . 0.0 113.112 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -38.36 90.76 Favored 'General case' 0 C--N 1.379 1.872 0 C-N-CA 124.605 1.162 . . . . 0.0 110.017 175.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.5 p -77.63 -39.65 44.51 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 124.031 0.832 . . . . 0.0 112.675 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -70.48 -34.32 72.24 Favored 'General case' 0 N--CA 1.517 2.895 0 C-N-CA 124.177 0.991 . . . . 0.0 113.636 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 80.8 m -71.37 -38.72 71.55 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 123.685 0.794 . . . . 0.0 110.435 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -57.78 -38.9 76.26 Favored 'General case' 0 C--N 1.393 2.466 0 C-N-CA 125.884 1.674 . . . . 0.0 113.184 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.01 -42.55 47.66 Favored 'General case' 0 CA--C 1.578 2.025 0 C-N-CA 124.475 1.11 . . . . 0.0 112.343 178.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.87 -38.46 83.1 Favored 'General case' 0 C--N 1.38 1.922 0 C-N-CA 125.58 1.552 . . . . 0.0 113.502 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 29.6 mt -69.22 -40.47 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.796 0 C-N-CA 125.946 1.698 . . . . 0.0 110.845 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.48 -42.47 98.57 Favored 'General case' 0 C--N 1.391 2.409 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.81 -41.56 71.44 Favored 'General case' 0 N--CA 1.515 2.796 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.2 p -70.87 -37.75 73.08 Favored 'General case' 0 N--CA 1.511 2.617 0 C-N-CA 124.312 1.045 . . . . 0.0 113.507 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -75.29 -28.96 59.95 Favored 'General case' 0 C--N 1.376 1.728 0 C-N-CA 123.973 0.909 . . . . 0.0 112.973 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -68.54 -37.66 80.15 Favored 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.44 73.46 Favored 'General case' 0 C--N 1.377 1.768 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.84 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.8 mt -73.85 -32.42 63.64 Favored 'General case' 0 C--N 1.388 2.263 0 C-N-CA 125.743 1.617 . . . . 0.0 112.631 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.06 -27.09 61.54 Favored 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 125.295 1.438 . . . . 0.0 113.358 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.78 -15.18 45.84 Favored 'General case' 0 C--N 1.381 1.953 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -178.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -101.71 -9.23 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 C-N-CA 123.797 0.839 . . . . 0.0 112.265 -177.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.2 t -100.85 6.13 43.63 Favored 'General case' 0 CA--C 1.58 2.133 0 C-N-CA 125.034 1.334 . . . . 0.0 111.068 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 . . . . . 0 N--CA 1.497 1.908 0 C-N-CA 123.786 0.835 . . . . 0.0 111.864 -176.173 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mmt . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 120.954 0.407 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 60.68 76.56 0.36 Allowed 'General case' 0 N--CA 1.528 3.446 0 C-N-CA 127.448 2.299 . . . . 0.0 113.79 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.73 -52.34 0.06 OUTLIER Pre-proline 0 CA--C 1.585 2.299 0 CA-C-O 116.001 -1.952 . . . . 0.0 113.542 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -71.21 114.84 4.05 Favored 'Trans proline' 1 C--N 1.452 6.011 0 CA-C-N 124.071 2.49 . . . . 0.0 114.795 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -99.42 -46.58 5.45 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 123.494 0.718 . . . . 0.0 111.552 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -41.22 42.17 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 125.485 1.514 . . . . 0.0 112.575 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -33.38 73.22 Favored 'General case' 0 C--N 1.382 2.001 0 O-C-N 124.557 1.161 . . . . 0.0 111.795 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -35.27 75.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 124.617 1.198 . . . . 0.0 111.179 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.5 m -71.55 -41.2 69.39 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 124.042 0.937 . . . . 0.0 111.133 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.02 -43.66 91.61 Favored 'General case' 0 C--N 1.388 2.241 0 O-C-N 124.339 1.025 . . . . 0.0 111.715 173.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -45.26 89.43 Favored 'General case' 0 C--N 1.397 2.642 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -70.11 -35.61 74.25 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 117.824 -1.084 . . . . 0.0 111.489 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.16 -28.68 70.22 Favored 'General case' 0 N--CA 1.509 2.517 0 C-N-CA 124.073 0.949 . . . . 0.0 112.007 175.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.1 t -77.09 -46.66 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.462 0 C-N-CA 125.636 1.575 . . . . 0.0 111.735 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.14 -29.67 66.65 Favored 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 123.698 0.799 . . . . 0.0 111.745 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.04 87.85 Favored 'General case' 0 N--CA 1.513 2.723 0 C-N-CA 125.902 1.681 . . . . 0.0 110.19 171.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -35.92 74.65 Favored 'General case' 0 C--N 1.378 1.834 0 C-N-CA 125.066 1.347 . . . . 0.0 110.622 177.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -59.83 -43.19 94.71 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 127.194 2.197 . . . . 0.0 112.056 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.19 -14.45 59.06 Favored 'General case' 0 N--CA 1.499 2.014 0 C-N-CA 124.105 0.962 . . . . 0.0 113.232 178.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 mp -97.55 -17.73 19.39 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.532 1.133 . . . . 0.0 109.141 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.88 16.24 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 127.036 2.135 . . . . 0.0 111.069 176.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.78 -77.15 0.28 Allowed Glycine 0 C--N 1.366 2.222 0 CA-C-O 116.687 -2.174 . . . . 0.0 114.163 -172.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.4 -3.04 8.19 Favored 'Trans proline' 1 C--N 1.421 4.392 0 CA-C-N 122.364 3.082 . . . . 0.0 115.776 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.1 mt -88.43 -13.74 39.71 Favored 'General case' 0 CA--C 1.58 2.131 0 C-N-CA 125.169 1.388 . . . . 0.0 111.995 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.56 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -61.43 -42.5 98.85 Favored 'General case' 0 N--CA 1.508 2.448 0 C-N-CA 126.72 2.008 . . . . 0.0 114.58 176.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.3 m -87.55 -30.38 20.6 Favored 'General case' 0 C--N 1.392 2.432 0 C-N-CA 124.9 1.28 . . . . 0.0 112.064 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -97.8 98.54 9.92 Favored 'General case' 0 N--CA 1.498 1.925 0 CA-C-N 114.957 -1.02 . . . . 0.0 111.34 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -97.69 116.7 30.42 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 114.7 -1.137 . . . . 0.0 112.893 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -136.87 -65.21 0.56 Allowed 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 124.645 1.178 . . . . 0.0 110.618 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -140.6 150.88 44.17 Favored 'General case' 0 C--N 1.382 1.996 0 C-N-CA 124.953 1.301 . . . . 0.0 108.994 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.1 m -111.04 104.58 56.37 Favored Pre-proline 0 C--N 1.391 2.391 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.91 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -80.28 -58.69 0.03 OUTLIER 'Trans proline' 1 C--N 1.433 4.977 0 C-N-CA 122.06 1.84 . . . . 0.0 115.555 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -121.26 17.87 11.49 Favored 'General case' 0 C--N 1.386 2.176 0 C-N-CA 125.009 1.323 . . . . 0.0 113.405 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.02 109.48 7.55 Favored 'General case' 0 N--CA 1.502 2.169 0 C-N-CA 122.94 0.496 . . . . 0.0 110.093 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.58 88.99 2.97 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 118.239 -1.385 . . . . 0.0 109.8 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -83.42 3.41 32.03 Favored 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 113.522 -1.672 . . . . 0.0 113.907 -177.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -80.03 -22.44 42.39 Favored 'General case' 0 C--N 1.371 1.518 0 C-N-CA 124.559 1.144 . . . . 0.0 111.336 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -93.15 -5.26 50.59 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 123.919 0.888 . . . . 0.0 112.672 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -118.22 152.84 34.92 Favored 'General case' 0 C--N 1.382 1.986 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.91 105.25 9.46 Favored 'General case' 0 C--N 1.384 2.092 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 0.4 OUTLIER -178.77 172.68 1.33 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 113.144 -1.843 . . . . 0.0 110.222 -177.556 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -86.91 -41.08 14.25 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 176.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.3 78.87 0.12 Allowed Glycine 0 N--CA 1.509 3.516 0 N-CA-C 119.428 2.531 . . . . 0.0 119.428 169.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.85 19.69 2.32 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 69.8 ttt180 -152.6 146.66 25.37 Favored 'General case' 0 C--N 1.389 2.313 0 C-N-CA 126.237 1.815 . . . . 0.0 110.422 -175.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.56 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 1.6 mt -69.08 -25.58 64.5 Favored 'General case' 0 N--CA 1.524 3.272 0 C-N-CA 124.032 0.933 . . . . 0.0 110.665 172.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.528 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -60.09 -39.42 95.75 Favored Glycine 0 N--CA 1.5 2.936 0 C-N-CA 125.022 1.296 . . . . 0.0 116.24 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.476 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 3.0 m-20 -75.45 -24.94 57.06 Favored 'General case' 0 N--CA 1.513 2.685 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -83.95 -30.61 26.12 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.407 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.87 -37.99 64.57 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 125.194 1.398 . . . . 0.0 111.675 177.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -33.7 74.12 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 125.491 1.517 . . . . 0.0 111.62 177.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -74.32 -31.7 62.56 Favored 'General case' 0 C--N 1.377 1.761 0 C-N-CA 123.692 0.797 . . . . 0.0 110.991 176.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.72 -40.54 72.75 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 113.754 -1.566 . . . . 0.0 111.967 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -68.61 -36.36 78.57 Favored 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 124.526 1.13 . . . . 0.0 111.16 175.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -72.0 -24.64 61.6 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 126.87 2.068 . . . . 0.0 112.289 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.8 m -76.34 -32.61 58.76 Favored 'General case' 0 C--N 1.387 2.22 0 C-N-CA 124.449 1.1 . . . . 0.0 109.889 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.5 -37.31 68.43 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 123.658 0.783 . . . . 0.0 112.459 177.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.9 p -69.97 -44.82 68.69 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -75.42 -30.02 59.91 Favored 'General case' 0 N--CA 1.517 2.91 0 CA-C-N 121.101 1.773 . . . . 0.0 113.441 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -70.28 -31.49 68.87 Favored 'General case' 0 C--N 1.393 2.483 0 C-N-CA 123.531 0.733 . . . . 0.0 111.713 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.51 -31.7 71.14 Favored 'General case' 0 C--N 1.388 2.261 0 C-N-CA 125.944 1.698 . . . . 0.0 111.188 175.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.62 -39.93 92.03 Favored 'General case' 0 C--N 1.387 2.228 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.608 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.5 -28.72 69.39 Favored 'General case' 0 C--N 1.396 2.616 0 C-N-CA 124.923 1.289 . . . . 0.0 112.91 174.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.34 -40.01 87.44 Favored 'Isoleucine or valine' 0 C--N 1.382 2.011 0 C-N-CA 125.4 1.48 . . . . 0.0 108.893 175.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -67.03 -16.43 64.35 Favored 'General case' 0 N--CA 1.506 2.33 0 C-N-CA 125.982 1.713 . . . . 0.0 112.326 174.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -79.65 -38.46 33.65 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 172.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.04 34.32 1.68 Allowed Glycine 0 C--N 1.38 3.009 0 N-CA-C 116.564 1.385 . . . . 0.0 116.564 171.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.55 108.8 21.6 Favored 'General case' 0 C--N 1.373 1.628 0 CA-C-O 121.925 0.869 . . . . 0.0 109.41 177.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.47 -22.21 61.1 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 113.563 -1.653 . . . . 0.0 112.435 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.3 m -71.3 -37.09 71.84 Favored 'General case' 0 CA--C 1.571 1.773 0 C-N-CA 125.136 1.374 . . . . 0.0 110.029 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -74.79 -22.7 58.6 Favored 'General case' 0 C--N 1.393 2.463 0 C-N-CA 124.366 1.066 . . . . 0.0 111.99 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.7 t -75.38 -47.73 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 C-N-CA 126.34 1.856 . . . . 0.0 109.561 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.56 -35.99 80.08 Favored 'General case' 0 C--N 1.381 1.976 0 C-N-CA 127.067 2.147 . . . . 0.0 112.372 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -38.95 89.5 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 126.069 1.748 . . . . 0.0 110.27 173.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.0 tt -72.05 -39.25 69.21 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 125.178 1.391 . . . . 0.0 109.281 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.86 94.22 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 124.736 1.214 . . . . 0.0 112.193 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.76 -39.31 76.77 Favored 'General case' 0 N--CA 1.517 2.897 0 C-N-CA 125.956 1.702 . . . . 0.0 111.621 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -72.67 -28.94 63.02 Favored 'General case' 0 CA--C 1.574 1.898 0 C-N-CA 125.066 1.347 . . . . 0.0 110.582 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.59 -46.62 63.09 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 124.057 0.943 . . . . 0.0 111.59 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.25 -40.12 82.03 Favored 'General case' 0 C--N 1.386 2.18 0 C-N-CA 125.017 1.327 . . . . 0.0 112.996 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.64 85.42 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 125.82 1.648 . . . . 0.0 112.05 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -73.43 -27.55 61.5 Favored 'General case' 0 C--N 1.376 1.728 0 C-N-CA 123.674 0.79 . . . . 0.0 112.633 176.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 34.6 mt -63.33 -45.81 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.392 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.37 -45.82 78.81 Favored 'General case' 0 N--CA 1.507 2.404 0 C-N-CA 124.803 1.241 . . . . 0.0 112.398 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.52 -42.82 64.37 Favored 'General case' 0 C--N 1.38 1.904 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -85.7 -46.33 10.83 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 13.5 mt-30 -65.22 -37.71 88.12 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 123.765 0.665 . . . . 0.0 112.75 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -75.67 -42.52 51.0 Favored 'General case' 0 CA--C 1.586 2.336 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 178.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -72.0 -31.94 66.7 Favored 'General case' 0 N--CA 1.514 2.752 0 CA-C-N 119.731 1.151 . . . . 0.0 110.152 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.99 -24.93 58.51 Favored 'General case' 0 C--N 1.383 2.03 0 C-N-CA 125.078 1.351 . . . . 0.0 110.799 175.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.5 85.26 Favored 'General case' 0 C--N 1.415 3.426 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 -177.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 p -79.57 -19.94 48.19 Favored 'General case' 0 C--N 1.395 2.558 0 C-N-CA 126.22 1.808 . . . . 0.0 111.687 176.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.21 -35.18 73.73 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.054 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.2 p -77.44 -11.87 59.89 Favored 'General case' 0 C--N 1.404 2.956 0 C-N-CA 124.586 1.154 . . . . 0.0 112.725 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 tt -93.51 -29.05 15.72 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 127.166 2.186 . . . . 0.0 110.083 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -83.36 8.19 14.37 Favored 'General case' 0 CA--C 1.57 1.718 0 C-N-CA 124.162 0.985 . . . . 0.0 112.459 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -78.47 -9.88 59.49 Favored 'General case' 0 N--CA 1.521 3.121 0 C-N-CA 125.701 1.6 . . . . 0.0 110.062 176.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -62.86 -46.51 87.53 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 109.911 -3.313 . . . . 0.0 104.729 169.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -148.46 -87.93 0.08 Allowed 'General case' 0 N--CA 1.528 3.446 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 176.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -32.18 -46.91 0.13 Allowed 'General case' 0 N--CA 1.526 3.345 0 N-CA-C 118.05 2.611 . . . . 0.0 118.05 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.15 -23.1 38.52 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -79.1 -4.03 48.29 Favored 'General case' 0 N--CA 1.507 2.412 0 C-N-CA 127.515 2.326 . . . . 0.0 113.488 -174.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 mt -75.67 -57.49 1.56 Allowed Pre-proline 0 CA--C 1.592 2.586 0 CA-C-O 116.431 -1.747 . . . . 0.0 110.926 -173.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -89.32 -8.5 4.62 Favored 'Trans proline' 1 C--N 1.455 6.158 0 CA-C-N 123.281 2.208 . . . . 0.0 115.838 174.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -108.54 -135.31 7.46 Favored Glycine 0 C--N 1.363 2.038 0 N-CA-C 116.867 1.507 . . . . 0.0 116.867 -176.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.72 -30.69 9.09 Favored Glycine 0 CA--C 1.542 1.735 0 CA-C-N 112.893 -1.653 . . . . 0.0 110.337 -173.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -119.88 -19.95 7.73 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 126.628 1.971 . . . . 0.0 110.565 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.83 -28.77 64.86 Favored 'General case' 0 N--CA 1.516 2.872 0 C-N-CA 125.26 1.424 . . . . 0.0 113.378 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -67.48 -35.12 78.54 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 125.129 1.372 . . . . 0.0 110.853 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -65.91 -35.69 81.31 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 125.57 1.548 . . . . 0.0 111.382 174.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -72.02 -49.54 36.03 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 123.639 0.776 . . . . 0.0 110.921 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.02 -60.9 2.52 Favored 'General case' 0 CA--C 1.589 2.479 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.86 -42.69 60.43 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 -177.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 41.6 mt-10 -71.04 -37.16 72.56 Favored 'General case' 0 N--CA 1.51 2.56 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -67.55 -39.52 84.96 Favored 'General case' 0 C--N 1.386 2.193 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 178.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -70.02 -39.5 75.77 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.5 -42.44 71.32 Favored 'General case' 0 N--CA 1.518 2.944 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -70.05 -36.95 75.38 Favored 'General case' 0 N--CA 1.503 2.219 0 C-N-CA 124.362 1.065 . . . . 0.0 112.561 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -73.49 -25.9 60.66 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 124.384 1.074 . . . . 0.0 112.537 177.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -48.33 68.26 Favored 'General case' 0 C--N 1.392 2.414 0 C-N-CA 125.165 1.386 . . . . 0.0 113.393 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -72.16 -38.2 69.2 Favored 'General case' 0 N--CA 1.508 2.459 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 152' ' ' LEU . 22.6 mt -59.92 -33.91 72.51 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 123.794 0.684 . . . . 0.0 110.326 174.144 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.3 mt -70.81 -34.87 72.18 Favored 'General case' 0 C--N 1.379 1.859 0 C-N-CA 124.684 1.194 . . . . 0.0 112.764 176.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.47 93.84 Favored 'General case' 0 C--N 1.408 3.114 0 C-N-CA 125.682 1.593 . . . . 0.0 111.93 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.0 mtt -63.83 -39.44 94.23 Favored 'General case' 0 C--N 1.389 2.317 0 O-C-N 125.026 1.454 . . . . 0.0 110.353 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 90.5 mttt -68.5 -38.75 81.24 Favored 'General case' 0 C--N 1.39 2.368 0 C-N-CA 124.74 1.216 . . . . 0.0 110.32 176.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -65.4 -36.97 85.56 Favored 'General case' 0 C--N 1.398 2.68 0 C-N-CA 125.206 1.402 . . . . 0.0 114.749 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.44 -39.89 85.44 Favored 'General case' 0 N--CA 1.508 2.433 0 C-N-CA 124.287 1.035 . . . . 0.0 111.114 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -76.24 -23.16 54.52 Favored 'General case' 0 C--N 1.382 1.996 0 C-N-CA 124.466 1.106 . . . . 0.0 112.486 177.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 43.2 mt-10 -69.04 -36.7 78.01 Favored 'General case' 0 N--CA 1.513 2.721 0 C-N-CA 125.269 1.428 . . . . 0.0 111.142 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -67.04 -39.36 86.94 Favored 'General case' 0 C--N 1.386 2.188 0 C-N-CA 124.831 1.253 . . . . 0.0 110.625 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.8 -37.76 79.47 Favored 'General case' 0 C--N 1.391 2.387 0 C-N-CA 124.946 1.298 . . . . 0.0 111.951 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -70.64 -33.48 71.04 Favored 'General case' 0 C--N 1.391 2.375 0 C-N-CA 124.911 1.284 . . . . 0.0 112.045 177.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.63 -37.9 87.88 Favored 'General case' 0 CA--C 1.573 1.851 0 C-N-CA 125.011 1.324 . . . . 0.0 113.124 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -90.41 -40.23 12.18 Favored 'General case' 0 C--N 1.385 2.122 0 N-CA-C 116.142 1.905 . . . . 0.0 116.142 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -105.8 -30.09 9.62 Favored 'General case' 0 C--N 1.394 2.505 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -174.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 55.31 26.32 8.48 Favored 'General case' 0 N--CA 1.532 3.67 0 C-N-CA 127.389 2.276 . . . . 0.0 116.494 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.45 137.77 63.67 Favored Pre-proline 0 N--CA 1.502 2.164 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -56.43 -15.19 14.52 Favored 'Trans proline' 1 C--N 1.435 5.121 0 C-N-CA 124.695 3.596 . . . . 0.0 116.784 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -68.68 -38.25 80.2 Favored 'General case' 0 N--CA 1.526 3.355 0 C-N-CA 124.268 1.027 . . . . 0.0 113.164 -178.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.507 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -77.79 -30.01 51.11 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 126.664 1.985 . . . . 0.0 110.055 -179.649 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.67 -37.68 79.8 Favored 'General case' 0 C--N 1.376 1.747 0 C-N-CA 126.85 2.06 . . . . 0.0 110.198 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.9 -33.85 72.75 Favored 'General case' 0 C--N 1.38 1.893 0 C-N-CA 124.157 0.983 . . . . 0.0 110.71 173.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.14 -42.68 65.71 Favored 'General case' 0 N--CA 1.512 2.636 0 C-N-CA 125.087 1.355 . . . . 0.0 114.391 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 6.5 mt -66.68 -43.43 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.17 0 C-N-CA 125.309 1.444 . . . . 0.0 109.139 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.2 m -62.75 -42.03 99.48 Favored 'General case' 0 CA--C 1.588 2.436 0 C-N-CA 125.916 1.686 . . . . 0.0 111.272 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.58 -39.0 92.32 Favored 'General case' 0 N--CA 1.513 2.703 0 C-N-CA 124.603 1.161 . . . . 0.0 112.173 175.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.52 -26.88 61.07 Favored 'General case' 0 C--N 1.38 1.922 0 C-N-CA 125.127 1.371 . . . . 0.0 112.036 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.76 -36.96 85.99 Favored 'General case' 0 C--N 1.393 2.491 0 C-N-CA 125.796 1.638 . . . . 0.0 111.781 176.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -74.96 -35.53 62.1 Favored 'General case' 0 C--N 1.392 2.424 0 C-N-CA 125.564 1.546 . . . . 0.0 110.044 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -70.48 -33.35 71.13 Favored 'General case' 0 C--N 1.389 2.299 0 C-N-CA 125.441 1.496 . . . . 0.0 112.717 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 122' ' ' LEU . 1.0 OUTLIER -66.66 -37.83 85.61 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 124.873 1.269 . . . . 0.0 109.424 174.751 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 18.3 p -77.12 -35.57 56.18 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 123.767 0.667 . . . . 0.0 112.362 176.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -69.87 -35.06 74.38 Favored 'General case' 0 N--CA 1.518 2.958 0 C-N-CA 124.084 0.954 . . . . 0.0 113.179 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 82.5 m -69.4 -38.05 77.78 Favored 'General case' 0 C--N 1.386 2.187 0 C-N-CA 123.965 0.906 . . . . 0.0 110.205 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -58.35 -38.34 77.02 Favored 'General case' 0 C--N 1.393 2.483 0 C-N-CA 126.274 1.83 . . . . 0.0 112.303 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.9 m -67.19 -42.95 83.33 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 125.267 1.427 . . . . 0.0 110.799 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.46 -38.78 88.1 Favored 'General case' 0 C--N 1.382 2.01 0 C-N-CA 126.043 1.737 . . . . 0.0 112.576 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 37.8 mt -67.88 -43.12 86.21 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.071 0 C-N-CA 126.074 1.749 . . . . 0.0 110.169 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.15 93.46 Favored 'General case' 0 C--N 1.39 2.36 0 C-N-CA 124.613 1.165 . . . . 0.0 113.857 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.74 -39.36 87.9 Favored 'General case' 0 N--CA 1.512 2.654 0 C-N-CA 125.04 1.336 . . . . 0.0 113.398 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.2 p -71.46 -31.9 67.7 Favored 'General case' 0 N--CA 1.51 2.547 0 C-N-CA 124.385 1.074 . . . . 0.0 112.549 178.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.04 -35.86 77.07 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 125.153 1.381 . . . . 0.0 111.874 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.57 -35.98 81.54 Favored 'General case' 0 N--CA 1.513 2.712 0 C-N-CA 125.389 1.475 . . . . 0.0 112.244 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -66.71 -33.7 76.22 Favored 'General case' 0 N--CA 1.501 2.096 0 C-N-CA 124.912 1.285 . . . . 0.0 111.507 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.8 mt -76.88 -33.03 57.85 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 125.263 1.425 . . . . 0.0 112.358 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -69.38 -44.56 71.24 Favored 'General case' 0 N--CA 1.511 2.62 0 C-N-CA 126.305 1.842 . . . . 0.0 114.742 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -86.61 -34.57 19.81 Favored 'General case' 0 C--N 1.374 1.669 0 C-N-CA 125.367 1.467 . . . . 0.0 113.949 -177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . 0.298 0.9 OUTLIER 26.14 42.6 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.535 3.809 0 C-N-CA 128.268 2.627 . . . . 0.0 116.9 -175.472 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 170' ' ' THR . . . . . 0.43 ' H ' ' H ' ' A' ' 171' ' ' ARG . 0.6 OUTLIER -154.53 -15.7 0.12 Allowed 'General case' 0 C--O 1.249 1.043 0 CA-C-N 111.486 -2.597 . . . . 0.0 109.529 179.461 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ARG . . . . . 0.43 ' H ' ' H ' ' A' ' 170' ' ' THR . 92.7 mtt180 . . . . . 0 N--CA 1.53 3.552 0 C-N-CA 126.85 2.06 . . . . 0.0 113.198 -176.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 mtt . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.013 0.435 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -101.72 -27.99 12.73 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 124.028 0.931 . . . . 0.0 112.798 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.43 125.51 29.11 Favored Pre-proline 0 CA--C 1.577 1.987 0 C-N-CA 123.819 0.847 . . . . 0.0 111.418 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -62.45 120.73 8.41 Favored 'Trans proline' 1 C--N 1.431 4.911 0 C-N-CA 123.666 2.911 . . . . 0.0 115.622 178.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.0 -49.61 4.06 Favored 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 123.963 0.905 . . . . 0.0 111.403 177.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.26 -37.93 51.98 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 125.361 1.464 . . . . 0.0 112.697 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -32.18 70.56 Favored 'General case' 0 C--N 1.381 1.938 0 C-N-CA 124.327 1.051 . . . . 0.0 110.248 178.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -36.35 79.25 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 124.534 1.146 . . . . 0.0 111.26 176.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -72.12 -41.12 67.57 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 123.709 0.804 . . . . 0.0 110.889 177.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.11 -43.56 91.91 Favored 'General case' 0 C--N 1.388 2.282 0 O-C-N 124.506 1.129 . . . . 0.0 112.216 173.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -66.17 -40.15 90.29 Favored 'General case' 0 C--N 1.4 2.804 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 m -70.11 -36.72 75.06 Favored 'General case' 0 C--N 1.377 1.802 0 CA-C-O 117.246 -1.359 . . . . 0.0 110.172 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.29 -28.66 70.17 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 119.173 0.897 . . . . 0.0 111.718 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.6 t -75.57 -46.85 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 C-N-CA 125.225 1.41 . . . . 0.0 110.584 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.57 -28.78 65.16 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 118.972 0.805 . . . . 0.0 111.212 175.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.44 94.63 Favored 'General case' 0 N--CA 1.507 2.384 0 C-N-CA 125.155 1.382 . . . . 0.0 108.803 171.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.98 -34.73 71.68 Favored 'General case' 0 C--N 1.375 1.693 0 CA-C-O 117.421 -1.276 . . . . 0.0 111.186 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -57.76 -42.79 84.71 Favored 'General case' 0 N--CA 1.531 3.599 0 C-N-CA 125.792 1.637 . . . . 0.0 112.699 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.66 -15.26 46.02 Favored 'General case' 0 CA--C 1.562 1.404 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mp -99.12 -18.61 17.62 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.706 0.803 . . . . 0.0 110.365 -176.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 pp -107.37 -19.13 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 125.255 1.422 . . . . 0.0 112.287 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.47 -69.81 0.73 Allowed Glycine 0 C--N 1.379 2.923 0 CA-C-O 116.894 -2.059 . . . . 0.0 114.016 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.31 -22.79 16.57 Favored 'Trans proline' 0 CA--C 1.597 3.666 0 CA-C-N 121.904 2.852 . . . . 0.0 116.705 174.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.0 0.3 57.47 Favored 'General case' 0 CA--C 1.587 2.381 0 C-N-CA 124.884 1.274 . . . . 0.0 113.462 177.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.427 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -67.46 -44.0 79.67 Favored 'General case' 0 N--CA 1.51 2.532 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 177.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.6 m -88.15 -34.12 17.97 Favored 'General case' 0 C--N 1.392 2.432 0 C-N-CA 123.789 0.836 . . . . 0.0 111.897 -178.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -98.77 120.18 38.78 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-N 114.106 -1.406 . . . . 0.0 112.028 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -108.12 123.85 49.33 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 123.738 0.815 . . . . 0.0 112.75 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -135.48 -70.01 0.49 Allowed 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 124.497 1.119 . . . . 0.0 110.336 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -148.57 151.45 35.1 Favored 'General case' 0 CA--C 1.577 2.015 0 C-N-CA 125.507 1.523 . . . . 0.0 108.425 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.0 m -110.93 106.29 57.53 Favored Pre-proline 0 C--N 1.392 2.454 0 C-N-CA 123.387 0.675 . . . . 0.0 112.361 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -81.52 -58.9 0.03 OUTLIER 'Trans proline' 1 C--N 1.435 5.099 0 C-N-CA 122.001 1.801 . . . . 0.0 116.111 177.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -120.6 17.44 12.03 Favored 'General case' 0 C--N 1.386 2.181 0 C-N-CA 125.119 1.367 . . . . 0.0 112.117 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.95 108.92 5.45 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 123.58 0.752 . . . . 0.0 109.595 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.26 95.4 5.55 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 118.728 -1.189 . . . . 0.0 111.305 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.01 0.58 47.54 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 113.733 -1.576 . . . . 0.0 113.402 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -77.97 -23.54 48.41 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 124.421 1.088 . . . . 0.0 111.546 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.03 -6.56 47.99 Favored 'General case' 0 C--N 1.39 2.334 0 C-N-CA 123.361 0.664 . . . . 0.0 112.392 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.2 153.17 34.31 Favored 'General case' 0 C--N 1.383 2.022 0 C-N-CA 123.73 0.812 . . . . 0.0 112.764 -178.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.46 104.9 9.0 Favored 'General case' 0 C--N 1.385 2.128 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.474 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 0.5 OUTLIER -174.79 174.37 2.6 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 113.51 -1.677 . . . . 0.0 110.964 -178.223 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -87.99 -40.85 13.55 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 175.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.21 65.71 3.28 Favored Glycine 0 N--CA 1.509 3.512 0 N-CA-C 119.802 2.681 . . . . 0.0 119.802 169.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.89 21.13 4.97 Favored 'General case' 0 C--N 1.371 1.506 0 CA-C-N 119.805 1.803 . . . . 0.0 106.632 176.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.456 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 66.6 ttt180 -150.23 144.0 25.33 Favored 'General case' 0 C--N 1.385 2.112 0 C-N-CA 126.022 1.729 . . . . 0.0 110.333 -176.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.427 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -70.44 -24.25 62.86 Favored 'General case' 0 N--CA 1.521 3.079 0 C-N-CA 123.991 0.917 . . . . 0.0 110.429 173.086 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.456 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -62.3 -39.26 97.49 Favored Glycine 0 C--N 1.378 2.914 0 C-N-CA 125.134 1.35 . . . . 0.0 115.918 177.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.474 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 3.0 m-20 -73.83 -26.75 60.76 Favored 'General case' 0 N--CA 1.517 2.879 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -82.85 -29.79 29.15 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.9 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.61 -37.07 60.07 Favored 'General case' 0 C--N 1.376 1.725 0 C-N-CA 125.195 1.398 . . . . 0.0 112.691 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -30.45 68.31 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 125.247 1.419 . . . . 0.0 111.137 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -77.63 -29.77 51.93 Favored 'General case' 0 C--N 1.375 1.7 0 C-N-CA 123.687 0.795 . . . . 0.0 109.923 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.14 71.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 125.136 1.522 . . . . 0.0 111.905 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -36.7 74.87 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 123.685 0.794 . . . . 0.0 111.797 174.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.27 -25.37 61.58 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 126.386 1.874 . . . . 0.0 112.536 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.4 m -77.45 -32.79 54.69 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 124.176 0.991 . . . . 0.0 109.873 178.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.61 -39.38 70.52 Favored 'General case' 0 CA--C 1.583 2.236 0 C-N-CA 125.51 1.524 . . . . 0.0 111.687 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.5 p -70.68 -44.57 66.74 Favored 'General case' 0 N--CA 1.509 2.514 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -75.04 -27.93 60.22 Favored 'General case' 0 N--CA 1.523 3.179 0 CA-C-N 120.979 1.718 . . . . 0.0 113.824 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.06 -32.13 70.09 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 123.641 0.776 . . . . 0.0 111.492 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 0.1 OUTLIER -68.62 -30.75 69.54 Favored 'General case' 0 C--N 1.386 2.179 0 C-N-CA 125.449 1.5 . . . . 0.0 111.27 175.524 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.64 92.61 Favored 'General case' 0 C--N 1.39 2.334 0 C-N-CA 124.359 1.063 . . . . 0.0 112.024 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.83 -27.54 68.95 Favored 'General case' 0 C--N 1.394 2.52 0 C-N-CA 125.065 1.346 . . . . 0.0 112.841 173.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 83.2 t -64.85 -38.98 84.12 Favored 'Isoleucine or valine' 0 C--N 1.382 1.985 0 C-N-CA 125.271 1.428 . . . . 0.0 108.374 174.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -64.53 -24.84 67.74 Favored 'General case' 0 N--CA 1.511 2.617 0 C-N-CA 125.581 1.553 . . . . 0.0 111.746 173.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -70.87 -39.51 72.83 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 118.856 0.753 . . . . 0.0 109.166 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.5 27.95 4.21 Favored Glycine 0 C--N 1.378 2.906 0 N-CA-C 115.854 1.101 . . . . 0.0 115.854 171.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.5 114.95 27.25 Favored 'General case' 0 C--N 1.372 1.581 0 CA-C-O 121.955 0.884 . . . . 0.0 110.02 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.34 -27.34 63.3 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 113.017 -1.901 . . . . 0.0 112.361 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.0 m -71.34 -37.92 71.69 Favored 'General case' 0 CA--C 1.571 1.773 0 C-N-CA 125.273 1.429 . . . . 0.0 110.279 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -74.72 -22.58 58.74 Favored 'General case' 0 C--N 1.388 2.254 0 C-N-CA 124.403 1.081 . . . . 0.0 112.005 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.3 t -76.29 -46.44 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 C-N-CA 125.675 1.59 . . . . 0.0 109.517 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.32 81.59 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 127.159 2.184 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -37.96 86.14 Favored 'General case' 0 N--CA 1.503 2.209 0 C-N-CA 126.711 2.004 . . . . 0.0 110.26 173.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.26 -38.69 68.81 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 125.499 1.52 . . . . 0.0 109.116 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.7 91.52 Favored 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 125.103 1.361 . . . . 0.0 112.245 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.79 -38.74 76.76 Favored 'General case' 0 N--CA 1.519 3.009 0 C-N-CA 126.024 1.729 . . . . 0.0 111.187 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -72.93 -29.26 62.97 Favored 'General case' 0 CA--C 1.574 1.885 0 C-N-CA 125.366 1.466 . . . . 0.0 110.611 174.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.52 -46.76 63.01 Favored 'General case' 0 C--N 1.377 1.762 0 C-N-CA 124.209 1.003 . . . . 0.0 111.9 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.4 -39.74 81.56 Favored 'General case' 0 C--N 1.384 2.105 0 C-N-CA 124.886 1.274 . . . . 0.0 112.914 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.51 -37.28 82.57 Favored 'General case' 0 C--N 1.388 2.281 0 C-N-CA 125.818 1.647 . . . . 0.0 112.399 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -73.55 -27.67 61.46 Favored 'General case' 0 C--N 1.375 1.716 0 C-N-CA 123.755 0.822 . . . . 0.0 112.638 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.492 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 28.6 mt -63.51 -45.64 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.275 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 175.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.0 mt-10 -66.93 -45.97 76.22 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 124.475 1.11 . . . . 0.0 112.505 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.82 -44.88 54.39 Favored 'General case' 0 C--N 1.378 1.806 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 mp -85.63 -44.76 12.33 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -174.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 34.9 mt-30 -68.5 -37.75 80.37 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 124.0 0.813 . . . . 0.0 113.016 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 6.5 mtt180 -78.17 -34.03 49.9 Favored 'General case' 0 C--N 1.387 2.206 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 178.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.07 -25.01 51.86 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-N 119.098 0.863 . . . . 0.0 109.634 177.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.6 57.22 Favored 'General case' 0 C--N 1.389 2.297 0 C-N-CA 124.402 1.081 . . . . 0.0 109.424 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.3 -29.22 63.65 Favored 'General case' 0 C--N 1.403 2.893 0 C-N-CA 125.638 1.575 . . . . 0.0 112.683 178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.05 -22.56 27.15 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.373 1.069 . . . . 0.0 109.821 175.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.59 -27.23 51.25 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 125.37 1.468 . . . . 0.0 112.067 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.3 p -78.63 -11.3 59.96 Favored 'General case' 0 N--CA 1.514 2.744 0 C-N-CA 125.384 1.474 . . . . 0.0 111.471 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.3 tt -93.17 -38.08 11.76 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 127.342 2.257 . . . . 0.0 109.498 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -76.85 -0.4 23.91 Favored 'General case' 0 C--N 1.372 1.549 0 C-N-CA 124.901 1.28 . . . . 0.0 111.74 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -72.26 -10.89 60.38 Favored 'General case' 0 N--CA 1.509 2.492 0 C-N-CA 125.664 1.586 . . . . 0.0 112.248 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -60.66 -44.83 95.98 Favored 'General case' 0 CA--C 1.576 1.954 0 CA-C-N 110.318 -3.128 . . . . 0.0 106.129 170.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -154.57 -33.67 0.1 Allowed 'General case' 1 N--CA 1.541 4.107 0 N-CA-C 119.848 3.277 . . . . 0.0 119.848 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.16 -38.18 12.3 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 124.867 1.267 . . . . 0.0 113.604 -175.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.29 -23.9 34.97 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -81.3 -1.23 44.39 Favored 'General case' 0 C--N 1.382 2.017 0 C-N-CA 126.995 2.118 . . . . 0.0 111.159 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.4 mt -65.81 -53.13 37.52 Favored Pre-proline 0 C--N 1.389 2.319 0 CA-C-O 115.327 -2.273 . . . . 0.0 112.977 -171.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -64.74 -40.72 21.15 Favored 'Trans proline' 1 C--N 1.459 6.351 0 CA-C-N 124.586 2.673 . . . . 0.0 113.819 174.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.36 151.13 24.0 Favored Glycine 0 C--N 1.374 2.673 0 N-CA-C 116.066 1.186 . . . . 0.0 116.066 173.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 96.05 -126.58 8.84 Favored Glycine 0 N--CA 1.473 1.14 0 N-CA-C 118.366 2.106 . . . . 0.0 118.366 172.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -92.79 21.43 5.6 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 -175.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.18 -43.16 71.35 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 119.488 1.04 . . . . 0.0 112.502 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -72.72 -34.8 67.35 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 125.044 1.337 . . . . 0.0 111.588 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.15 -36.89 84.32 Favored 'General case' 0 C--N 1.383 2.06 0 C-N-CA 125.563 1.545 . . . . 0.0 111.087 173.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 3.0 mpt_? -75.08 -50.51 16.18 Favored 'General case' 0 C--N 1.371 1.529 0 CA-C-O 118.587 -0.72 . . . . 0.0 111.106 176.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.47 -60.35 3.03 Favored 'General case' 0 CA--C 1.597 2.778 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.96 -42.35 19.54 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 40.0 mt-10 -71.76 -35.52 70.11 Favored 'General case' 0 N--CA 1.512 2.651 0 CA-C-N 119.597 1.089 . . . . 0.0 113.688 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.54 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.3 m-85 -66.76 -41.03 88.41 Favored 'General case' 0 C--N 1.394 2.537 0 CA-C-O 118.606 -0.712 . . . . 0.0 111.673 177.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -66.09 -37.61 86.21 Favored 'General case' 0 C--N 1.394 2.515 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.5 -42.87 82.15 Favored 'General case' 0 N--CA 1.519 2.992 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -70.73 -34.64 72.11 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 124.244 1.018 . . . . 0.0 112.29 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.58 -26.88 61.87 Favored 'General case' 0 C--N 1.379 1.89 0 C-N-CA 124.977 1.311 . . . . 0.0 112.404 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -47.31 69.08 Favored 'General case' 0 C--N 1.39 2.336 0 C-N-CA 125.147 1.379 . . . . 0.0 113.16 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -72.13 -38.78 69.17 Favored 'General case' 0 N--CA 1.509 2.523 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.9 -33.26 72.85 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 123.686 0.616 . . . . 0.0 110.464 174.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -34.65 72.2 Favored 'General case' 0 C--N 1.38 1.933 0 C-N-CA 124.951 1.301 . . . . 0.0 111.794 176.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.51 91.41 Favored 'General case' 0 C--N 1.41 3.205 0 C-N-CA 125.579 1.552 . . . . 0.0 112.408 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.8 mtt -64.53 -39.52 93.92 Favored 'General case' 0 C--N 1.388 2.259 0 O-C-N 124.826 1.329 . . . . 0.0 110.52 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -70.08 -38.62 75.75 Favored 'General case' 0 C--N 1.383 2.024 0 C-N-CA 124.412 1.085 . . . . 0.0 110.635 176.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -63.48 -38.72 92.21 Favored 'General case' 0 C--N 1.397 2.647 0 C-N-CA 125.062 1.345 . . . . 0.0 114.57 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.33 -40.01 77.84 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 124.09 0.956 . . . . 0.0 111.234 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -74.11 -28.47 61.37 Favored 'General case' 0 N--CA 1.503 2.221 0 C-N-CA 124.322 1.049 . . . . 0.0 112.854 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -69.01 -36.09 77.41 Favored 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 125.376 1.471 . . . . 0.0 111.62 176.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -66.27 -38.73 88.52 Favored 'General case' 0 C--N 1.388 2.259 0 C-N-CA 125.066 1.347 . . . . 0.0 110.377 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -68.63 -36.81 79.12 Favored 'General case' 0 C--N 1.388 2.263 0 C-N-CA 125.0 1.32 . . . . 0.0 111.736 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -70.13 -33.14 71.45 Favored 'General case' 0 C--N 1.392 2.445 0 C-N-CA 125.006 1.322 . . . . 0.0 111.97 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.4 -38.54 90.26 Favored 'General case' 0 CA--C 1.573 1.846 0 C-N-CA 125.001 1.32 . . . . 0.0 113.169 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -91.36 -38.72 12.44 Favored 'General case' 0 C--N 1.385 2.151 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -105.69 -29.85 9.83 Favored 'General case' 0 C--N 1.394 2.506 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -175.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 56.38 27.49 12.09 Favored 'General case' 0 N--CA 1.53 3.532 0 C-N-CA 127.386 2.274 . . . . 0.0 116.554 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.57 136.97 59.19 Favored Pre-proline 0 N--CA 1.502 2.166 0 N-CA-C 113.296 0.851 . . . . 0.0 113.296 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -57.29 -15.01 17.26 Favored 'Trans proline' 1 C--N 1.436 5.135 0 C-N-CA 124.775 3.65 . . . . 0.0 116.678 177.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 52.1 mt-30 -68.73 -37.63 79.6 Favored 'General case' 0 N--CA 1.528 3.436 0 C-N-CA 124.517 1.127 . . . . 0.0 113.187 -177.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.3 OUTLIER -77.72 -29.28 51.15 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 126.381 1.872 . . . . 0.0 110.359 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.09 -37.81 75.52 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 127.026 2.13 . . . . 0.0 111.267 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.28 -34.6 72.97 Favored 'General case' 0 C--N 1.379 1.882 0 O-C-N 124.158 0.911 . . . . 0.0 110.35 173.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 36.9 mt-10 -72.74 -41.94 64.61 Favored 'General case' 0 C--N 1.393 2.492 0 C-N-CA 125.145 1.378 . . . . 0.0 113.703 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.15 -38.81 78.56 Favored 'Isoleucine or valine' 0 C--N 1.401 2.82 0 C-N-CA 124.799 1.24 . . . . 0.0 112.277 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.0 m -66.93 -38.82 86.9 Favored 'General case' 0 CA--C 1.582 2.191 0 C-N-CA 125.783 1.633 . . . . 0.0 110.151 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.95 95.16 Favored 'General case' 0 N--CA 1.514 2.761 0 C-N-CA 124.737 1.215 . . . . 0.0 112.444 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.2 mt -73.65 -27.41 61.24 Favored 'General case' 0 C--N 1.378 1.833 0 C-N-CA 125.14 1.376 . . . . 0.0 111.736 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -36.62 83.33 Favored 'General case' 0 C--N 1.392 2.414 0 C-N-CA 125.82 1.648 . . . . 0.0 112.255 176.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -74.83 -36.16 62.41 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 125.383 1.473 . . . . 0.0 109.941 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -71.43 -33.96 69.88 Favored 'General case' 0 C--N 1.386 2.192 0 C-N-CA 125.322 1.449 . . . . 0.0 112.566 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -38.18 89.46 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 124.38 1.072 . . . . 0.0 110.064 174.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.2 p -77.14 -39.1 50.44 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.822 0.701 . . . . 0.0 112.569 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -71.49 -32.91 68.78 Favored 'General case' 0 N--CA 1.516 2.826 0 C-N-CA 124.117 0.967 . . . . 0.0 113.566 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 3.9 t -73.59 -37.86 65.31 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 123.744 0.817 . . . . 0.0 109.7 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -58.31 -38.21 76.62 Favored 'General case' 0 C--N 1.396 2.594 0 C-N-CA 125.902 1.681 . . . . 0.0 112.71 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 6.4 m -71.5 -40.83 69.93 Favored 'General case' 0 CA--C 1.581 2.153 0 C-N-CA 124.899 1.28 . . . . 0.0 111.092 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.63 -37.99 80.17 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 126.019 1.728 . . . . 0.0 113.07 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 30.7 mt -65.68 -42.7 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 126.387 1.875 . . . . 0.0 110.902 176.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.69 97.46 Favored 'General case' 0 C--N 1.39 2.329 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.55 -41.36 72.56 Favored 'General case' 0 N--CA 1.515 2.777 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.4 p -71.2 -37.13 72.11 Favored 'General case' 0 N--CA 1.51 2.529 0 C-N-CA 124.13 0.972 . . . . 0.0 113.362 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -73.48 -30.98 63.49 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 124.286 1.034 . . . . 0.0 112.891 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -69.07 -37.01 78.25 Favored 'General case' 0 N--CA 1.509 2.511 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.77 74.0 Favored 'General case' 0 C--N 1.377 1.762 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.829 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.1 mt -73.31 -32.35 64.54 Favored 'General case' 0 C--N 1.388 2.27 0 C-N-CA 126.017 1.727 . . . . 0.0 112.576 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -72.93 -27.64 61.97 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 125.168 1.387 . . . . 0.0 113.616 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.95 -15.81 43.12 Favored 'General case' 0 C--N 1.382 2.014 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.74 -10.36 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 C-N-CA 123.669 0.788 . . . . 0.0 112.213 -177.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.43 4.6 43.9 Favored 'General case' 0 CA--C 1.576 1.947 0 C-N-CA 124.958 1.303 . . . . 0.0 111.482 178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 . . . . . 0 N--CA 1.527 3.416 0 C-N-CA 127.269 2.227 . . . . 0.0 112.844 -175.645 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mmt . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 119.386 -0.34 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -119.4 134.9 54.99 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 124.268 1.027 . . . . 0.0 111.606 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.09 123.16 30.39 Favored Pre-proline 0 CA--C 1.575 1.918 0 C-N-CA 123.862 0.865 . . . . 0.0 110.916 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -62.81 120.95 8.67 Favored 'Trans proline' 1 C--N 1.431 4.884 0 C-N-CA 123.356 2.704 . . . . 0.0 115.041 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.74 -50.9 3.72 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.479 0.712 . . . . 0.0 111.73 178.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.11 -38.15 52.77 Favored 'General case' 0 C--N 1.377 1.79 0 C-N-CA 124.595 1.158 . . . . 0.0 112.231 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -31.97 73.02 Favored 'General case' 0 C--N 1.381 1.957 0 O-C-N 124.491 1.12 . . . . 0.0 109.782 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -39.13 88.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 124.897 1.373 . . . . 0.0 111.78 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.8 m -79.19 -20.78 47.52 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 123.65 0.78 . . . . 0.0 112.749 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.65 -47.75 25.06 Favored 'General case' 0 CA--C 1.566 1.596 0 CA-C-N 114.293 -1.322 . . . . 0.0 110.191 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -36.31 74.95 Favored 'General case' 0 C--N 1.393 2.486 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -71.0 -36.32 72.42 Favored 'General case' 0 C--N 1.385 2.111 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.789 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -63.46 -29.54 70.81 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 123.735 0.647 . . . . 0.0 111.017 174.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.2 t -74.61 -45.66 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.384 0 C-N-CA 125.172 1.389 . . . . 0.0 110.935 177.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.67 -28.45 65.88 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 119.194 0.907 . . . . 0.0 111.618 175.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.85 86.7 Favored 'General case' 0 N--CA 1.513 2.714 0 C-N-CA 126.26 1.824 . . . . 0.0 111.364 171.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -36.82 61.7 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 124.911 1.285 . . . . 0.0 110.739 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -63.21 -38.48 91.35 Favored 'General case' 0 N--CA 1.5 2.063 0 C-N-CA 127.078 2.151 . . . . 0.0 111.917 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -69.94 -29.7 66.91 Favored 'General case' 0 N--CA 1.511 2.589 0 C-N-CA 124.411 1.084 . . . . 0.0 111.804 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.77 -18.36 44.4 Favored 'General case' 0 CA--C 1.587 2.369 0 C-N-CA 124.952 1.301 . . . . 0.0 111.815 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.6 mt -111.54 17.33 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.638 0 C-N-CA 128.209 2.604 . . . . 0.0 108.232 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.26 -87.5 0.07 OUTLIER Glycine 0 C--N 1.377 2.807 0 CA-C-O 116.339 -2.367 . . . . 0.0 112.914 -175.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.84 -2.15 3.32 Favored 'Trans proline' 1 C--N 1.423 4.463 0 CA-C-N 122.563 3.181 . . . . 0.0 114.744 174.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.4 -10.44 52.03 Favored 'General case' 0 CA--C 1.578 2.039 0 C-N-CA 127.348 2.259 . . . . 0.0 112.953 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.402 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -63.19 -45.14 93.14 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 126.913 2.085 . . . . 0.0 116.195 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 44' ' ' ALA . 58.5 m -93.06 -32.72 14.37 Favored 'General case' 0 C--N 1.383 2.059 0 C-N-CA 124.087 0.955 . . . . 0.0 110.96 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -118.38 115.63 25.07 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-N 113.519 -1.673 . . . . 0.0 112.14 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -79.1 127.46 32.04 Favored 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -127.69 168.1 15.53 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 125.536 1.535 . . . . 0.0 110.041 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.77 90.33 1.41 Allowed 'General case' 0 CA--C 1.59 2.487 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -178.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.6 t -115.32 122.04 33.82 Favored Pre-proline 0 CA--C 1.584 2.28 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 176.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.03 -16.41 32.25 Favored 'Trans proline' 1 C--N 1.428 4.725 0 C-N-CA 123.215 2.61 . . . . 0.0 116.792 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -100.39 10.83 40.66 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 125.329 1.452 . . . . 0.0 113.649 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.59 106.91 0.85 Allowed 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 123.942 0.897 . . . . 0.0 111.955 -173.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.02 94.24 3.22 Favored 'General case' 0 C--N 1.373 1.6 0 CA-C-O 121.877 0.846 . . . . 0.0 111.21 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -85.8 -0.24 54.75 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 113.717 -1.583 . . . . 0.0 114.178 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -80.37 -21.74 42.08 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 123.59 0.756 . . . . 0.0 111.716 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mt -88.1 -3.42 58.89 Favored 'General case' 0 C--N 1.389 2.325 0 C-N-CA 124.331 1.052 . . . . 0.0 112.175 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -122.76 157.42 32.4 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 125.124 1.37 . . . . 0.0 112.376 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.06 112.68 18.06 Favored 'General case' 0 C--N 1.375 1.717 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -136.02 159.79 40.62 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.692 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -106.8 48.25 0.85 Allowed 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.31 -69.23 0.48 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 118.029 1.972 . . . . 0.0 118.029 170.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 26' ' ' SER . . . -175.35 65.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 118.72 1.26 . . . . 0.0 109.473 -178.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -140.5 136.95 33.45 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.402 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -70.16 -25.91 63.67 Favored 'General case' 0 N--CA 1.526 3.365 0 O-C-N 124.017 0.823 . . . . 0.0 108.981 170.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.73 -36.74 93.73 Favored Glycine 0 C--N 1.379 2.969 0 C-N-CA 125.264 1.412 . . . . 0.0 114.719 176.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.52 -24.37 42.27 Favored 'General case' 0 C--N 1.392 2.437 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -177.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -81.25 -30.65 34.05 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.4 -38.4 55.71 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 125.404 1.482 . . . . 0.0 113.17 178.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -30.52 67.41 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 125.51 1.524 . . . . 0.0 111.527 177.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -81.18 -29.46 34.61 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 123.377 0.671 . . . . 0.0 109.75 178.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.24 -38.17 66.1 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.646 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -68.72 -37.39 79.43 Favored 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 124.497 1.119 . . . . 0.0 110.139 175.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -72.19 -24.38 61.41 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 126.496 1.919 . . . . 0.0 112.17 177.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.37 -30.6 42.63 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 124.034 0.934 . . . . 0.0 109.443 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.89 -40.92 65.19 Favored 'General case' 0 C--N 1.384 2.099 0 C-N-CA 124.628 1.171 . . . . 0.0 111.031 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.0 p -70.99 -30.33 66.55 Favored 'General case' 0 N--CA 1.505 2.295 0 C-N-CA 125.615 1.566 . . . . 0.0 113.215 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -77.75 -36.77 50.33 Favored 'General case' 0 N--CA 1.505 2.307 0 C-N-CA 123.462 0.705 . . . . 0.0 112.303 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -71.13 -30.83 66.98 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 124.825 1.25 . . . . 0.0 111.713 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.491 ' O ' HG22 ' A' ' 64' ' ' VAL . 1.9 mt-10 -67.78 -33.97 75.88 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 126.206 1.802 . . . . 0.0 111.824 176.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.67 93.76 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 123.53 0.732 . . . . 0.0 109.704 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.28 72.43 Favored 'General case' 0 C--N 1.394 2.523 0 N-CA-C 115.948 1.833 . . . . 0.0 115.948 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 61' ' ' GLU . 15.8 m -68.89 -31.18 49.56 Favored 'Isoleucine or valine' 0 C--N 1.391 2.402 0 CA-C-O 121.752 0.787 . . . . 0.0 111.534 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -74.54 -10.43 59.54 Favored 'General case' 0 CA--C 1.577 1.997 0 C-N-CA 126.826 2.05 . . . . 0.0 111.618 172.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -96.54 -11.12 25.88 Favored 'General case' 0 CA--C 1.575 1.913 0 C-N-CA 125.199 1.4 . . . . 0.0 111.609 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.82 52.48 3.12 Favored Glycine 0 C--N 1.381 3.051 0 N-CA-C 116.497 1.359 . . . . 0.0 116.497 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.14 91.76 3.63 Favored 'General case' 0 C--N 1.372 1.58 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 177.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.61 -20.67 61.24 Favored 'General case' 0 N--CA 1.506 2.354 0 CA-C-N 113.875 -1.511 . . . . 0.0 112.414 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.7 m -70.82 -35.64 72.58 Favored 'General case' 0 CA--C 1.571 1.766 0 C-N-CA 125.437 1.495 . . . . 0.0 109.899 175.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -76.48 -20.45 56.96 Favored 'General case' 0 C--N 1.393 2.499 0 C-N-CA 123.646 0.778 . . . . 0.0 111.774 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.2 t -74.69 -50.98 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 C-N-CA 126.662 1.985 . . . . 0.0 109.266 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.85 -36.06 77.68 Favored 'General case' 0 C--N 1.376 1.76 0 C-N-CA 126.677 1.991 . . . . 0.0 112.797 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -41.58 92.01 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.427 1.491 . . . . 0.0 110.419 173.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -73.99 -33.87 63.99 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 123.812 0.845 . . . . 0.0 110.991 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.99 90.28 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 124.282 1.033 . . . . 0.0 111.994 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.43 -37.81 74.46 Favored 'General case' 0 N--CA 1.516 2.859 0 C-N-CA 125.707 1.603 . . . . 0.0 111.169 176.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -70.86 -32.72 69.81 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 125.785 1.634 . . . . 0.0 111.059 174.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.7 -45.76 77.77 Favored 'General case' 0 CA--C 1.569 1.704 0 C-N-CA 123.98 0.912 . . . . 0.0 111.495 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.482 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -69.23 -40.17 78.08 Favored 'General case' 0 C--N 1.386 2.17 0 C-N-CA 125.091 1.357 . . . . 0.0 113.153 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.55 81.32 Favored 'General case' 0 C--N 1.388 2.274 0 C-N-CA 125.876 1.67 . . . . 0.0 112.153 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -73.34 -27.17 61.36 Favored 'General case' 0 C--N 1.375 1.708 0 CA-C-O 118.306 -0.854 . . . . 0.0 112.284 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 80' ' ' ALA . 21.7 mt -62.76 -45.39 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 CA-C-N 118.658 0.663 . . . . 0.0 109.866 176.014 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.15 -45.1 82.2 Favored 'General case' 0 N--CA 1.505 2.323 0 C-N-CA 124.668 1.187 . . . . 0.0 112.353 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.02 -43.9 56.37 Favored 'General case' 0 C--N 1.38 1.928 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.5 -44.78 13.29 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 16.9 mt-30 -68.36 -36.48 79.26 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-N 119.339 0.972 . . . . 0.0 112.715 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -78.64 -40.72 33.45 Favored 'General case' 0 CA--C 1.592 2.589 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -75.78 -30.79 59.23 Favored 'General case' 0 C--N 1.399 2.747 0 CA-C-O 121.19 0.519 . . . . 0.0 109.762 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.74 -22.95 49.52 Favored 'General case' 0 C--N 1.383 2.048 0 C-N-CA 125.287 1.435 . . . . 0.0 110.806 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.11 85.13 Favored 'General case' 0 C--N 1.417 3.506 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -79.96 -27.43 39.75 Favored 'General case' 0 C--N 1.391 2.388 0 C-N-CA 124.347 1.059 . . . . 0.0 111.561 174.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.14 62.48 Favored 'General case' 0 C--N 1.377 1.792 0 C-N-CA 124.295 1.038 . . . . 0.0 112.696 173.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 76.0 p -60.04 -8.43 2.35 Favored 'General case' 1 N--CA 1.54 4.073 0 C-N-CA 125.824 1.65 . . . . 0.0 113.674 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.75 -58.13 2.58 Favored 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 126.487 1.915 . . . . 0.0 115.551 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -71.79 -6.3 40.46 Favored 'General case' 0 N--CA 1.517 2.877 0 CA-C-O 123.281 1.515 . . . . 0.0 109.333 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.832 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 2.1 ttt180 -62.74 -37.12 85.34 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 129.389 3.076 . . . . 0.0 116.869 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -88.43 -4.49 58.63 Favored 'General case' 0 C--N 1.376 1.758 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -171.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -115.61 -40.96 3.3 Favored 'General case' 0 N--CA 1.51 2.53 0 N-CA-C 117.737 2.495 . . . . 0.0 117.737 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -120.29 -22.82 6.41 Favored 'General case' 0 N--CA 1.507 2.409 0 CA-C-N 119.481 1.037 . . . . 0.0 113.619 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.832 ' HB3' ' HA ' ' A' ' 97' ' ' ARG . . . -86.68 -23.16 25.7 Favored 'General case' 0 N--CA 1.513 2.694 0 C-N-CA 124.926 1.29 . . . . 0.0 114.425 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -67.68 -55.19 14.18 Favored 'General case' 0 CA--C 1.575 1.941 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.0 mt -69.0 -36.62 7.84 Favored Pre-proline 0 N--CA 1.51 2.557 0 N-CA-C 120.998 3.703 . . . . 0.0 120.998 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.87 -23.12 57.57 Favored 'Trans proline' 1 C--N 1.444 5.554 0 CA-C-N 125.119 2.864 . . . . 0.0 118.184 -175.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -135.99 -25.28 0.49 Allowed Glycine 0 C--N 1.359 1.816 0 CA-C-O 118.184 -1.342 . . . . 0.0 114.26 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.42 -67.37 0.28 Allowed Glycine 0 C--N 1.382 3.121 0 CA-C-N 118.582 1.191 . . . . 0.0 110.583 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -136.26 60.38 1.67 Allowed 'General case' 0 CA--C 1.557 1.218 0 CA-C-N 113.119 -1.541 . . . . 0.0 107.893 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.23 -41.67 99.14 Favored 'General case' 0 N--CA 1.515 2.823 0 C-N-CA 123.735 0.814 . . . . 0.0 112.939 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -36.88 79.38 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.383 1.873 . . . . 0.0 112.116 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -70.24 -29.16 65.9 Favored 'General case' 0 C--N 1.379 1.877 0 O-C-N 124.356 1.035 . . . . 0.0 111.023 173.058 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 3.4 mpt_? -76.17 -45.26 34.24 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 123.648 0.779 . . . . 0.0 110.357 174.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -61.75 2.03 Favored 'General case' 0 CA--C 1.591 2.554 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.0 -45.8 32.74 Favored 'General case' 0 C--N 1.386 2.194 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 39.5 mt-10 -72.53 -33.89 67.19 Favored 'General case' 0 N--CA 1.509 2.488 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -178.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.564 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 5.3 m-85 -67.54 -38.45 84.21 Favored 'General case' 0 C--N 1.39 2.358 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.708 177.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -66.94 -39.47 87.33 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 177.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.58 -42.19 71.36 Favored 'General case' 0 N--CA 1.519 2.988 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -70.45 -36.71 74.1 Favored 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 124.33 1.052 . . . . 0.0 112.536 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 42.2 mt-10 -74.8 -23.32 58.48 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 124.247 1.019 . . . . 0.0 112.101 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -65.44 -49.97 67.13 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 125.513 1.525 . . . . 0.0 113.284 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -72.65 -39.0 67.52 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.01 -33.51 73.37 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 123.544 0.527 . . . . 0.0 110.437 174.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -70.3 -34.8 73.17 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 125.039 1.336 . . . . 0.0 112.117 175.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.26 88.6 Favored 'General case' 0 C--N 1.408 3.134 0 C-N-CA 125.627 1.571 . . . . 0.0 112.52 -178.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.4 mtt -64.18 -39.43 93.98 Favored 'General case' 0 C--N 1.388 2.262 0 O-C-N 124.787 1.304 . . . . 0.0 110.523 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -69.41 -38.15 77.79 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 125.165 1.386 . . . . 0.0 110.668 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -65.7 -37.42 86.41 Favored 'General case' 0 C--N 1.399 2.753 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.98 -39.58 83.27 Favored 'General case' 0 N--CA 1.509 2.494 0 C-N-CA 124.434 1.094 . . . . 0.0 111.169 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -74.46 -25.8 59.64 Favored 'General case' 0 C--N 1.385 2.114 0 C-N-CA 124.597 1.159 . . . . 0.0 112.404 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -68.55 -36.12 78.36 Favored 'General case' 0 N--CA 1.514 2.733 0 C-N-CA 125.488 1.515 . . . . 0.0 111.252 175.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -66.81 -38.35 86.32 Favored 'General case' 0 C--N 1.389 2.307 0 C-N-CA 125.131 1.372 . . . . 0.0 110.399 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.93 -34.95 74.14 Favored 'General case' 0 C--N 1.389 2.295 0 C-N-CA 124.973 1.309 . . . . 0.0 111.524 176.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -68.32 -36.93 80.04 Favored 'General case' 0 C--N 1.393 2.461 0 C-N-CA 124.993 1.317 . . . . 0.0 111.457 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.67 -37.96 89.37 Favored 'General case' 0 CA--C 1.571 1.757 0 C-N-CA 125.331 1.452 . . . . 0.0 113.469 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -90.74 -38.84 12.77 Favored 'General case' 0 C--N 1.387 2.2 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -108.47 -30.22 8.39 Favored 'General case' 0 C--N 1.396 2.603 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -174.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 56.11 26.03 9.69 Favored 'General case' 0 N--CA 1.532 3.653 0 C-N-CA 127.452 2.301 . . . . 0.0 116.686 -178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.44 138.93 59.21 Favored Pre-proline 0 N--CA 1.503 2.175 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -56.97 -14.89 15.45 Favored 'Trans proline' 1 C--N 1.437 5.198 0 C-N-CA 124.753 3.635 . . . . 0.0 116.62 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -69.13 -37.75 78.46 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 124.547 1.139 . . . . 0.0 113.265 -177.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.43 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -78.23 -29.2 48.12 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 126.526 1.931 . . . . 0.0 110.01 -179.56 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.73 -36.91 76.26 Favored 'General case' 0 C--N 1.378 1.813 0 C-N-CA 126.683 1.993 . . . . 0.0 110.135 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.73 -33.69 71.1 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 124.253 1.021 . . . . 0.0 110.73 173.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -71.69 -42.51 67.34 Favored 'General case' 0 N--CA 1.511 2.602 0 C-N-CA 125.185 1.394 . . . . 0.0 114.181 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.3 mt -67.22 -42.99 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.193 0 C-N-CA 125.322 1.449 . . . . 0.0 109.136 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.7 m -62.87 -41.87 99.54 Favored 'General case' 0 CA--C 1.588 2.442 0 C-N-CA 126.025 1.73 . . . . 0.0 111.586 177.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.15 96.51 Favored 'General case' 0 N--CA 1.514 2.747 0 C-N-CA 124.526 1.13 . . . . 0.0 112.496 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.09 -28.26 62.19 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 125.062 1.345 . . . . 0.0 111.834 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -36.56 84.42 Favored 'General case' 0 C--N 1.392 2.442 0 C-N-CA 126.346 1.858 . . . . 0.0 112.238 177.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -75.14 -35.19 61.68 Favored 'General case' 0 C--N 1.388 2.262 0 C-N-CA 125.321 1.448 . . . . 0.0 110.104 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -70.2 -35.76 74.15 Favored 'General case' 0 C--N 1.387 2.215 0 C-N-CA 125.12 1.368 . . . . 0.0 112.834 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -37.9 89.18 Favored 'General case' 0 C--N 1.379 1.885 0 C-N-CA 124.626 1.17 . . . . 0.0 110.271 174.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.1 p -77.11 -37.92 53.23 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 123.818 0.699 . . . . 0.0 112.416 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -69.95 -36.2 75.09 Favored 'General case' 0 N--CA 1.514 2.737 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 178.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 83.0 m -71.09 -39.42 72.14 Favored 'General case' 0 C--N 1.382 1.998 0 C-N-CA 123.756 0.822 . . . . 0.0 111.037 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -59.71 -38.83 82.72 Favored 'General case' 0 C--N 1.392 2.438 0 C-N-CA 125.624 1.57 . . . . 0.0 112.938 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.2 m -69.32 -42.72 75.01 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 125.264 1.426 . . . . 0.0 111.192 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.16 -38.75 86.0 Favored 'General case' 0 C--N 1.381 1.947 0 C-N-CA 126.179 1.792 . . . . 0.0 113.016 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 29.7 mt -69.52 -40.93 80.27 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.065 0 C-N-CA 126.16 1.784 . . . . 0.0 110.601 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.22 95.97 Favored 'General case' 0 C--N 1.39 2.357 0 C-N-CA 124.559 1.144 . . . . 0.0 113.671 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.56 -39.58 80.98 Favored 'General case' 0 N--CA 1.512 2.665 0 C-N-CA 124.954 1.302 . . . . 0.0 112.944 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.8 p -71.45 -32.39 68.26 Favored 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 124.526 1.13 . . . . 0.0 112.696 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -71.57 -35.08 70.46 Favored 'General case' 0 C--N 1.381 1.936 0 C-N-CA 124.838 1.255 . . . . 0.0 112.425 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.13 -37.86 81.55 Favored 'General case' 0 N--CA 1.51 2.55 0 C-N-CA 124.932 1.293 . . . . 0.0 113.257 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.522 ' O ' HG13 ' A' ' 169' ' ' ILE . . . -69.61 -36.06 75.85 Favored 'General case' 0 C--N 1.375 1.677 0 C-N-CA 124.198 0.999 . . . . 0.0 110.279 177.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.6 mt -71.53 -28.74 64.09 Favored 'General case' 0 C--N 1.394 2.506 0 C-N-CA 125.512 1.525 . . . . 0.0 112.197 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -70.43 -30.46 67.32 Favored 'General case' 0 C--N 1.38 1.909 0 C-N-CA 125.547 1.539 . . . . 0.0 112.519 176.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -21.13 25.63 Favored 'General case' 0 C--N 1.385 2.112 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -177.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 165' ' ' ALA . 0.3 OUTLIER -111.06 17.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.38 1.894 0 CA-C-O 121.368 0.604 . . . . 0.0 109.47 -176.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 61.7 m -54.03 -41.01 67.56 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-N 113.285 -1.779 . . . . 0.0 108.264 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 . . . . . 0 N--CA 1.496 1.87 0 CA-C-N 113.541 -1.663 . . . . 0.0 111.439 177.798 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.134 0.493 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -115.51 128.25 55.86 Favored 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 124.14 0.976 . . . . 0.0 111.156 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.06 119.14 31.12 Favored Pre-proline 0 CA--C 1.574 1.866 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.146 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -62.08 119.2 6.2 Favored 'Trans proline' 1 C--N 1.432 4.952 0 C-N-CA 123.431 2.754 . . . . 0.0 114.932 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mt -99.66 -47.51 5.06 Favored 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 123.5 0.72 . . . . 0.0 111.873 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.25 -36.45 54.49 Favored 'General case' 0 C--N 1.376 1.745 0 C-N-CA 125.083 1.353 . . . . 0.0 112.687 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -33.29 72.17 Favored 'General case' 0 C--N 1.38 1.913 0 O-C-N 124.317 1.01 . . . . 0.0 110.467 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -68.01 -36.21 79.59 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 124.638 1.211 . . . . 0.0 111.387 177.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.3 m -71.59 -40.99 69.52 Favored 'General case' 0 C--N 1.381 1.94 0 C-N-CA 123.97 0.908 . . . . 0.0 110.871 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.58 -44.29 89.75 Favored 'General case' 0 C--N 1.389 2.311 0 O-C-N 124.311 1.007 . . . . 0.0 112.395 173.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -65.38 -39.92 92.87 Favored 'General case' 0 C--N 1.399 2.744 0 C-N-CA 125.223 1.409 . . . . 0.0 114.67 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -69.68 -36.22 75.8 Favored 'General case' 0 C--N 1.379 1.863 0 CA-C-O 117.861 -1.066 . . . . 0.0 109.989 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -62.6 -29.97 71.0 Favored 'General case' 0 N--CA 1.506 2.363 0 C-N-CA 124.121 0.968 . . . . 0.0 111.857 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -74.77 -45.79 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.558 0 C-N-CA 125.165 1.386 . . . . 0.0 110.379 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.29 -27.0 64.06 Favored 'General case' 0 N--CA 1.503 2.208 0 C-N-CA 123.711 0.804 . . . . 0.0 111.249 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.04 88.92 Favored 'General case' 0 N--CA 1.507 2.389 0 C-N-CA 125.378 1.471 . . . . 0.0 109.52 171.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' HB3' HD12 ' A' ' 21' ' ' ILE . 46.3 mt -73.87 -30.02 62.42 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 125.052 1.341 . . . . 0.0 110.974 175.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -60.47 -39.52 87.88 Favored 'General case' 0 N--CA 1.536 3.831 0 C-N-CA 126.339 1.856 . . . . 0.0 113.414 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.6 p -78.78 -31.77 46.22 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 124.847 1.342 . . . . 0.0 113.112 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -83.2 -24.06 32.58 Favored 'General case' 0 CA--C 1.581 2.159 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 17' ' ' LEU . 70.2 mt -110.77 19.27 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 C-N-CA 128.388 2.675 . . . . 0.0 109.161 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.01 -81.14 0.29 Allowed Glycine 0 N--CA 1.491 2.318 0 CA-C-O 116.558 -2.246 . . . . 0.0 112.53 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -65.66 -2.0 5.72 Favored 'Trans proline' 1 C--N 1.426 4.633 0 CA-C-N 122.586 3.193 . . . . 0.0 116.131 177.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mp -90.68 -6.28 54.7 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 126.002 1.721 . . . . 0.0 112.988 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.57 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -66.07 -41.24 90.99 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 126.373 1.869 . . . . 0.0 115.742 177.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -97.55 -37.84 9.8 Favored 'General case' 0 C--N 1.385 2.135 0 C-N-CA 124.036 0.934 . . . . 0.0 110.973 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -104.72 136.31 44.48 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 125.894 1.678 . . . . 0.0 112.755 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -94.13 117.2 29.76 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 121.687 0.756 . . . . 0.0 112.723 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -128.6 162.14 27.99 Favored 'General case' 0 N--CA 1.503 2.199 0 C-N-CA 125.452 1.501 . . . . 0.0 110.735 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.17 91.07 1.62 Allowed 'General case' 0 CA--C 1.588 2.423 0 C-N-CA 124.701 1.2 . . . . 0.0 113.53 -178.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.52 117.4 42.78 Favored Pre-proline 0 C--N 1.379 1.873 0 CA-C-O 118.829 -0.605 . . . . 0.0 110.863 176.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -62.2 -26.04 77.38 Favored 'Trans proline' 1 C--N 1.431 4.917 0 C-N-CA 123.867 3.045 . . . . 0.0 115.92 178.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -108.38 25.88 11.13 Favored 'General case' 0 CA--C 1.583 2.238 0 C-N-CA 124.48 1.112 . . . . 0.0 112.79 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.55 106.32 3.42 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 123.403 0.681 . . . . 0.0 109.336 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.35 94.22 4.01 Favored 'General case' 0 C--N 1.373 1.6 0 CA-C-O 121.811 0.815 . . . . 0.0 110.158 178.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -83.28 -2.77 56.45 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 113.922 -1.49 . . . . 0.0 114.373 -178.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -79.89 -18.23 51.18 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 123.731 0.812 . . . . 0.0 112.356 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -84.78 -3.92 58.83 Favored 'General case' 0 C--N 1.388 2.248 0 C-N-CA 123.998 0.919 . . . . 0.0 112.992 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.16 158.7 27.41 Favored 'General case' 0 C--N 1.377 1.782 0 C-N-CA 124.455 1.102 . . . . 0.0 111.521 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.87 108.94 14.53 Favored 'General case' 0 C--N 1.383 2.031 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.6 t -155.91 165.03 37.71 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.051 -1.886 . . . . 0.0 108.795 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -109.64 -27.9 9.13 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.738 0.815 . . . . 0.0 112.071 -178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.74 75.98 0.58 Allowed Glycine 0 C--N 1.377 2.815 0 N-CA-C 106.865 -2.494 . . . . 0.0 106.865 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.83 -62.64 1.17 Allowed 'General case' 0 C--N 1.379 1.876 0 O-C-N 124.502 0.766 . . . . 0.0 111.506 -171.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 176.94 178.68 0.24 Allowed 'General case' 0 C--N 1.41 3.219 0 O-C-N 126.002 2.064 . . . . 0.0 112.954 -173.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.57 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 1.3 mt -67.98 -23.48 65.03 Favored 'General case' 0 N--CA 1.529 3.508 0 C-N-CA 125.5 1.52 . . . . 0.0 108.265 169.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.35 -36.25 88.27 Favored Glycine 0 C--N 1.381 3.031 0 C-N-CA 125.427 1.489 . . . . 0.0 113.887 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.99 -21.38 43.7 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 117.107 0.454 . . . . 0.0 111.574 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -81.14 -32.86 33.53 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.3 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -77.52 -36.37 52.52 Favored 'General case' 0 C--N 1.372 1.566 0 C-N-CA 124.938 1.295 . . . . 0.0 112.469 176.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.99 -37.63 75.79 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.956 1.302 . . . . 0.0 112.003 178.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.61 -29.97 56.74 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 123.692 0.797 . . . . 0.0 111.039 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.57 -39.59 67.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 124.893 1.371 . . . . 0.0 111.851 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.6 -36.35 76.12 Favored 'General case' 0 N--CA 1.505 2.319 0 C-N-CA 124.769 1.228 . . . . 0.0 111.414 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -72.61 -25.52 61.34 Favored 'General case' 0 C--N 1.385 2.129 0 C-N-CA 126.593 1.957 . . . . 0.0 112.354 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.7 m -78.78 -30.01 45.34 Favored 'General case' 0 C--N 1.386 2.167 0 C-N-CA 123.598 0.759 . . . . 0.0 109.441 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.7 tp -70.84 -41.86 70.92 Favored 'General case' 0 C--N 1.388 2.255 0 C-N-CA 125.835 1.654 . . . . 0.0 110.252 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.4 p -71.73 -30.48 65.67 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 125.166 1.386 . . . . 0.0 112.9 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -78.22 -39.72 39.59 Favored 'General case' 0 N--CA 1.518 2.927 0 C-N-CA 124.18 0.992 . . . . 0.0 113.524 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -66.49 -33.12 74.98 Favored 'General case' 0 C--N 1.39 2.349 0 C-N-CA 124.356 1.062 . . . . 0.0 110.208 176.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.435 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 8.7 mt-10 -63.62 -33.62 76.03 Favored 'General case' 0 C--N 1.387 2.237 0 C-N-CA 126.555 1.942 . . . . 0.0 112.145 175.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.69 95.0 Favored 'General case' 0 C--N 1.394 2.524 0 C-N-CA 124.146 0.979 . . . . 0.0 112.86 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.45 -29.94 67.74 Favored 'General case' 0 N--CA 1.51 2.541 0 C-N-CA 123.542 0.737 . . . . 0.0 112.234 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.435 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 55.4 t -62.82 -37.8 80.1 Favored 'Isoleucine or valine' 0 C--N 1.381 1.959 0 C-N-CA 126.499 1.92 . . . . 0.0 109.775 175.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -55.02 -33.12 62.37 Favored 'General case' 0 C--N 1.396 2.607 0 C-N-CA 125.083 1.353 . . . . 0.0 112.312 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -69.68 -38.27 76.97 Favored 'General case' 0 C--N 1.402 2.876 0 C-N-CA 125.477 1.511 . . . . 0.0 112.076 176.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.89 33.44 2.4 Favored Glycine 0 C--N 1.376 2.759 0 N-CA-C 116.562 1.385 . . . . 0.0 116.562 174.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.68 113.0 24.42 Favored 'General case' 0 C--N 1.38 1.895 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.72 -27.73 64.2 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 113.137 -1.847 . . . . 0.0 113.043 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.5 m -72.17 -38.05 69.2 Favored 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 124.731 1.212 . . . . 0.0 110.85 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.5 -23.44 56.75 Favored 'General case' 0 C--N 1.389 2.323 0 C-N-CA 124.168 0.987 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.9 t -76.29 -47.06 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 125.956 1.702 . . . . 0.0 109.884 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.53 -37.75 85.67 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 127.239 2.216 . . . . 0.0 112.767 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.87 -48.91 74.8 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 126.414 1.886 . . . . 0.0 109.047 173.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.05 -43.66 98.56 Favored 'General case' 0 N--CA 1.511 2.576 0 O-C-N 125.036 1.46 . . . . 0.0 112.019 174.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.63 -42.08 91.93 Favored 'General case' 0 N--CA 1.511 2.609 0 C-N-CA 124.884 1.274 . . . . 0.0 113.775 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.6 -39.12 73.98 Favored 'General case' 0 N--CA 1.514 2.734 0 C-N-CA 125.266 1.427 . . . . 0.0 111.967 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.03 -33.8 68.3 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 124.706 1.203 . . . . 0.0 110.698 174.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.472 ' O ' HG23 ' A' ' 83' ' ' ILE . 0.5 OUTLIER -66.11 -46.36 77.89 Favored 'General case' 0 C--N 1.38 1.926 0 CA-C-O 117.713 -1.137 . . . . 0.0 111.855 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.46 -36.49 76.63 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 124.503 1.121 . . . . 0.0 112.757 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.66 81.2 Favored 'General case' 0 C--N 1.385 2.138 0 C-N-CA 125.678 1.591 . . . . 0.0 110.638 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -73.97 -27.77 61.15 Favored 'General case' 0 C--N 1.376 1.748 0 C-N-CA 123.931 0.893 . . . . 0.0 112.594 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.565 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -64.66 -43.59 96.64 Favored 'Isoleucine or valine' 0 C--N 1.389 2.287 0 CA-C-N 118.334 0.516 . . . . 0.0 110.649 177.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.84 -44.78 76.38 Favored 'General case' 0 N--CA 1.503 2.202 0 C-N-CA 125.532 1.533 . . . . 0.0 112.101 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.79 -44.73 55.08 Favored 'General case' 0 C--N 1.379 1.852 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.3 mp -86.79 -42.61 13.16 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.565 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -68.27 -38.47 81.76 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 118.781 -0.628 . . . . 0.0 112.006 178.736 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -78.76 -40.25 33.8 Favored 'General case' 0 C--N 1.386 2.154 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -72.48 -33.04 66.71 Favored 'General case' 0 N--CA 1.515 2.822 0 CA-C-N 119.4 1.0 . . . . 0.0 110.319 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.59 -31.16 63.43 Favored 'General case' 0 C--N 1.385 2.144 0 C-N-CA 124.054 0.941 . . . . 0.0 109.973 175.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.05 -34.75 77.05 Favored 'General case' 0 C--N 1.411 3.274 0 C-N-CA 124.735 1.214 . . . . 0.0 114.112 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.6 p -84.15 -21.28 31.41 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 119.071 0.851 . . . . 0.0 110.287 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.17 -28.81 60.22 Favored 'General case' 0 C--N 1.39 2.363 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.989 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.07 -8.64 58.49 Favored 'General case' 0 C--N 1.398 2.689 0 C-N-CA 125.575 1.55 . . . . 0.0 112.012 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.3 mt -90.01 -9.0 50.25 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -97.89 -15.31 20.24 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 172.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -116.63 41.99 2.55 Favored 'General case' 0 C--N 1.39 2.348 0 C-N-CA 127.883 2.473 . . . . 0.0 112.694 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.74 13.39 10.76 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 104.517 -2.401 . . . . 0.0 104.517 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.418 ' HB3' ' H ' ' A' ' 100' ' ' ASN . 4.5 mt-10 -108.96 -145.19 0.39 Allowed 'General case' 0 CA--C 1.574 1.893 0 CA-C-N 110.361 -3.108 . . . . 0.0 112.083 178.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.418 ' H ' ' HB3' ' A' ' 99' ' ' GLU . 45.1 m-80 -96.41 7.2 47.08 Favored 'General case' 0 N--CA 1.51 2.573 0 CA-C-O 122.849 1.309 . . . . 0.0 109.989 178.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.17 -15.28 58.98 Favored 'General case' 0 CA--C 1.575 1.935 0 C-N-CA 128.604 2.762 . . . . 0.0 110.331 173.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -63.49 -31.09 72.14 Favored 'General case' 0 CA--C 1.592 2.573 0 C-N-CA 127.484 2.314 . . . . 0.0 114.955 -173.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.86 -52.22 42.93 Favored Pre-proline 0 N--CA 1.514 2.739 0 CA-C-O 116.416 -1.754 . . . . 0.0 112.947 178.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -83.33 3.93 7.41 Favored 'Trans proline' 1 C--N 1.45 5.919 0 CA-C-N 123.705 2.359 . . . . 0.0 115.284 173.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -156.64 92.79 0.13 Allowed Glycine 0 C--N 1.357 1.74 0 N-CA-C 108.889 -1.685 . . . . 0.0 108.889 174.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -171.22 -41.28 0.03 OUTLIER Glycine 0 N--CA 1.473 1.147 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -29.35 62.35 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 124.892 1.277 . . . . 0.0 110.188 175.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.88 -36.01 72.58 Favored 'General case' 0 C--N 1.384 2.078 0 C-N-CA 125.657 1.583 . . . . 0.0 111.806 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -70.15 -33.25 71.55 Favored 'General case' 0 C--N 1.387 2.212 0 C-N-CA 124.605 1.162 . . . . 0.0 111.231 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.64 -36.91 83.69 Favored 'General case' 0 C--N 1.386 2.163 0 C-N-CA 125.862 1.665 . . . . 0.0 110.66 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.593 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 1.1 mpt_? -74.58 -50.22 18.78 Favored 'General case' 0 C--N 1.375 1.698 0 C-N-CA 123.929 0.892 . . . . 0.0 111.013 175.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.15 -60.22 3.92 Favored 'General case' 0 CA--C 1.601 2.908 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -83.52 -44.19 14.94 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 40.5 mt-10 -71.91 -33.84 68.63 Favored 'General case' 0 N--CA 1.508 2.468 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 -178.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.593 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 5.6 m-85 -68.8 -38.85 80.22 Favored 'General case' 0 C--N 1.392 2.441 0 CA-C-O 118.714 -0.66 . . . . 0.0 111.717 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -65.71 -38.97 90.68 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.87 -42.73 85.11 Favored 'General case' 0 N--CA 1.52 3.069 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -69.23 -37.32 77.95 Favored 'General case' 0 N--CA 1.508 2.441 0 C-N-CA 124.294 1.038 . . . . 0.0 112.649 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -71.33 -28.44 64.09 Favored 'General case' 0 C--N 1.379 1.861 0 C-N-CA 124.824 1.25 . . . . 0.0 112.206 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -65.47 -47.75 75.02 Favored 'General case' 0 N--CA 1.504 2.253 0 C-N-CA 125.777 1.631 . . . . 0.0 114.285 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.72 -39.23 67.09 Favored 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.42 -33.06 73.07 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 123.556 0.535 . . . . 0.0 110.404 174.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -34.11 73.18 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 125.016 1.326 . . . . 0.0 112.341 175.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.95 86.1 Favored 'General case' 0 C--N 1.404 2.975 0 C-N-CA 125.473 1.509 . . . . 0.0 112.816 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.6 mtt -64.65 -40.21 95.03 Favored 'General case' 0 C--N 1.391 2.377 0 O-C-N 124.685 1.24 . . . . 0.0 110.642 177.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 94.8 mttt -67.26 -40.68 86.23 Favored 'General case' 0 C--N 1.384 2.103 0 C-N-CA 124.814 1.245 . . . . 0.0 110.797 176.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -64.23 -44.09 92.94 Favored 'General case' 0 N--CA 1.517 2.905 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 -176.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -70.82 -41.09 72.0 Favored 'General case' 0 N--CA 1.51 2.537 0 C-N-CA 123.887 0.875 . . . . 0.0 113.072 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.62 -34.4 74.02 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 124.46 1.104 . . . . 0.0 112.979 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 47.3 mt-10 -70.27 -39.6 74.83 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -71.18 -40.69 71.07 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-N 119.124 0.875 . . . . 0.0 112.758 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.25 -41.7 63.39 Favored 'General case' 0 C--N 1.391 2.39 0 CA-C-N 113.465 -1.698 . . . . 0.0 114.932 -173.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -90.54 -8.21 50.88 Favored 'General case' 0 CA--C 1.578 2.033 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -65.35 -38.84 91.29 Favored 'General case' 0 N--CA 1.516 2.862 0 C-N-CA 125.588 1.555 . . . . 0.0 111.944 174.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -81.83 -13.18 58.0 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 125.44 1.496 . . . . 0.0 112.678 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -94.97 -24.88 16.75 Favored 'General case' 0 C--N 1.383 2.064 0 C-N-CA 125.152 1.381 . . . . 0.0 109.328 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 65.13 30.93 11.29 Favored 'General case' 0 N--CA 1.521 3.125 0 C-N-CA 127.565 2.346 . . . . 0.0 112.317 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.79 125.78 83.56 Favored Pre-proline 0 CA--C 1.571 1.753 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -177.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -58.27 -9.71 7.08 Favored 'Trans proline' 1 C--N 1.429 4.792 0 C-N-CA 124.686 3.591 . . . . 0.0 114.228 173.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -61.51 -27.69 68.78 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 123.68 0.792 . . . . 0.0 110.959 175.51 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 21.6 mt -56.33 -44.56 80.12 Favored 'General case' 0 N--CA 1.516 2.856 0 C-N-CA 126.438 1.895 . . . . 0.0 113.104 174.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.05 72.3 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.671 1.588 . . . . 0.0 110.808 -174.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -72.03 -37.54 69.71 Favored 'General case' 0 CA--C 1.583 2.24 0 O-C-N 124.161 0.913 . . . . 0.0 111.864 174.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 39.7 mt-10 -77.36 -51.15 11.31 Favored 'General case' 0 N--CA 1.512 2.663 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 -177.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -38.16 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.795 0 CA-C-N 119.561 1.073 . . . . 0.0 111.288 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 97.1 m -63.08 -40.46 97.74 Favored 'General case' 0 CA--C 1.584 2.283 0 CA-C-N 118.516 0.598 . . . . 0.0 110.598 177.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.81 85.58 Favored 'General case' 0 N--CA 1.509 2.475 0 C-N-CA 124.266 1.026 . . . . 0.0 112.856 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 13.1 mt -73.46 -31.32 63.72 Favored 'General case' 0 C--N 1.38 1.921 0 C-N-CA 124.708 1.203 . . . . 0.0 111.934 177.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -29.85 68.13 Favored 'General case' 0 C--N 1.392 2.428 0 C-N-CA 125.594 1.558 . . . . 0.0 112.232 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -75.47 -35.48 60.86 Favored 'General case' 0 C--N 1.387 2.225 0 C-N-CA 124.975 1.31 . . . . 0.0 109.16 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -71.37 -35.58 71.14 Favored 'General case' 0 C--N 1.387 2.199 0 C-N-CA 125.676 1.59 . . . . 0.0 112.465 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.45 -38.91 92.66 Favored 'General case' 0 C--N 1.381 1.937 0 C-N-CA 124.476 1.111 . . . . 0.0 110.106 174.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.7 p -77.01 -38.7 52.47 Favored 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 123.662 0.785 . . . . 0.0 112.845 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -72.66 -33.36 66.52 Favored 'General case' 0 N--CA 1.517 2.898 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 76.2 m -71.65 -39.1 70.57 Favored 'General case' 0 C--N 1.385 2.142 0 C-N-CA 123.503 0.721 . . . . 0.0 110.502 177.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -59.17 -39.39 82.37 Favored 'General case' 0 C--N 1.394 2.528 0 C-N-CA 125.618 1.567 . . . . 0.0 113.268 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 6.8 m -70.36 -40.85 73.78 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 124.96 1.304 . . . . 0.0 111.52 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.67 -37.64 76.74 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 125.778 1.631 . . . . 0.0 112.805 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 16.2 mt -70.04 -39.95 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.839 0 C-N-CA 126.094 1.758 . . . . 0.0 110.971 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.95 97.75 Favored 'General case' 0 C--N 1.391 2.394 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.09 -41.65 67.07 Favored 'General case' 0 N--CA 1.51 2.541 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.8 p -71.66 -39.48 70.3 Favored 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.03 -35.39 69.37 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.989 0.915 . . . . 0.0 113.195 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -70.05 -35.41 74.25 Favored 'General case' 0 N--CA 1.507 2.396 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -71.26 -36.02 71.61 Favored 'General case' 0 C--N 1.375 1.695 0 O-C-N 124.289 0.993 . . . . 0.0 110.891 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.76 -35.41 67.45 Favored 'General case' 0 C--N 1.39 2.36 0 C-N-CA 125.816 1.646 . . . . 0.0 112.229 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.31 -19.13 60.58 Favored 'General case' 0 C--N 1.379 1.878 0 C-N-CA 124.88 1.272 . . . . 0.0 113.424 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.81 -13.22 51.76 Favored 'General case' 0 C--N 1.379 1.873 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.86 16.8 7.7 Favored 'Isoleucine or valine' 0 C--N 1.368 1.403 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 1.3 t -50.52 -31.53 15.78 Favored 'General case' 0 C--N 1.389 2.295 0 C-N-CA 127.075 2.15 . . . . 0.0 112.682 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 . . . . . 0 N--CA 1.498 1.951 0 CA-C-N 113.188 -1.824 . . . . 0.0 111.795 179.202 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mtt . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.015 0.436 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -115.4 -54.24 2.55 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.475 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.84 127.69 17.43 Favored Pre-proline 0 C--N 1.378 1.839 0 C-N-CA 123.326 0.651 . . . . 0.0 111.751 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -70.92 -15.97 32.69 Favored 'Trans proline' 1 C--N 1.424 4.536 0 C-N-CA 123.214 2.609 . . . . 0.0 117.443 178.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mt -86.64 -35.33 19.43 Favored 'General case' 0 N--CA 1.506 2.326 0 C-N-CA 123.408 0.683 . . . . 0.0 111.868 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -36.14 51.95 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 125.147 1.379 . . . . 0.0 112.729 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.35 -31.35 67.25 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 123.923 0.889 . . . . 0.0 109.966 178.048 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -66.22 -37.57 85.86 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 124.434 1.084 . . . . 0.0 111.722 176.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.3 m -70.92 -41.1 71.66 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 124.212 1.005 . . . . 0.0 110.917 176.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.58 -44.94 85.72 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 124.455 1.102 . . . . 0.0 112.242 173.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -65.37 -38.51 90.26 Favored 'General case' 0 C--N 1.397 2.669 0 C-N-CA 125.363 1.465 . . . . 0.0 114.667 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -68.74 -37.06 79.15 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.247 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.73 -31.72 71.91 Favored 'General case' 0 N--CA 1.504 2.257 0 C-N-CA 124.7 1.2 . . . . 0.0 111.804 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -74.43 -43.82 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.449 0 C-N-CA 125.116 1.366 . . . . 0.0 110.122 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -28.89 66.76 Favored 'General case' 0 N--CA 1.507 2.381 0 C-N-CA 124.023 0.929 . . . . 0.0 111.052 174.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.74 88.3 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 125.478 1.511 . . . . 0.0 109.423 172.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.64 -36.86 73.64 Favored 'General case' 0 C--N 1.375 1.68 0 C-N-CA 124.802 1.241 . . . . 0.0 110.935 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -59.61 -38.17 80.55 Favored 'General case' 0 N--CA 1.528 3.437 0 C-N-CA 125.995 1.718 . . . . 0.0 112.735 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.82 -15.03 49.84 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 177.28 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.18 -29.69 11.97 Favored 'General case' 0 C--N 1.376 1.736 0 C-N-CA 124.116 0.966 . . . . 0.0 111.04 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.99 15.53 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 C-N-CA 127.29 2.236 . . . . 0.0 112.074 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.54 -72.77 0.71 Allowed Glycine 0 N--CA 1.484 1.881 0 CA-C-O 116.702 -2.165 . . . . 0.0 113.166 -175.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.53 -2.38 7.27 Favored 'Trans proline' 1 C--N 1.423 4.456 0 CA-C-N 122.068 2.934 . . . . 0.0 116.136 177.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mt -89.31 -13.82 37.11 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.243 1.417 . . . . 0.0 112.728 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.567 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -62.66 -40.81 98.22 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 126.522 1.929 . . . . 0.0 115.881 178.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -94.63 -31.12 13.99 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 124.213 1.005 . . . . 0.0 110.743 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -118.36 105.28 11.56 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.358 1.463 . . . . 0.0 111.306 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -92.43 117.07 29.55 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 123.17 0.588 . . . . 0.0 112.388 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -125.04 -82.99 0.64 Allowed 'General case' 0 C--N 1.371 1.515 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.055 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -144.84 110.12 5.2 Favored 'General case' 0 C--N 1.381 1.962 0 C-N-CA 123.861 0.865 . . . . 0.0 110.573 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.9 m -115.03 107.52 49.86 Favored Pre-proline 0 C--N 1.388 2.246 0 CA-C-O 118.802 -0.618 . . . . 0.0 110.145 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -63.6 -35.8 56.9 Favored 'Trans proline' 1 C--N 1.43 4.864 0 C-N-CA 124.067 3.178 . . . . 0.0 117.451 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -107.84 27.8 8.85 Favored 'General case' 0 CA--C 1.579 2.07 0 C-N-CA 125.712 1.605 . . . . 0.0 114.054 -175.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -50.61 111.32 0.52 Allowed 'General case' 0 N--CA 1.506 2.336 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.58 57.92 0.61 Allowed 'General case' 0 C--N 1.364 1.236 0 CA-C-N 112.361 -2.2 . . . . 0.0 111.835 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -84.28 -12.68 54.25 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 112.665 -2.062 . . . . 0.0 112.557 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -79.99 -24.02 41.16 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 124.43 1.092 . . . . 0.0 111.385 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.81 -5.78 30.49 Favored 'General case' 0 C--N 1.386 2.191 0 O-C-N 123.557 0.536 . . . . 0.0 112.059 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.51 154.46 32.5 Favored 'General case' 0 C--N 1.382 2.018 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.85 110.46 15.47 Favored 'General case' 0 C--N 1.378 1.846 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.1 t -159.91 145.25 15.32 Favored 'General case' 0 C--O 1.25 1.106 0 CA-C-N 113.407 -1.724 . . . . 0.0 107.697 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -94.66 -21.6 18.69 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.769 -1.105 . . . . 0.0 113.759 -177.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.72 78.52 1.19 Allowed Glycine 0 N--CA 1.501 2.999 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.67 -54.27 1.33 Allowed 'General case' 0 C--N 1.378 1.807 0 O-C-N 123.845 0.379 . . . . 0.0 110.609 -173.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -179.11 175.47 0.96 Allowed 'General case' 0 C--N 1.409 3.162 0 O-C-N 126.145 2.153 . . . . 0.0 112.492 -173.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.567 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -68.13 -22.53 64.87 Favored 'General case' 0 N--CA 1.529 3.479 0 C-N-CA 125.338 1.455 . . . . 0.0 108.248 169.311 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.66 -35.35 85.72 Favored Glycine 0 C--N 1.378 2.898 0 C-N-CA 126.344 1.926 . . . . 0.0 114.14 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.63 -22.03 44.13 Favored 'General case' 0 C--N 1.391 2.403 0 CA-C-N 117.409 0.604 . . . . 0.0 111.557 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -81.59 -32.44 32.09 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 114.634 -1.166 . . . . 0.0 109.642 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.54 -36.48 52.26 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 124.905 1.282 . . . . 0.0 112.38 177.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.12 -35.92 71.94 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 125.096 1.358 . . . . 0.0 112.45 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -79.58 -28.6 41.12 Favored 'General case' 0 C--N 1.378 1.818 0 C-N-CA 123.517 0.727 . . . . 0.0 110.61 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.55 -39.54 67.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 125.008 1.442 . . . . 0.0 111.049 176.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -68.83 -37.34 79.11 Favored 'General case' 0 C--N 1.38 1.933 0 C-N-CA 124.785 1.234 . . . . 0.0 110.244 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.13 -25.71 61.83 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 125.895 1.678 . . . . 0.0 112.348 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.4 m -78.66 -30.09 46.07 Favored 'General case' 0 C--N 1.385 2.146 0 C-N-CA 123.894 0.878 . . . . 0.0 109.882 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.73 -42.17 64.4 Favored 'General case' 0 C--N 1.386 2.181 0 C-N-CA 124.439 1.096 . . . . 0.0 110.685 176.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.8 p -70.33 -29.15 65.79 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 126.038 1.735 . . . . 0.0 113.431 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -76.98 -39.9 48.77 Favored 'General case' 0 N--CA 1.512 2.639 0 C-N-CA 123.596 0.758 . . . . 0.0 112.333 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.24 -33.91 76.34 Favored 'General case' 0 C--N 1.392 2.42 0 C-N-CA 124.798 1.239 . . . . 0.0 111.078 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.484 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 29.8 mt-10 -63.82 -35.12 79.58 Favored 'General case' 0 C--N 1.388 2.278 0 C-N-CA 126.128 1.771 . . . . 0.0 112.12 175.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.98 89.37 Favored 'General case' 0 C--N 1.39 2.358 0 C-N-CA 123.699 0.8 . . . . 0.0 112.73 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.64 -30.26 67.92 Favored 'General case' 0 C--N 1.392 2.451 0 C-N-CA 123.507 0.723 . . . . 0.0 112.129 173.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.484 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 64.8 t -61.79 -38.81 81.37 Favored 'Isoleucine or valine' 0 C--N 1.387 2.221 0 C-N-CA 126.393 1.877 . . . . 0.0 109.786 175.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -53.69 -34.89 60.25 Favored 'General case' 0 C--N 1.395 2.564 0 C-N-CA 124.856 1.262 . . . . 0.0 112.205 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -70.58 -38.87 74.12 Favored 'General case' 0 C--N 1.404 2.958 0 C-N-CA 125.465 1.506 . . . . 0.0 112.739 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.48 33.95 2.58 Favored Glycine 0 C--N 1.378 2.866 0 N-CA-C 116.202 1.241 . . . . 0.0 116.202 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.89 114.72 23.76 Favored 'General case' 0 C--N 1.382 2.013 0 CA-C-O 122.023 0.916 . . . . 0.0 109.35 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.22 -34.13 74.37 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 112.751 -2.022 . . . . 0.0 113.231 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.1 m -71.15 -37.54 72.24 Favored 'General case' 0 CA--C 1.574 1.87 0 C-N-CA 124.765 1.226 . . . . 0.0 111.482 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.52 -21.85 57.62 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 123.839 0.856 . . . . 0.0 112.075 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.8 t -78.32 -47.81 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 125.809 1.644 . . . . 0.0 110.003 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.13 -37.76 84.39 Favored 'General case' 0 C--N 1.389 2.32 0 C-N-CA 127.544 2.338 . . . . 0.0 112.518 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.19 -46.05 90.65 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 125.506 1.523 . . . . 0.0 108.931 172.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.78 -38.83 90.09 Favored 'General case' 0 N--CA 1.504 2.252 0 C-N-CA 124.973 1.309 . . . . 0.0 111.517 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.19 96.55 Favored 'General case' 0 N--CA 1.515 2.81 0 C-N-CA 125.199 1.4 . . . . 0.0 112.697 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.75 -35.93 70.27 Favored 'General case' 0 N--CA 1.517 2.88 0 C-N-CA 126.153 1.781 . . . . 0.0 110.978 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -69.36 -32.16 71.05 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 125.066 1.346 . . . . 0.0 109.723 172.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -44.52 72.71 Favored 'General case' 0 C--N 1.379 1.879 0 C-N-CA 124.692 1.197 . . . . 0.0 111.534 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.1 -41.14 82.26 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 125.153 1.381 . . . . 0.0 112.55 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.79 -36.58 80.7 Favored 'General case' 0 C--N 1.387 2.229 0 C-N-CA 126.277 1.831 . . . . 0.0 111.832 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -73.84 -27.57 61.17 Favored 'General case' 0 C--N 1.374 1.654 0 C-N-CA 123.709 0.804 . . . . 0.0 112.793 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 32.2 mt -64.08 -46.94 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 1.5 mt-10 -66.23 -46.15 78.18 Favored 'General case' 0 N--CA 1.503 2.211 0 C-N-CA 124.792 1.237 . . . . 0.0 112.368 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.36 -45.72 53.36 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.7 mt -86.48 -42.68 13.37 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.574 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 32.6 mt-30 -66.65 -38.4 86.8 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 123.827 0.705 . . . . 0.0 111.941 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.2 ttt180 -79.42 -36.81 38.43 Favored 'General case' 0 C--N 1.391 2.373 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.97 -27.46 54.76 Favored 'General case' 0 C--N 1.389 2.317 0 CA-C-N 119.206 0.912 . . . . 0.0 110.455 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.82 -27.66 55.24 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 124.216 1.006 . . . . 0.0 108.852 173.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.21 64.52 Favored 'General case' 0 C--N 1.411 3.268 0 C-N-CA 125.179 1.392 . . . . 0.0 112.834 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 p -85.8 -22.78 27.48 Favored 'General case' 0 C--N 1.379 1.887 0 C-N-CA 125.14 1.376 . . . . 0.0 109.723 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.92 -27.81 55.04 Favored 'General case' 0 C--N 1.386 2.178 0 C-N-CA 125.482 1.513 . . . . 0.0 111.518 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.3 p -79.17 -10.58 59.86 Favored 'General case' 0 N--CA 1.514 2.753 0 C-N-CA 125.236 1.414 . . . . 0.0 111.699 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.3 tt -92.82 -38.01 12.0 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 126.773 2.029 . . . . 0.0 109.712 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -73.26 -6.12 43.92 Favored 'General case' 0 C--N 1.374 1.646 0 C-N-CA 124.969 1.308 . . . . 0.0 111.607 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -69.87 -9.28 54.28 Favored 'General case' 0 N--CA 1.512 2.651 0 C-N-CA 126.402 1.881 . . . . 0.0 112.743 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -59.9 -44.94 93.96 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-N 110.833 -2.894 . . . . 0.0 106.06 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -154.87 -28.91 0.11 Allowed 'General case' 1 N--CA 1.543 4.2 0 N-CA-C 119.771 3.249 . . . . 0.0 119.771 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -97.61 -36.81 10.16 Favored 'General case' 0 N--CA 1.506 2.357 0 C-N-CA 125.113 1.365 . . . . 0.0 113.217 -175.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.32 -22.14 38.72 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -78.95 -4.65 50.92 Favored 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 127.51 2.324 . . . . 0.0 113.154 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.14 -57.92 1.34 Allowed Pre-proline 0 CA--C 1.596 2.718 0 CA-C-O 116.431 -1.747 . . . . 0.0 111.635 -173.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -90.08 -9.46 3.75 Favored 'Trans proline' 1 C--N 1.456 6.199 0 CA-C-N 123.47 2.275 . . . . 0.0 116.248 175.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.49 -137.78 9.88 Favored Glycine 0 C--N 1.362 2.011 0 N-CA-C 116.257 1.263 . . . . 0.0 116.257 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.02 -44.1 1.53 Allowed Glycine 0 CA--C 1.533 1.209 0 CA-C-N 113.146 -1.527 . . . . 0.0 109.859 -174.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.31 -14.0 8.81 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 125.681 1.593 . . . . 0.0 111.472 177.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.92 -29.0 64.93 Favored 'General case' 0 N--CA 1.513 2.708 0 C-N-CA 124.34 1.056 . . . . 0.0 112.949 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -68.9 -36.87 78.55 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 124.871 1.269 . . . . 0.0 110.755 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -67.94 -35.99 79.36 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 125.984 1.714 . . . . 0.0 111.629 175.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 6.8 mpt_? -72.51 -49.23 34.38 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 123.77 0.828 . . . . 0.0 110.931 175.167 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.43 -60.16 4.14 Favored 'General case' 0 CA--C 1.592 2.576 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.81 -44.74 26.49 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 116.909 2.188 . . . . 0.0 116.909 -175.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 43.6 mt-10 -71.98 -36.5 69.82 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -178.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 8.2 m-85 -68.83 -41.46 78.53 Favored 'General case' 0 C--N 1.388 2.257 0 C-N-CA 123.253 0.621 . . . . 0.0 112.377 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -70.38 -38.39 74.71 Favored 'General case' 0 C--N 1.384 2.095 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.59 -43.77 72.13 Favored 'General case' 0 N--CA 1.518 2.933 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -70.29 -36.89 74.66 Favored 'General case' 0 N--CA 1.505 2.303 0 C-N-CA 124.373 1.069 . . . . 0.0 113.348 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -67.81 -37.03 81.44 Favored 'General case' 0 C--N 1.379 1.884 0 C-N-CA 124.737 1.215 . . . . 0.0 113.269 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -66.41 -41.82 88.7 Favored 'General case' 0 C--N 1.383 2.043 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -72.32 -41.46 66.52 Favored 'General case' 0 N--CA 1.51 2.553 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 178.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.0 -34.23 71.62 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-N 118.405 0.548 . . . . 0.0 110.515 174.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -30.54 65.3 Favored 'General case' 0 C--N 1.377 1.767 0 C-N-CA 124.785 1.234 . . . . 0.0 113.533 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.55 87.94 Favored 'General case' 0 C--N 1.402 2.885 0 C-N-CA 125.089 1.356 . . . . 0.0 111.852 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.53 -37.51 86.96 Favored 'General case' 0 C--N 1.395 2.58 0 O-C-N 125.086 1.491 . . . . 0.0 110.767 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -67.62 -38.14 83.49 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 125.203 1.401 . . . . 0.0 111.144 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -73.37 -44.84 57.86 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.32 -41.39 80.89 Favored 'General case' 0 N--CA 1.515 2.817 0 C-N-CA 124.429 1.091 . . . . 0.0 113.403 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.21 -37.88 86.61 Favored 'General case' 0 C--N 1.384 2.101 0 C-N-CA 124.637 1.175 . . . . 0.0 112.009 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 0.9 OUTLIER -66.73 -36.27 82.06 Favored 'General case' 0 C--N 1.39 2.364 0 CA-C-O 117.337 -1.316 . . . . 0.0 113.585 178.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -69.33 -47.32 64.78 Favored 'General case' 0 C--O 1.276 2.453 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -175.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -73.28 -39.46 65.35 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 113.297 -1.774 . . . . 0.0 113.958 -174.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.532 ' HB2' HD21 ' A' ' 141' ' ' LEU . 73.9 m-85 -89.54 -10.52 45.85 Favored 'General case' 0 CA--C 1.578 2.048 0 C-N-CA 124.049 0.94 . . . . 0.0 113.464 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -64.52 -37.1 86.39 Favored 'General case' 0 N--CA 1.521 3.077 0 C-N-CA 125.684 1.594 . . . . 0.0 111.95 175.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -78.18 -14.7 59.35 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 125.92 1.688 . . . . 0.0 113.545 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.74 -23.19 16.03 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 124.917 1.287 . . . . 0.0 110.011 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 70.81 82.63 0.15 Allowed 'General case' 0 C--N 1.395 2.571 0 C-N-CA 128.008 2.523 . . . . 0.0 109.813 -176.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.03 104.07 46.98 Favored Pre-proline 0 CA--C 1.558 1.278 0 CA-C-N 112.151 -2.295 . . . . 0.0 113.535 -177.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -62.45 -9.54 15.9 Favored 'Trans proline' 1 C--N 1.434 5.027 0 C-N-CA 124.225 3.283 . . . . 0.0 112.648 171.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 35.7 tt0 -58.41 -37.08 74.6 Favored 'General case' 0 CA--C 1.577 1.999 0 C-N-CA 125.46 1.504 . . . . 0.0 111.795 175.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 133' ' ' TYR . 8.1 mt -66.33 -32.7 74.26 Favored 'General case' 0 N--CA 1.517 2.902 0 C-N-CA 126.044 1.738 . . . . 0.0 112.642 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.18 77.21 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 114.25 -1.341 . . . . 0.0 109.702 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -72.14 -38.75 69.17 Favored 'General case' 0 CA--C 1.583 2.225 0 C-N-CA 123.679 0.792 . . . . 0.0 111.945 173.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 23.8 mt-10 -76.94 -45.97 25.85 Favored 'General case' 0 N--CA 1.515 2.781 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 73.2 mt -68.02 -41.88 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.063 0 C-N-CA 125.65 1.58 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 86.0 m -62.67 -40.42 97.04 Favored 'General case' 0 CA--C 1.584 2.265 0 O-C-N 124.523 1.14 . . . . 0.0 110.255 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.71 93.37 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 124.54 1.136 . . . . 0.0 112.457 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.27 -28.08 61.05 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 125.015 1.326 . . . . 0.0 111.747 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -31.63 71.33 Favored 'General case' 0 C--N 1.393 2.467 0 C-N-CA 126.122 1.769 . . . . 0.0 111.744 177.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -75.01 -34.43 61.92 Favored 'General case' 0 C--N 1.388 2.271 0 C-N-CA 125.329 1.452 . . . . 0.0 109.275 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -71.44 -35.34 70.9 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 125.219 1.408 . . . . 0.0 112.669 178.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.66 -41.29 98.23 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 124.832 1.253 . . . . 0.0 109.894 173.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.6 p -75.86 -37.25 59.12 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 123.959 0.787 . . . . 0.0 112.671 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -73.48 -29.39 62.48 Favored 'General case' 0 N--CA 1.516 2.86 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 178.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 5.3 t -75.92 -35.34 59.8 Favored 'General case' 0 C--N 1.38 1.928 0 C-N-CA 124.242 1.017 . . . . 0.0 109.891 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -67.34 -38.82 85.47 Favored 'General case' 0 C--N 1.393 2.493 0 C-N-CA 125.309 1.443 . . . . 0.0 111.552 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 20.7 m -70.3 -41.09 73.81 Favored 'General case' 0 C--N 1.384 2.083 0 C-N-CA 125.937 1.695 . . . . 0.0 111.311 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.59 87.31 Favored 'General case' 0 C--N 1.381 1.978 0 C-N-CA 125.945 1.698 . . . . 0.0 112.765 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 39.2 mt -70.57 -40.24 77.01 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.175 0 C-N-CA 125.691 1.597 . . . . 0.0 110.088 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.43 99.31 Favored 'General case' 0 C--N 1.393 2.492 0 C-N-CA 124.554 1.141 . . . . 0.0 113.796 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.0 -39.5 79.27 Favored 'General case' 0 N--CA 1.512 2.658 0 C-N-CA 125.131 1.372 . . . . 0.0 113.293 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 14.9 p -71.61 -30.16 65.48 Favored 'General case' 0 N--CA 1.508 2.436 0 C-N-CA 124.473 1.109 . . . . 0.0 112.425 178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.82 -31.76 65.04 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 124.735 1.214 . . . . 0.0 112.174 177.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.16 -37.1 80.65 Favored 'General case' 0 N--CA 1.513 2.69 0 C-N-CA 125.068 1.347 . . . . 0.0 112.318 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.14 -33.03 71.3 Favored 'General case' 0 C--N 1.376 1.757 0 C-N-CA 124.797 1.239 . . . . 0.0 110.481 176.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.9 mt -73.45 -29.21 62.4 Favored 'General case' 0 C--N 1.39 2.332 0 C-N-CA 125.422 1.489 . . . . 0.0 112.124 177.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.56 -32.29 71.0 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 125.853 1.661 . . . . 0.0 112.779 177.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -79.95 -13.33 59.44 Favored 'General case' 0 C--N 1.383 2.064 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -177.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.12 -2.33 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 CA-C-N 118.954 0.797 . . . . 0.0 110.143 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 32.4 m -98.76 3.3 47.51 Favored 'General case' 0 CA--C 1.586 2.36 0 C-N-CA 124.991 1.316 . . . . 0.0 111.305 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 . . . . . 0 N--CA 1.531 3.577 0 C-N-CA 127.018 2.127 . . . . 0.0 113.564 -179.082 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.117 0.484 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -116.39 122.78 45.84 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 124.033 0.933 . . . . 0.0 111.379 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.48 -56.71 0.03 OUTLIER Pre-proline 0 CA--C 1.581 2.157 0 CA-C-O 116.175 -1.869 . . . . 0.0 111.827 178.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -75.78 112.89 3.61 Favored 'Trans proline' 1 C--N 1.451 5.963 0 CA-C-N 123.915 2.434 . . . . 0.0 113.644 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.04 -48.09 5.26 Favored 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 123.084 0.554 . . . . 0.0 111.565 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -38.07 50.4 Favored 'General case' 0 C--N 1.372 1.577 0 C-N-CA 125.195 1.398 . . . . 0.0 112.435 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -33.04 72.93 Favored 'General case' 0 C--N 1.381 1.971 0 C-N-CA 124.486 1.115 . . . . 0.0 111.683 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -69.49 -37.54 77.28 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 124.558 1.161 . . . . 0.0 111.522 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.5 m -71.48 -40.77 70.03 Favored 'General case' 0 C--N 1.383 2.065 0 C-N-CA 123.634 0.774 . . . . 0.0 111.343 176.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mt -58.86 -44.71 91.09 Favored 'General case' 0 C--N 1.388 2.278 0 O-C-N 124.336 1.022 . . . . 0.0 112.27 173.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -65.49 -39.56 92.06 Favored 'General case' 0 C--N 1.397 2.641 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -70.04 -36.93 75.41 Favored 'General case' 0 C--N 1.378 1.827 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.777 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.89 -30.4 71.5 Favored 'General case' 0 N--CA 1.51 2.537 0 C-N-CA 124.268 1.027 . . . . 0.0 111.803 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.63 -44.94 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.332 0 C-N-CA 125.357 1.463 . . . . 0.0 110.021 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.17 -28.71 66.65 Favored 'General case' 0 N--CA 1.505 2.293 0 C-N-CA 124.152 0.981 . . . . 0.0 111.283 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.64 91.26 Favored 'General case' 0 N--CA 1.506 2.367 0 C-N-CA 125.45 1.5 . . . . 0.0 109.453 172.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.83 -37.48 73.19 Favored 'General case' 0 C--N 1.374 1.653 0 CA-C-O 117.497 -1.239 . . . . 0.0 111.037 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -59.48 -39.28 83.22 Favored 'General case' 0 N--CA 1.531 3.606 0 C-N-CA 126.313 1.845 . . . . 0.0 113.877 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.79 -14.11 56.82 Favored 'General case' 0 CA--C 1.56 1.354 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 176.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 mp -99.68 -25.84 14.26 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 124.236 1.014 . . . . 0.0 110.233 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.38 15.45 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 C-N-CA 127.405 2.282 . . . . 0.0 112.182 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.43 -67.82 1.68 Allowed Glycine 0 N--CA 1.489 2.223 0 CA-C-O 117.181 -1.9 . . . . 0.0 114.001 -175.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -71.7 -8.1 22.47 Favored 'Trans proline' 1 C--N 1.426 4.631 0 CA-C-N 122.042 2.921 . . . . 0.0 115.532 176.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mt -91.9 -6.49 51.36 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 125.759 1.624 . . . . 0.0 112.944 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.79 86.81 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 44' ' ' ALA . 19.3 m -96.53 -20.91 18.02 Favored 'General case' 0 C--N 1.385 2.147 0 C-N-CA 124.036 0.934 . . . . 0.0 113.002 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -104.01 146.64 28.4 Favored 'General case' 0 N--CA 1.504 2.261 0 C-N-CA 125.06 1.344 . . . . 0.0 112.105 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 74.1 137.53 0.06 Allowed 'General case' 0 N--CA 1.538 3.958 0 C-N-CA 127.229 2.212 . . . . 0.0 113.763 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -101.25 6.89 43.1 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 124.104 0.962 . . . . 0.0 113.47 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -108.52 144.67 35.86 Favored 'General case' 0 CA--C 1.584 2.267 0 C-N-CA 124.105 0.962 . . . . 0.0 110.464 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.8 m -114.08 104.81 54.76 Favored Pre-proline 0 C--N 1.392 2.426 0 CA-C-N 118.723 0.692 . . . . 0.0 112.469 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -81.63 -59.54 0.03 OUTLIER 'Trans proline' 1 C--N 1.432 4.949 0 C-N-CA 122.231 1.954 . . . . 0.0 114.977 175.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -119.22 14.59 13.04 Favored 'General case' 0 C--N 1.385 2.138 0 C-N-CA 125.362 1.465 . . . . 0.0 112.147 177.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.33 110.76 11.12 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.9 90.66 6.58 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 118.892 -1.123 . . . . 0.0 110.328 -178.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -83.56 -4.54 58.64 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 113.399 -1.728 . . . . 0.0 114.01 -177.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -80.15 -26.96 39.11 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.003 0.921 . . . . 0.0 110.921 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 mt -100.4 -3.99 29.92 Favored 'General case' 0 C--N 1.385 2.123 0 C-N-CA 123.851 0.86 . . . . 0.0 111.921 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -120.87 155.88 33.17 Favored 'General case' 0 C--N 1.382 1.988 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.51 111.98 16.94 Favored 'General case' 0 C--N 1.378 1.812 0 CA-C-N 113.814 -1.539 . . . . 0.0 107.014 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.5 t -137.53 158.58 44.08 Favored 'General case' 0 N--CA 1.499 1.993 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.466 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -108.46 47.04 0.92 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -176.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.23 -69.59 0.49 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 118.869 2.307 . . . . 0.0 118.869 169.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 26' ' ' SER . . . -173.08 60.09 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 119.939 1.87 . . . . 0.0 110.571 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -135.19 136.37 41.74 Favored 'General case' 0 CA--C 1.558 1.265 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -178.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -28.12 65.26 Favored 'General case' 0 N--CA 1.526 3.34 0 C-N-CA 123.884 0.873 . . . . 0.0 109.068 171.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.22 -36.39 92.34 Favored Glycine 0 C--N 1.382 3.1 0 O-C-N 125.062 1.476 . . . . 0.0 113.981 176.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -23.53 39.76 Favored 'General case' 0 C--N 1.395 2.575 0 CA-C-N 117.756 0.778 . . . . 0.0 112.138 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -81.28 -31.74 33.53 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.193 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mt -77.22 -34.33 56.06 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 125.021 1.328 . . . . 0.0 112.755 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.09 -31.06 68.45 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.309 1.444 . . . . 0.0 111.253 176.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -80.04 -31.45 39.5 Favored 'General case' 0 C--N 1.382 2.009 0 C-N-CA 123.404 0.681 . . . . 0.0 109.402 178.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.22 -40.4 67.83 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 125.195 1.559 . . . . 0.0 112.122 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -67.35 -37.74 83.72 Favored 'General case' 0 N--CA 1.503 2.222 0 C-N-CA 124.873 1.269 . . . . 0.0 110.858 174.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.63 -26.04 61.52 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 126.087 1.755 . . . . 0.0 112.977 177.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 m -78.31 -30.74 48.47 Favored 'General case' 0 C--N 1.386 2.184 0 C-N-CA 123.991 0.916 . . . . 0.0 110.275 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.19 -43.39 67.52 Favored 'General case' 0 C--N 1.383 2.037 0 C-N-CA 124.372 1.069 . . . . 0.0 110.684 176.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.1 p -70.72 -31.62 68.54 Favored 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 125.761 1.624 . . . . 0.0 114.197 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -77.51 -42.29 36.16 Favored 'General case' 0 N--CA 1.513 2.712 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.31 -32.28 72.29 Favored 'General case' 0 C--N 1.389 2.325 0 C-N-CA 124.246 1.018 . . . . 0.0 111.222 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 11.6 mt-10 -66.24 -32.61 74.13 Favored 'General case' 0 C--N 1.386 2.177 0 C-N-CA 126.063 1.745 . . . . 0.0 112.103 176.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.3 90.57 Favored 'General case' 0 C--N 1.391 2.406 0 C-N-CA 124.058 0.943 . . . . 0.0 112.325 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.29 67.93 Favored 'General case' 0 C--N 1.395 2.559 0 C-N-CA 123.763 0.825 . . . . 0.0 112.162 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 52.4 t -60.92 -38.83 80.19 Favored 'Isoleucine or valine' 0 C--N 1.383 2.058 0 C-N-CA 126.462 1.905 . . . . 0.0 110.365 175.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -53.33 -33.01 51.7 Favored 'General case' 0 C--N 1.392 2.444 0 O-C-N 124.902 1.376 . . . . 0.0 112.682 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -70.27 -37.42 74.86 Favored 'General case' 0 C--N 1.402 2.858 0 C-N-CA 125.336 1.454 . . . . 0.0 112.69 176.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.13 35.65 1.77 Allowed Glycine 0 C--N 1.375 2.708 0 N-CA-C 116.443 1.337 . . . . 0.0 116.443 175.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.25 110.26 21.79 Favored 'General case' 0 C--N 1.38 1.911 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.17 -25.02 62.36 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 113.594 -1.639 . . . . 0.0 113.536 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.9 m -71.67 -37.69 70.73 Favored 'General case' 0 CA--C 1.572 1.825 0 C-N-CA 124.954 1.302 . . . . 0.0 111.047 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -75.74 -22.61 56.37 Favored 'General case' 0 C--N 1.39 2.364 0 C-N-CA 124.105 0.962 . . . . 0.0 112.018 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.9 t -76.68 -48.47 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 C-N-CA 126.387 1.875 . . . . 0.0 109.699 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.33 84.39 Favored 'General case' 0 C--N 1.386 2.153 0 C-N-CA 127.184 2.194 . . . . 0.0 112.494 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -41.7 98.12 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 125.771 1.628 . . . . 0.0 109.643 172.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.4 tt -71.47 -37.56 71.32 Favored 'General case' 0 CA--C 1.572 1.792 0 C-N-CA 124.586 1.154 . . . . 0.0 109.81 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.81 -40.67 97.17 Favored 'General case' 0 N--CA 1.512 2.644 0 C-N-CA 124.787 1.235 . . . . 0.0 112.269 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -70.91 -37.91 72.96 Favored 'General case' 0 N--CA 1.517 2.886 0 C-N-CA 126.36 1.864 . . . . 0.0 110.92 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -70.24 -33.91 72.2 Favored 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 125.509 1.523 . . . . 0.0 110.377 173.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -45.4 70.53 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 124.46 1.104 . . . . 0.0 112.338 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -67.96 -41.38 82.53 Favored 'General case' 0 C--N 1.388 2.258 0 C-N-CA 125.083 1.353 . . . . 0.0 112.96 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.17 83.91 Favored 'General case' 0 C--N 1.389 2.315 0 C-N-CA 126.079 1.751 . . . . 0.0 112.124 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -73.11 -28.04 62.04 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 123.511 0.724 . . . . 0.0 112.876 176.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.544 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 27.7 mt -63.14 -46.65 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.362 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.72 -47.32 72.71 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 124.628 1.171 . . . . 0.0 112.539 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.2 -44.47 62.92 Favored 'General case' 0 C--N 1.377 1.803 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.2 mt -86.45 -46.62 10.04 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -175.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 19.4 mt-30 -65.24 -36.0 82.78 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 124.068 0.855 . . . . 0.0 112.737 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -74.91 -41.02 60.52 Favored 'General case' 0 CA--C 1.585 2.321 0 C-N-CA 124.752 1.221 . . . . 0.0 113.346 177.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -75.52 -26.65 58.24 Favored 'General case' 0 C--N 1.392 2.436 0 CA-C-N 119.753 1.161 . . . . 0.0 110.132 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.35 -24.0 50.79 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 126.017 1.727 . . . . 0.0 110.331 174.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.6 91.21 Favored 'General case' 0 C--N 1.409 3.179 0 C-N-CA 123.741 0.816 . . . . 0.0 113.202 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 p -76.03 -29.15 57.99 Favored 'General case' 0 C--N 1.389 2.317 0 C-N-CA 124.766 1.226 . . . . 0.0 111.191 175.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.94 -34.92 70.41 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 125.171 1.388 . . . . 0.0 113.727 174.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.3 p -73.83 -8.35 55.71 Favored 'General case' 0 N--CA 1.523 3.214 0 C-N-CA 125.1 1.36 . . . . 0.0 114.048 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.85 -13.13 59.99 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 126.199 1.8 . . . . 0.0 112.696 172.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -93.77 -4.6 49.99 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 122.162 0.982 . . . . 0.0 108.433 172.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -113.96 26.82 10.01 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 126.698 1.999 . . . . 0.0 112.828 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -121.13 -7.56 9.37 Favored 'General case' 0 CA--C 1.574 1.871 0 N-CA-C 104.408 -2.441 . . . . 0.0 104.408 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.78 -150.56 0.46 Allowed 'General case' 0 C--N 1.408 3.126 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -177.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -95.97 1.34 52.72 Favored 'General case' 0 N--CA 1.518 2.973 0 C-N-CA 124.908 1.283 . . . . 0.0 111.265 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.27 -11.33 59.82 Favored 'General case' 0 CA--C 1.576 1.948 0 C-N-CA 128.973 2.909 . . . . 0.0 109.814 173.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -62.89 -35.95 81.74 Favored 'General case' 0 CA--C 1.581 2.161 0 CA-C-N 112.041 -2.345 . . . . 0.0 114.462 -174.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.02 -53.86 31.04 Favored Pre-proline 0 CA--C 1.595 2.706 0 CA-C-O 116.133 -1.889 . . . . 0.0 113.012 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -85.27 -4.65 9.46 Favored 'Trans proline' 1 C--N 1.451 5.927 0 CA-C-N 123.991 2.461 . . . . 0.0 115.188 174.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -140.93 97.82 0.22 Allowed Glycine 0 C--N 1.357 1.748 0 N-CA-C 107.898 -2.081 . . . . 0.0 107.898 174.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 171.6 -52.31 0.18 Allowed Glycine 0 C--N 1.344 1.015 0 CA-C-O 119.582 -0.565 . . . . 0.0 112.152 -173.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -66.05 -41.22 91.13 Favored 'General case' 0 N--CA 1.511 2.61 0 C-N-CA 125.021 1.328 . . . . 0.0 113.059 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.457 ' H ' ' HG ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -76.3 -29.28 57.28 Favored 'General case' 0 N--CA 1.506 2.355 0 C-N-CA 124.543 1.137 . . . . 0.0 112.59 176.354 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -70.49 -35.03 73.01 Favored 'General case' 0 C--N 1.382 1.984 0 C-N-CA 125.045 1.338 . . . . 0.0 110.738 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -65.47 -34.91 79.39 Favored 'General case' 0 C--N 1.396 2.595 0 C-N-CA 126.248 1.819 . . . . 0.0 111.0 173.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.605 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -71.91 -45.72 60.2 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 123.481 0.713 . . . . 0.0 110.401 174.902 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -62.49 1.76 Allowed 'General case' 0 CA--C 1.599 2.859 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.76 -42.06 18.44 Favored 'General case' 0 C--N 1.383 2.027 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -175.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 31.2 mt-10 -75.04 -28.16 60.32 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.605 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 4.0 m-85 -69.9 -40.34 75.67 Favored 'General case' 0 C--N 1.392 2.431 0 CA-C-N 118.581 0.628 . . . . 0.0 112.138 176.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -70.12 -35.45 74.12 Favored 'General case' 0 C--N 1.386 2.175 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.77 -40.74 79.57 Favored 'General case' 0 N--CA 1.517 2.898 0 C-N-CA 124.494 1.118 . . . . 0.0 113.723 178.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -70.41 -35.66 73.56 Favored 'General case' 0 N--CA 1.507 2.387 0 C-N-CA 124.504 1.122 . . . . 0.0 112.372 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -71.11 -27.96 63.96 Favored 'General case' 0 C--N 1.383 2.038 0 C-N-CA 124.974 1.309 . . . . 0.0 111.978 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -66.36 -47.41 73.49 Favored 'General case' 0 C--N 1.387 2.21 0 C-N-CA 125.985 1.714 . . . . 0.0 113.447 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -72.23 -39.39 68.52 Favored 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.6 mt -59.46 -34.32 72.38 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 123.582 0.551 . . . . 0.0 110.442 173.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.16 -31.59 67.88 Favored 'General case' 0 C--N 1.379 1.87 0 C-N-CA 124.567 1.147 . . . . 0.0 113.143 176.196 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.21 92.46 Favored 'General case' 0 C--N 1.404 2.959 0 C-N-CA 125.202 1.401 . . . . 0.0 112.405 -177.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.2 mtt -64.37 -39.81 94.6 Favored 'General case' 0 C--N 1.396 2.619 0 O-C-N 125.111 1.507 . . . . 0.0 110.719 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -66.12 -40.76 90.95 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 124.545 1.138 . . . . 0.0 110.668 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -64.13 -40.66 96.66 Favored 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 -175.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.01 -40.53 78.61 Favored 'General case' 0 N--CA 1.51 2.569 0 C-N-CA 123.897 0.879 . . . . 0.0 111.976 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.68 -32.36 69.59 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 124.522 1.129 . . . . 0.0 112.462 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -65.89 -42.82 89.8 Favored 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 125.712 1.605 . . . . 0.0 113.682 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -73.14 -42.93 62.32 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.04 -40.25 68.51 Favored 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -173.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -88.94 -13.61 38.61 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.56 90.02 Favored 'General case' 0 N--CA 1.515 2.786 0 C-N-CA 125.42 1.488 . . . . 0.0 113.359 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -84.62 -17.11 39.71 Favored 'General case' 0 N--CA 1.508 2.427 0 C-N-CA 125.94 1.696 . . . . 0.0 114.026 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -93.34 -19.97 20.82 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 126.141 1.776 . . . . 0.0 109.584 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.14 88.16 0.09 Allowed 'General case' 0 C--N 1.389 2.307 0 C-N-CA 126.47 1.908 . . . . 0.0 108.257 -176.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.98 128.43 21.48 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-N 112.155 -2.293 . . . . 0.0 115.973 -175.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -68.97 -8.35 23.32 Favored 'Trans proline' 1 C--N 1.428 4.756 0 C-N-CA 122.814 2.343 . . . . 0.0 111.568 170.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -64.1 -27.87 69.39 Favored 'General case' 0 C--N 1.391 2.397 0 C-N-CA 123.888 0.875 . . . . 0.0 111.427 176.496 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.32 -40.99 83.55 Favored 'General case' 0 N--CA 1.521 3.093 0 C-N-CA 126.01 1.724 . . . . 0.0 112.004 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.37 70.66 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-N 113.251 -1.795 . . . . 0.0 110.751 -175.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -72.16 -38.93 69.05 Favored 'General case' 0 CA--C 1.58 2.117 0 O-C-N 123.918 0.761 . . . . 0.0 112.358 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 29.9 mt-10 -78.07 -50.04 12.81 Favored 'General case' 0 N--CA 1.511 2.591 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -177.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.464 ' O ' ' HB2' ' A' ' 149' ' ' ASP . 5.7 mt -69.35 -39.79 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.66 0 C-N-CA 124.182 0.993 . . . . 0.0 110.445 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 92.4 m -63.41 -40.93 98.53 Favored 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 123.73 0.812 . . . . 0.0 110.974 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.32 93.72 Favored 'General case' 0 N--CA 1.511 2.599 0 C-N-CA 124.248 1.019 . . . . 0.0 112.865 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.37 -27.63 59.21 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 124.659 1.184 . . . . 0.0 111.599 177.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 0.4 OUTLIER -69.52 -31.74 70.16 Favored 'General case' 0 C--N 1.394 2.51 0 C-N-CA 125.972 1.709 . . . . 0.0 110.988 177.886 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -74.06 -36.17 64.33 Favored 'General case' 0 C--N 1.389 2.292 0 C-N-CA 126.142 1.777 . . . . 0.0 109.36 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -72.03 -32.86 67.55 Favored 'General case' 0 C--N 1.386 2.162 0 C-N-CA 125.534 1.534 . . . . 0.0 112.352 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.56 -39.69 91.97 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 124.57 1.148 . . . . 0.0 108.893 174.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 17.6 p -76.65 -35.16 58.15 Favored 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 123.596 0.758 . . . . 0.0 112.144 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -70.38 -31.48 68.74 Favored 'General case' 0 N--CA 1.509 2.488 0 C-N-CA 124.766 1.227 . . . . 0.0 112.05 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 66.8 m -70.58 -37.73 73.98 Favored 'General case' 0 C--N 1.383 2.057 0 C-N-CA 123.83 0.852 . . . . 0.0 110.158 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -37.13 74.03 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 124.451 1.101 . . . . 0.0 113.636 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -42.33 68.45 Favored 'General case' 0 CA--C 1.573 1.845 0 C-N-CA 124.023 0.929 . . . . 0.0 111.449 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.8 75.1 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.237 1.415 . . . . 0.0 112.844 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 46.4 mt -70.2 -43.93 78.34 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.742 0 C-N-CA 125.744 1.618 . . . . 0.0 109.861 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.83 94.59 Favored 'General case' 0 N--CA 1.511 2.623 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -65.34 -39.47 92.42 Favored 'General case' 0 N--CA 1.516 2.848 0 C-N-CA 124.785 1.234 . . . . 0.0 113.598 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 17.7 p -70.6 -33.12 70.69 Favored 'General case' 0 N--CA 1.511 2.618 0 C-N-CA 124.045 0.938 . . . . 0.0 112.246 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.13 -36.36 74.72 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 125.043 1.337 . . . . 0.0 112.127 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.5 -37.38 86.61 Favored 'General case' 0 N--CA 1.516 2.842 0 C-N-CA 125.189 1.395 . . . . 0.0 112.619 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.0 -33.35 73.52 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.725 1.21 . . . . 0.0 110.899 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -28.67 54.1 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 125.663 1.585 . . . . 0.0 112.046 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -68.68 -34.89 76.45 Favored 'General case' 0 N--CA 1.506 2.363 0 C-N-CA 125.935 1.694 . . . . 0.0 112.13 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.76 -3.74 45.84 Favored 'General case' 0 C--N 1.385 2.125 0 C-N-CA 125.37 1.468 . . . . 0.0 114.503 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 6.2 mt -104.47 103.92 16.02 Favored 'Isoleucine or valine' 0 C--N 1.37 1.457 0 CA-C-O 123.966 1.841 . . . . 0.0 107.228 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . 0.253 3.6 m 49.44 56.86 7.19 Favored 'General case' 0 CA--C 1.562 1.44 0 CA-C-N 108.649 -3.887 . . . . 0.0 112.763 -175.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 . . . . . 0 N--CA 1.508 2.455 0 CA-C-N 112.948 -1.933 . . . . 0.0 115.103 174.525 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -105.42 -43.1 5.06 Favored 'General case' 0 N--CA 1.503 2.186 0 C-N-CA 123.99 0.916 . . . . 0.0 112.857 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -128.83 90.46 45.92 Favored Pre-proline 0 CA--C 1.573 1.831 0 C-N-CA 123.651 0.781 . . . . 0.0 111.333 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.93 -16.01 42.29 Favored 'Trans proline' 1 C--N 1.43 4.843 0 C-N-CA 124.486 3.457 . . . . 0.0 117.838 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mt -84.39 -36.04 22.73 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 119.045 0.839 . . . . 0.0 111.805 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.11 -36.37 48.04 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 125.049 1.34 . . . . 0.0 112.448 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -31.93 70.48 Favored 'General case' 0 C--N 1.385 2.114 0 C-N-CA 123.939 0.896 . . . . 0.0 109.535 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.41 -37.42 85.18 Favored 'General case' 0 C--N 1.372 1.561 0 O-C-N 124.675 1.235 . . . . 0.0 110.531 177.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -70.03 -40.95 74.87 Favored 'General case' 0 C--N 1.385 2.15 0 C-N-CA 124.171 0.988 . . . . 0.0 110.833 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.58 -43.94 89.62 Favored 'General case' 0 C--N 1.39 2.336 0 O-C-N 124.399 1.062 . . . . 0.0 112.093 173.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -64.76 -40.65 95.63 Favored 'General case' 0 C--N 1.401 2.835 0 C-N-CA 125.393 1.477 . . . . 0.0 114.734 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -69.68 -36.36 75.92 Favored 'General case' 0 C--N 1.378 1.829 0 CA-C-O 117.858 -1.067 . . . . 0.0 110.588 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.74 -30.99 71.85 Favored 'General case' 0 N--CA 1.504 2.253 0 C-N-CA 123.991 0.916 . . . . 0.0 111.498 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.4 t -75.87 -47.94 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.475 0 C-N-CA 125.711 1.604 . . . . 0.0 111.32 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.49 -29.42 67.06 Favored 'General case' 0 N--CA 1.505 2.311 0 CA-C-N 118.807 0.731 . . . . 0.0 111.342 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.95 93.58 Favored 'General case' 0 N--CA 1.511 2.588 0 C-N-CA 125.054 1.342 . . . . 0.0 110.331 171.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -34.91 68.55 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 125.296 1.438 . . . . 0.0 111.568 177.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -60.68 -39.94 90.31 Favored 'General case' 0 N--CA 1.508 2.436 0 C-N-CA 127.385 2.274 . . . . 0.0 111.785 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -29.4 64.48 Favored 'General case' 0 N--CA 1.505 2.28 0 C-N-CA 124.197 0.999 . . . . 0.0 111.942 175.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.38 -21.34 45.86 Favored 'General case' 0 CA--C 1.589 2.448 0 C-N-CA 123.683 0.793 . . . . 0.0 112.075 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.411 ' O ' HG22 ' A' ' 21' ' ' ILE . 63.3 mt -110.45 18.48 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.551 0 C-N-CA 128.275 2.63 . . . . 0.0 109.14 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.01 -84.56 0.16 Allowed Glycine 0 C--N 1.369 2.4 0 CA-C-O 116.713 -2.159 . . . . 0.0 112.383 -176.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -66.75 -2.42 7.58 Favored 'Trans proline' 1 C--N 1.421 4.378 0 CA-C-N 122.183 2.991 . . . . 0.0 115.125 175.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.62 -8.69 54.24 Favored 'General case' 0 CA--C 1.58 2.122 0 C-N-CA 126.407 1.883 . . . . 0.0 113.134 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.431 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -63.69 -41.16 98.18 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 126.672 1.989 . . . . 0.0 115.846 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.01 -34.89 13.54 Favored 'General case' 0 C--N 1.384 2.104 0 C-N-CA 124.24 1.016 . . . . 0.0 111.266 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -118.49 119.9 35.91 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 125.497 1.519 . . . . 0.0 112.123 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -85.09 122.44 29.31 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 123.574 0.75 . . . . 0.0 112.752 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -117.84 -125.55 0.28 Allowed 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 124.063 0.945 . . . . 0.0 110.773 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -133.11 93.34 3.16 Favored 'General case' 0 C--N 1.386 2.189 0 CA-C-N 119.779 1.172 . . . . 0.0 112.206 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.4 m -114.79 118.38 40.97 Favored Pre-proline 0 C--N 1.382 2.022 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.413 175.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.92 -18.54 27.87 Favored 'Trans proline' 1 C--N 1.429 4.776 0 C-N-CA 122.837 2.358 . . . . 0.0 116.522 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -106.92 23.53 14.22 Favored 'General case' 0 CA--C 1.581 2.147 0 C-N-CA 125.044 1.338 . . . . 0.0 112.529 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.24 107.02 2.64 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 123.9 0.88 . . . . 0.0 110.543 -178.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.44 92.39 3.61 Favored 'General case' 0 C--N 1.377 1.775 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.853 178.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -82.5 -3.37 55.75 Favored 'General case' 0 N--CA 1.51 2.564 0 C-N-CA 125.308 1.443 . . . . 0.0 114.085 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -79.17 -16.71 56.2 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 123.712 0.805 . . . . 0.0 112.487 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.37 -4.53 59.19 Favored 'General case' 0 C--N 1.387 2.205 0 C-N-CA 123.753 0.821 . . . . 0.0 113.089 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.97 156.32 29.79 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 123.823 0.849 . . . . 0.0 112.573 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.54 112.3 18.32 Favored 'General case' 0 C--N 1.382 1.999 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.8 m 68.01 113.44 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.42 0 C-N-CA 127.87 2.468 . . . . 0.0 113.898 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -91.42 -45.64 8.44 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 112.251 -2.249 . . . . 0.0 110.969 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.06 8.12 41.03 Favored Glycine 1 N--CA 1.519 4.188 0 CA-C-O 115.823 -2.654 . . . . 0.0 118.241 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 60.51 29.06 18.72 Favored 'General case' 0 C--N 1.407 3.106 0 CA-C-N 121.844 2.822 . . . . 0.0 112.241 -175.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -156.4 151.17 25.95 Favored 'General case' 0 C--N 1.376 1.729 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -175.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.431 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 5.8 mp -70.61 -22.68 62.51 Favored 'General case' 0 N--CA 1.522 3.174 0 C-N-CA 124.996 1.318 . . . . 0.0 108.69 169.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.75 -35.69 87.21 Favored Glycine 0 C--N 1.382 3.134 0 C-N-CA 124.965 1.269 . . . . 0.0 114.377 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.88 -23.46 39.0 Favored 'General case' 0 C--N 1.395 2.585 0 CA-C-N 117.879 0.84 . . . . 0.0 111.206 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -81.08 -31.61 34.32 Favored 'General case' 0 C--N 1.388 2.265 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.861 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -77.6 -33.08 53.93 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 125.136 1.375 . . . . 0.0 112.301 176.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -39.16 73.6 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.154 1.382 . . . . 0.0 111.863 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.07 -32.19 61.44 Favored 'General case' 0 C--N 1.384 2.083 0 C-N-CA 123.687 0.795 . . . . 0.0 111.378 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.12 -39.28 68.97 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 125.117 1.511 . . . . 0.0 112.261 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.12 -40.21 86.78 Favored 'General case' 0 CA--C 1.576 1.967 0 C-N-CA 124.166 0.986 . . . . 0.0 110.346 175.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -72.92 -25.73 61.16 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 126.503 1.921 . . . . 0.0 113.779 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 t -79.15 -34.06 43.59 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 123.939 0.896 . . . . 0.0 110.035 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.2 tp -72.13 -39.81 68.56 Favored 'General case' 0 C--N 1.381 1.957 0 C-N-CA 125.081 1.352 . . . . 0.0 110.617 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.1 p -71.17 -30.41 66.39 Favored 'General case' 0 N--CA 1.508 2.453 0 C-N-CA 125.204 1.402 . . . . 0.0 112.788 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -77.47 -35.46 53.75 Favored 'General case' 0 N--CA 1.51 2.532 0 C-N-CA 123.881 0.872 . . . . 0.0 112.611 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.28 -33.08 73.7 Favored 'General case' 0 C--N 1.392 2.417 0 C-N-CA 125.052 1.341 . . . . 0.0 110.791 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.0 -36.77 82.51 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 126.788 2.035 . . . . 0.0 111.557 175.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.88 94.17 Favored 'General case' 0 C--N 1.394 2.512 0 O-C-N 124.457 1.098 . . . . 0.0 112.014 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.12 -29.19 70.34 Favored 'General case' 0 C--N 1.394 2.53 0 C-N-CA 124.942 1.297 . . . . 0.0 113.486 173.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.9 t -66.69 -37.5 79.64 Favored 'Isoleucine or valine' 0 C--N 1.384 2.096 0 C-N-CA 124.956 1.302 . . . . 0.0 108.245 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -65.59 -19.6 65.98 Favored 'General case' 0 N--CA 1.51 2.543 0 C-N-CA 125.891 1.676 . . . . 0.0 111.929 174.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -77.24 -39.75 47.33 Favored 'General case' 0 C--N 1.383 2.026 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 172.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.43 30.96 2.71 Favored Glycine 0 C--N 1.383 3.177 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 171.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.91 114.83 27.13 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-O 121.923 0.868 . . . . 0.0 110.866 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.07 -25.57 61.83 Favored 'General case' 0 N--CA 1.502 2.131 0 CA-C-N 113.233 -1.803 . . . . 0.0 112.51 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.9 m -71.16 -37.85 72.21 Favored 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 125.307 1.443 . . . . 0.0 110.787 176.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -74.49 -23.0 58.79 Favored 'General case' 0 C--N 1.39 2.367 0 C-N-CA 124.275 1.03 . . . . 0.0 112.263 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.25 -46.88 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 126.39 1.876 . . . . 0.0 109.659 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.16 85.78 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 127.329 2.252 . . . . 0.0 112.486 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -46.13 86.71 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 126.132 1.773 . . . . 0.0 109.011 172.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.62 -41.98 98.23 Favored 'General case' 0 N--CA 1.511 2.585 0 O-C-N 124.711 1.257 . . . . 0.0 111.145 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.56 94.74 Favored 'General case' 0 N--CA 1.512 2.639 0 C-N-CA 125.183 1.393 . . . . 0.0 112.952 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.44 -38.08 77.66 Favored 'General case' 0 N--CA 1.52 3.049 0 C-N-CA 125.722 1.609 . . . . 0.0 111.31 176.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -69.92 -32.37 70.63 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 125.284 1.434 . . . . 0.0 110.244 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.96 -45.95 76.16 Favored 'General case' 0 CA--C 1.577 2.012 0 C-N-CA 124.87 1.268 . . . . 0.0 112.036 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.27 -39.79 82.06 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 125.09 1.356 . . . . 0.0 112.896 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.79 -36.37 80.34 Favored 'General case' 0 C--N 1.384 2.071 0 C-N-CA 125.984 1.713 . . . . 0.0 112.17 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -73.54 -28.03 61.66 Favored 'General case' 0 C--N 1.375 1.707 0 C-N-CA 123.553 0.741 . . . . 0.0 112.751 177.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 80' ' ' ALA . 15.3 mt -63.38 -45.88 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.411 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 175.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.6 -46.17 76.79 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 124.181 0.992 . . . . 0.0 112.672 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.28 -44.55 59.01 Favored 'General case' 0 C--N 1.381 1.961 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -176.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.0 mt -85.64 -45.71 11.45 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -175.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -64.99 -37.12 86.62 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 123.696 0.622 . . . . 0.0 112.491 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -76.94 -42.33 39.7 Favored 'General case' 0 CA--C 1.597 2.773 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -73.92 -31.58 63.14 Favored 'General case' 0 C--N 1.403 2.9 0 CA-C-N 118.411 0.551 . . . . 0.0 109.981 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.68 -23.48 53.19 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 125.417 1.487 . . . . 0.0 110.921 175.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.33 80.04 Favored 'General case' 0 C--N 1.416 3.499 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -176.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -80.38 -26.76 38.4 Favored 'General case' 0 N--CA 1.508 2.468 0 C-N-CA 124.376 1.07 . . . . 0.0 111.622 175.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.49 65.19 Favored 'General case' 0 CA--C 1.57 1.738 0 C-N-CA 124.599 1.16 . . . . 0.0 112.884 173.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.6 p -59.31 -11.61 4.41 Favored 'General case' 2 C--N 1.431 4.139 0 C-N-CA 125.613 1.565 . . . . 0.0 114.907 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.15 -60.37 2.06 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 127.233 2.213 . . . . 0.0 115.751 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -73.36 -10.15 59.44 Favored 'General case' 0 N--CA 1.505 2.291 0 CA-C-O 121.69 0.757 . . . . 0.0 109.771 178.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.507 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 22.0 ttt180 -62.74 -29.5 70.73 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 128.546 2.738 . . . . 0.0 114.837 177.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -107.56 4.16 25.72 Favored 'General case' 0 C--N 1.382 2.015 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 -168.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . 0.264 8.4 mt-10 -100.16 -71.29 0.71 Allowed 'General case' 0 N--CA 1.513 2.677 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -115.36 -14.52 11.62 Favored 'General case' 0 N--CA 1.523 3.22 0 CA-C-N 120.096 1.316 . . . . 0.0 111.68 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.507 ' HB3' ' HA ' ' A' ' 97' ' ' ARG . . . -79.17 -19.16 51.62 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 129.278 3.031 . . . . 0.0 112.17 175.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -61.82 -51.89 66.39 Favored 'General case' 0 CA--C 1.58 2.106 0 C-N-CA 125.402 1.481 . . . . 0.0 113.306 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.49 -35.91 19.7 Favored Pre-proline 0 N--CA 1.507 2.386 1 N-CA-C 121.849 4.018 . . . . 0.0 121.849 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -54.39 -24.64 36.05 Favored 'Trans proline' 1 C--N 1.45 5.872 0 CA-C-N 125.781 3.1 . . . . 0.0 116.745 -177.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -136.5 -89.0 0.25 Allowed Glycine 0 C--N 1.355 1.59 0 N-CA-C 107.442 -2.263 . . . . 0.0 107.442 177.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 164.86 -49.59 0.29 Allowed Glycine 0 C--N 1.352 1.451 0 N-CA-C 108.564 -1.814 . . . . 0.0 108.564 177.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -134.12 52.94 2.03 Favored 'General case' 0 CA--C 1.573 1.83 0 CA-C-N 113.127 -1.537 . . . . 0.0 109.731 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.58 -39.97 94.69 Favored 'General case' 0 N--CA 1.526 3.347 0 C-N-CA 124.694 1.197 . . . . 0.0 112.558 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -68.76 -33.87 74.62 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.405 1.882 . . . . 0.0 111.316 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.77 78.84 Favored 'General case' 0 C--N 1.383 2.038 0 C-N-CA 125.006 1.322 . . . . 0.0 110.909 173.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.702 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 5.1 mpt_? -72.49 -45.28 60.18 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 123.549 0.74 . . . . 0.0 110.54 175.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mp -60.42 -62.68 1.69 Allowed 'General case' 0 CA--C 1.592 2.585 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.79 -47.55 9.61 Favored 'General case' 0 C--N 1.383 2.037 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -175.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -71.95 -34.45 69.01 Favored 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.702 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 3.7 m-85 -69.83 -41.05 75.46 Favored 'General case' 0 C--N 1.395 2.552 0 CA-C-N 118.832 0.742 . . . . 0.0 111.847 178.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -68.55 -38.19 80.59 Favored 'General case' 0 C--N 1.394 2.507 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -64.15 -42.91 96.6 Favored 'General case' 0 N--CA 1.521 3.093 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -69.65 -37.39 76.72 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 124.419 1.088 . . . . 0.0 112.678 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -70.23 -34.38 72.8 Favored 'General case' 0 C--N 1.378 1.831 0 C-N-CA 124.891 1.277 . . . . 0.0 112.456 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -63.72 -41.75 98.02 Favored 'General case' 0 N--CA 1.51 2.532 0 C-N-CA 125.567 1.547 . . . . 0.0 114.376 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -72.93 -39.63 66.09 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.08 -32.66 72.32 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 123.588 0.555 . . . . 0.0 110.158 174.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -34.3 74.01 Favored 'General case' 0 C--N 1.382 1.994 0 C-N-CA 125.344 1.458 . . . . 0.0 112.316 175.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.35 85.35 Favored 'General case' 0 C--N 1.401 2.811 0 C-N-CA 124.948 1.299 . . . . 0.0 112.597 -178.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.5 mtt -65.87 -38.14 88.03 Favored 'General case' 0 C--N 1.391 2.382 0 O-C-N 124.892 1.37 . . . . 0.0 111.241 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -68.64 -38.29 80.37 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 125.378 1.471 . . . . 0.0 111.157 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -72.1 -42.33 66.26 Favored 'General case' 0 C--N 1.392 2.443 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.9 -41.96 70.57 Favored 'General case' 0 N--CA 1.512 2.642 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.9 -38.06 82.51 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 124.743 1.217 . . . . 0.0 113.058 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.527 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 2.1 tt0 -75.77 -26.21 57.16 Favored 'General case' 0 C--N 1.383 2.063 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -72.07 -52.75 15.37 Favored 'General case' 0 C--O 1.275 2.399 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -178.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.09 -39.34 75.62 Favored 'General case' 0 C--N 1.391 2.38 0 CA-C-N 113.769 -1.559 . . . . 0.0 113.98 -175.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -88.78 -11.49 44.76 Favored 'General case' 0 CA--C 1.583 2.222 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -65.65 -37.16 85.74 Favored 'General case' 0 N--CA 1.525 3.308 0 C-N-CA 124.427 1.091 . . . . 0.0 112.185 177.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -73.36 -11.4 60.47 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 125.59 1.556 . . . . 0.0 111.855 177.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -97.61 -21.49 17.02 Favored 'General case' 0 CA--C 1.584 2.287 0 C-N-CA 126.204 1.802 . . . . 0.0 108.878 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 65.29 38.72 5.71 Favored 'General case' 0 N--CA 1.534 3.732 0 C-N-CA 127.994 2.518 . . . . 0.0 111.857 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.559 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -83.54 129.19 60.98 Favored Pre-proline 0 CA--C 1.57 1.713 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.026 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.54 -8.45 8.99 Favored 'Trans proline' 1 C--N 1.426 4.64 0 C-N-CA 124.238 3.292 . . . . 0.0 112.873 171.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.4 OUTLIER -68.26 -15.21 63.48 Favored 'General case' 0 CA--C 1.576 1.96 0 C-N-CA 124.437 1.095 . . . . 0.0 113.069 178.414 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 138' ' ' ASP . 0.1 OUTLIER -75.05 -36.99 61.81 Favored 'General case' 0 N--CA 1.514 2.747 0 C-N-CA 123.932 0.893 . . . . 0.0 109.293 177.69 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.2 -37.13 69.32 Favored 'General case' 0 C--N 1.37 1.46 0 CA-C-N 114.268 -1.333 . . . . 0.0 111.62 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -71.56 -38.64 70.96 Favored 'General case' 0 CA--C 1.58 2.122 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 17.3 mt-10 -79.47 -45.97 18.37 Favored 'General case' 0 N--CA 1.509 2.482 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -176.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.429 ' O ' ' HB2' ' A' ' 149' ' ' ASP . 1.7 mp -67.83 -45.89 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 C-N-CA 126.504 1.921 . . . . 0.0 112.358 -178.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 93.5 m -61.75 -38.99 90.02 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 125.101 1.501 . . . . 0.0 110.723 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.94 97.04 Favored 'General case' 0 C--N 1.391 2.412 0 C-N-CA 123.868 0.867 . . . . 0.0 112.239 176.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.35 -29.65 59.98 Favored 'General case' 0 C--N 1.382 1.987 0 C-N-CA 124.987 1.315 . . . . 0.0 111.931 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 0.3 OUTLIER -70.89 -33.29 70.44 Favored 'General case' 0 C--N 1.389 2.323 0 C-N-CA 126.234 1.814 . . . . 0.0 112.314 179.517 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -76.13 -33.94 59.44 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 124.166 0.986 . . . . 0.0 108.945 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -71.56 -35.14 70.51 Favored 'General case' 0 C--N 1.389 2.307 0 C-N-CA 125.609 1.563 . . . . 0.0 112.48 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.75 -41.65 99.3 Favored 'General case' 0 C--N 1.38 1.904 0 C-N-CA 124.553 1.141 . . . . 0.0 109.95 174.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.5 p -77.15 -39.34 49.47 Favored 'General case' 0 CA--C 1.571 1.786 0 C-N-CA 123.951 0.9 . . . . 0.0 113.288 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -72.29 -33.68 67.61 Favored 'General case' 0 N--CA 1.516 2.837 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 89.2 m -72.4 -39.72 67.74 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 123.162 0.585 . . . . 0.0 110.537 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -60.88 -37.86 83.63 Favored 'General case' 0 C--N 1.394 2.502 0 C-N-CA 125.07 1.348 . . . . 0.0 112.757 177.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.1 m -71.88 -41.98 67.38 Favored 'General case' 0 CA--C 1.58 2.097 0 C-N-CA 125.061 1.345 . . . . 0.0 111.479 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.7 -39.22 84.4 Favored 'General case' 0 C--N 1.382 1.978 0 C-N-CA 125.898 1.679 . . . . 0.0 113.323 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 36.9 mt -68.32 -39.4 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.105 0 C-N-CA 126.033 1.733 . . . . 0.0 109.98 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.45 93.42 Favored 'General case' 0 C--N 1.39 2.365 0 C-N-CA 124.838 1.255 . . . . 0.0 113.479 176.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.79 -39.34 87.76 Favored 'General case' 0 N--CA 1.511 2.61 0 C-N-CA 125.299 1.44 . . . . 0.0 113.224 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 20.6 p -70.73 -31.63 68.54 Favored 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 124.248 1.019 . . . . 0.0 112.516 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.48 -34.3 72.22 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 125.33 1.452 . . . . 0.0 111.97 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.18 -36.04 80.93 Favored 'General case' 0 N--CA 1.51 2.567 0 C-N-CA 125.395 1.478 . . . . 0.0 112.247 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -68.91 -34.15 74.92 Favored 'General case' 0 C--N 1.376 1.734 0 C-N-CA 124.708 1.203 . . . . 0.0 110.726 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.1 mt -72.25 -31.44 65.81 Favored 'General case' 0 N--CA 1.507 2.419 0 C-N-CA 125.548 1.539 . . . . 0.0 112.08 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.74 -34.46 76.87 Favored 'General case' 0 N--CA 1.508 2.461 0 C-N-CA 126.354 1.861 . . . . 0.0 112.594 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -66.58 -37.08 84.18 Favored 'General case' 0 C--N 1.381 1.962 0 C-N-CA 127.654 2.382 . . . . 0.0 114.058 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -95.55 -1.06 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 CA-C-N 118.554 0.615 . . . . 0.0 111.662 -175.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . 0.258 0.8 OUTLIER 69.14 -8.55 0.68 Allowed 'General case' 0 C--N 1.387 2.211 0 C-N-CA 127.27 2.228 . . . . 0.0 111.35 -177.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 . . . . . 0 N--CA 1.506 2.37 0 CA-C-N 114.713 -1.131 . . . . 0.0 112.066 -177.253 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 mtt . . . . . 0 N--CA 1.499 2.017 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -114.44 131.34 56.64 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 124.261 1.025 . . . . 0.0 111.246 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -123.5 134.48 25.27 Favored Pre-proline 0 N--CA 1.498 1.971 0 C-N-CA 123.495 0.718 . . . . 0.0 111.733 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.75 -19.96 40.57 Favored 'Trans proline' 1 C--N 1.427 4.682 0 C-N-CA 123.216 2.611 . . . . 0.0 117.726 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -82.82 -33.62 27.15 Favored 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 123.822 0.849 . . . . 0.0 112.242 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.67 -35.8 52.0 Favored 'General case' 0 C--N 1.373 1.629 0 C-N-CA 125.138 1.375 . . . . 0.0 112.455 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -30.76 65.73 Favored 'General case' 0 C--N 1.381 1.966 0 C-N-CA 124.278 1.031 . . . . 0.0 110.447 178.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -67.63 -39.53 84.65 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 124.802 1.313 . . . . 0.0 111.766 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.0 m -71.39 -41.61 69.42 Favored 'General case' 0 C--N 1.386 2.153 0 C-N-CA 124.252 1.021 . . . . 0.0 110.757 176.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -44.58 83.54 Favored 'General case' 0 C--N 1.389 2.286 0 O-C-N 124.359 1.037 . . . . 0.0 112.29 173.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -65.91 -39.21 90.36 Favored 'General case' 0 C--N 1.399 2.727 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -69.48 -38.35 77.65 Favored 'General case' 0 C--N 1.376 1.742 0 CA-C-O 117.617 -1.182 . . . . 0.0 110.424 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -63.04 -29.16 70.61 Favored 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 124.039 0.936 . . . . 0.0 111.916 175.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.75 -46.05 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 C-N-CA 125.553 1.541 . . . . 0.0 111.207 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.457 ' HB1' HD21 ' A' ' 86' ' ' LEU . . . -69.46 -30.28 68.15 Favored 'General case' 0 N--CA 1.506 2.365 0 C-N-CA 123.379 0.672 . . . . 0.0 111.53 176.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.32 -39.76 89.49 Favored 'General case' 0 N--CA 1.51 2.548 0 C-N-CA 126.187 1.795 . . . . 0.0 110.574 171.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -34.46 68.11 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 124.522 1.129 . . . . 0.0 110.773 177.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -60.51 -43.55 96.95 Favored 'General case' 0 N--CA 1.503 2.191 0 C-N-CA 127.125 2.17 . . . . 0.0 111.856 178.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -78.14 -15.22 59.05 Favored 'General case' 0 N--CA 1.503 2.183 0 C-N-CA 125.124 1.37 . . . . 0.0 114.098 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -97.76 -16.42 19.88 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 125.433 1.493 . . . . 0.0 108.961 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.0 16.89 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.784 0 C-N-CA 125.977 1.711 . . . . 0.0 111.592 176.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.73 -76.58 0.29 Allowed Glycine 0 N--CA 1.497 2.719 0 CA-C-O 117.201 -1.888 . . . . 0.0 114.042 -173.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.03 -4.22 13.77 Favored 'Trans proline' 1 C--N 1.42 4.317 0 CA-C-N 121.481 2.64 . . . . 0.0 115.263 175.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mp -87.81 -6.39 58.16 Favored 'General case' 0 CA--C 1.577 1.992 0 C-N-CA 126.711 2.005 . . . . 0.0 112.605 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -65.36 -42.8 92.39 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 178.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 m -94.89 -33.62 12.74 Favored 'General case' 0 C--N 1.388 2.266 0 C-N-CA 123.686 0.794 . . . . 0.0 111.748 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -115.97 129.35 56.34 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 125.767 1.627 . . . . 0.0 112.3 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -88.25 121.99 31.28 Favored 'General case' 0 N--CA 1.506 2.329 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -128.09 166.7 17.94 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 125.626 1.57 . . . . 0.0 110.698 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -74.28 93.11 2.32 Favored 'General case' 0 CA--C 1.588 2.42 0 C-N-CA 124.52 1.128 . . . . 0.0 113.901 -178.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.93 120.06 37.89 Favored Pre-proline 0 C--N 1.38 1.897 0 CA-C-O 118.608 -0.71 . . . . 0.0 110.548 176.021 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.46 -28.45 83.67 Favored 'Trans proline' 1 C--N 1.434 5.053 0 C-N-CA 123.986 3.124 . . . . 0.0 115.889 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -108.58 25.6 11.51 Favored 'General case' 0 CA--C 1.578 2.05 0 C-N-CA 124.8 1.24 . . . . 0.0 113.203 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.19 106.29 4.33 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.76 98.05 4.86 Favored 'General case' 0 C--N 1.372 1.572 0 CA-C-O 121.97 0.891 . . . . 0.0 111.365 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -86.02 1.76 49.01 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-N 113.611 -1.631 . . . . 0.0 113.391 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -80.3 -24.59 39.88 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.594 1.158 . . . . 0.0 111.69 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -90.86 -4.19 56.77 Favored 'General case' 0 C--N 1.384 2.092 0 C-N-CA 124.858 1.263 . . . . 0.0 112.172 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -121.88 156.08 34.06 Favored 'General case' 0 C--N 1.377 1.765 0 C-N-CA 124.296 1.038 . . . . 0.0 113.268 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.4 113.59 19.01 Favored 'General case' 0 C--N 1.373 1.62 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.1 p -137.97 144.17 41.04 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.604 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -87.94 49.75 1.86 Allowed 'General case' 0 N--CA 1.508 2.46 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.75 -69.11 0.49 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 118.814 2.285 . . . . 0.0 118.814 169.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -176.08 60.5 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 119.25 1.525 . . . . 0.0 109.739 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -138.76 138.04 37.26 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.43 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 3.4 mp -68.32 -31.1 70.28 Favored 'General case' 0 N--CA 1.527 3.419 0 C-N-CA 124.257 1.023 . . . . 0.0 108.347 171.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.34 -35.02 87.36 Favored Glycine 0 C--N 1.383 3.168 0 C-N-CA 125.409 1.481 . . . . 0.0 113.866 176.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.29 -23.11 43.78 Favored 'General case' 0 C--N 1.392 2.438 0 C-N-CA 122.941 0.497 . . . . 0.0 112.243 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -81.52 -30.51 33.17 Favored 'General case' 0 C--N 1.384 2.091 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -75.66 -40.72 55.6 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 124.706 1.202 . . . . 0.0 112.463 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.79 -31.86 68.77 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 125.824 1.65 . . . . 0.0 112.87 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -80.5 -27.92 37.62 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 123.342 0.657 . . . . 0.0 109.833 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.11 -39.02 66.12 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 113.777 -1.556 . . . . 0.0 111.56 176.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -65.97 -40.3 91.13 Favored 'General case' 0 N--CA 1.509 2.477 0 C-N-CA 124.914 1.286 . . . . 0.0 111.372 175.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.12 -27.23 60.77 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 126.929 2.092 . . . . 0.0 113.668 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -30.16 41.7 Favored 'General case' 0 C--N 1.381 1.975 0 C-N-CA 123.365 0.666 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tp -71.23 -40.02 71.33 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 124.804 1.242 . . . . 0.0 110.49 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.5 p -70.96 -32.84 69.82 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 125.581 1.552 . . . . 0.0 113.992 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -75.91 -35.0 59.94 Favored 'General case' 0 N--CA 1.514 2.772 0 CA-C-N 119.306 0.957 . . . . 0.0 113.049 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.442 HD13 HD21 ' A' ' 75' ' ' LEU . 31.7 mt -67.31 -34.58 77.66 Favored 'General case' 0 N--CA 1.511 2.624 0 C-N-CA 125.108 1.363 . . . . 0.0 111.048 176.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -62.56 -34.75 77.57 Favored 'General case' 0 C--N 1.383 2.041 0 C-N-CA 126.893 2.077 . . . . 0.0 112.074 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.09 -40.02 90.45 Favored 'General case' 0 C--N 1.393 2.478 0 C-N-CA 123.954 0.901 . . . . 0.0 112.135 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.85 -27.87 69.46 Favored 'General case' 0 C--N 1.395 2.556 0 C-N-CA 124.731 1.213 . . . . 0.0 113.249 173.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -65.79 -39.14 83.94 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.953 0 C-N-CA 125.598 1.559 . . . . 0.0 108.954 175.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -68.03 -16.52 64.07 Favored 'General case' 0 N--CA 1.506 2.365 0 C-N-CA 126.111 1.764 . . . . 0.0 111.731 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -78.28 -39.96 38.43 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 171.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.17 27.36 4.54 Favored Glycine 0 C--N 1.38 3.017 0 N-CA-C 116.09 1.196 . . . . 0.0 116.09 170.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.74 113.9 23.85 Favored 'General case' 0 C--N 1.377 1.78 0 CA-C-N 118.22 1.01 . . . . 0.0 110.259 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.51 -29.36 65.84 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 112.758 -2.019 . . . . 0.0 112.863 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.2 m -70.61 -37.48 73.84 Favored 'General case' 0 CA--C 1.574 1.89 0 C-N-CA 124.816 1.246 . . . . 0.0 110.569 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -74.58 -20.98 59.72 Favored 'General case' 0 N--CA 1.507 2.409 0 C-N-CA 124.31 1.044 . . . . 0.0 111.876 178.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.5 t -77.42 -50.93 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 125.546 1.538 . . . . 0.0 109.869 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.42 82.16 Favored 'General case' 0 C--N 1.393 2.465 0 C-N-CA 127.545 2.338 . . . . 0.0 112.985 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.46 -42.31 99.38 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 125.564 1.546 . . . . 0.0 109.246 172.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.442 HD21 HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.49 -31.68 63.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 124.424 1.077 . . . . 0.0 112.034 176.583 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.71 95.66 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 124.603 1.161 . . . . 0.0 111.687 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -71.6 -36.83 70.96 Favored 'General case' 0 N--CA 1.518 2.943 0 C-N-CA 126.308 1.843 . . . . 0.0 111.095 176.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -71.22 -29.31 64.97 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 125.721 1.608 . . . . 0.0 110.359 173.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -43.09 66.33 Favored 'General case' 0 C--N 1.377 1.795 0 C-N-CA 124.123 0.969 . . . . 0.0 111.606 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.51 -39.83 81.09 Favored 'General case' 0 C--N 1.389 2.299 0 C-N-CA 125.328 1.451 . . . . 0.0 112.216 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.48 83.53 Favored 'General case' 0 C--N 1.39 2.327 0 C-N-CA 126.006 1.722 . . . . 0.0 111.639 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -73.74 -27.02 60.96 Favored 'General case' 0 C--N 1.377 1.78 0 C-N-CA 124.234 1.014 . . . . 0.0 112.285 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.554 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 34.8 mt -63.1 -45.59 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.398 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.43 -44.4 83.01 Favored 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 124.872 1.269 . . . . 0.0 112.196 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.42 -44.96 57.21 Favored 'General case' 0 C--N 1.379 1.864 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.457 HD21 ' HB1' ' A' ' 15' ' ' ALA . 91.1 mt -85.18 -45.45 12.02 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -175.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.554 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 28.8 mt-30 -64.75 -36.52 84.58 Favored 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 118.816 0.734 . . . . 0.0 112.38 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -78.41 -39.93 37.43 Favored 'General case' 0 CA--C 1.589 2.466 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -76.92 -29.25 55.6 Favored 'General case' 0 N--CA 1.514 2.75 0 CA-C-N 119.548 1.067 . . . . 0.0 109.686 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.18 -22.92 47.93 Favored 'General case' 0 C--N 1.387 2.202 0 C-N-CA 125.614 1.566 . . . . 0.0 110.432 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.34 97.12 Favored 'General case' 0 C--N 1.415 3.414 0 C-N-CA 122.99 0.516 . . . . 0.0 112.356 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.8 p -75.93 -28.89 58.15 Favored 'General case' 0 C--N 1.395 2.575 0 C-N-CA 124.436 1.094 . . . . 0.0 111.175 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.0 -36.06 72.11 Favored 'General case' 0 N--CA 1.512 2.647 0 C-N-CA 124.612 1.165 . . . . 0.0 113.637 174.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.8 p -75.9 -9.73 58.84 Favored 'General case' 0 N--CA 1.525 3.309 0 C-N-CA 124.266 1.026 . . . . 0.0 112.175 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 98' ' ' HIS . 7.1 tt -95.76 -23.42 16.96 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 127.474 2.309 . . . . 0.0 108.532 176.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -79.25 37.68 0.33 Allowed 'General case' 0 C--N 1.379 1.865 0 CA-C-O 123.505 1.621 . . . . 0.0 112.391 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.404 ' H ' ' C ' ' A' ' 95' ' ' LEU . 75.7 mtt180 -107.4 12.06 28.37 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 128.214 2.605 . . . . 0.0 105.252 174.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 95' ' ' LEU 0.282 3.1 t60 -94.64 -13.16 26.14 Favored 'General case' 0 C--N 1.368 1.392 0 CA-C-N 108.829 -3.805 . . . . 0.0 107.274 178.352 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' OE1' ' HB3' ' A' ' 101' ' ' ALA . 5.0 mt-10 -90.48 -179.7 5.64 Favored 'General case' 0 C--N 1.377 1.786 0 CA-C-N 110.114 -3.221 . . . . 0.0 117.354 -171.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.97 -39.05 3.29 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 128.219 2.608 . . . . 0.0 108.647 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.414 ' HB3' ' OE1' ' A' ' 99' ' ' GLU . . . -76.04 -27.39 57.29 Favored 'General case' 0 CA--C 1.572 1.821 0 C-N-CA 129.062 2.945 . . . . 0.0 116.819 -176.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.26 -47.18 10.32 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 118.714 2.857 . . . . 0.0 118.714 -172.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.7 mt -74.15 -23.04 0.5 Allowed Pre-proline 0 CA--C 1.589 2.477 0 N-CA-C 118.174 2.657 . . . . 0.0 118.174 -175.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . 0.281 31.3 Cg_endo -57.23 -12.56 10.48 Favored 'Trans proline' 1 C--N 1.451 5.962 1 N-CA-C 122.795 4.114 . . . . 0.0 122.795 -174.776 . . . . . . . . 4 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -89.17 -9.65 67.14 Favored Glycine 0 CA--C 1.541 1.662 0 CA-C-N 122.029 2.195 . . . . 0.0 112.987 174.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.36 -94.85 1.45 Allowed Glycine 0 C--N 1.393 3.696 0 N-CA-C 115.399 0.919 . . . . 0.0 115.399 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -101.23 41.44 1.19 Allowed 'General case' 0 CA--C 1.561 1.403 0 O-C-N 125.238 1.199 . . . . 0.0 112.134 -178.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.8 mt -71.14 -41.49 70.38 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 124.18 0.992 . . . . 0.0 110.192 177.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -66.16 -41.72 89.98 Favored 'General case' 0 C--N 1.373 1.607 0 C-N-CA 127.982 2.513 . . . . 0.0 110.77 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.11 -35.5 78.25 Favored 'General case' 0 C--N 1.382 2.019 0 C-N-CA 125.009 1.324 . . . . 0.0 112.431 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -72.16 -48.28 44.54 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 123.479 0.712 . . . . 0.0 111.42 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.2 mp -64.53 -58.86 5.21 Favored 'General case' 0 CA--C 1.588 2.421 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.28 -43.82 63.69 Favored 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 117.264 2.32 . . . . 0.0 117.264 -177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.84 -38.23 73.2 Favored 'General case' 0 N--CA 1.512 2.629 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -68.69 -39.43 80.56 Favored 'General case' 0 C--N 1.387 2.205 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.96 -42.67 84.78 Favored 'General case' 0 N--CA 1.506 2.36 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -71.71 -43.07 66.57 Favored 'General case' 0 N--CA 1.519 3.001 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -69.17 -36.95 77.92 Favored 'General case' 0 N--CA 1.506 2.368 0 C-N-CA 124.302 1.041 . . . . 0.0 113.687 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.64 -35.35 75.15 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.52 1.128 . . . . 0.0 112.648 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -62.96 -43.77 97.89 Favored 'General case' 0 N--CA 1.513 2.721 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -72.91 -39.96 65.9 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.62 -32.81 70.76 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 123.454 0.471 . . . . 0.0 110.565 173.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.9 mt -70.95 -33.01 70.06 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 124.557 1.143 . . . . 0.0 113.075 176.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.4 -38.92 91.39 Favored 'General case' 0 C--N 1.406 3.054 0 C-N-CA 125.591 1.557 . . . . 0.0 111.825 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 62.3 mtt -63.77 -39.63 94.72 Favored 'General case' 0 C--N 1.39 2.357 0 O-C-N 125.077 1.486 . . . . 0.0 110.422 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.21 -39.35 86.29 Favored 'General case' 0 C--N 1.39 2.341 0 C-N-CA 124.772 1.229 . . . . 0.0 110.553 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -66.69 -40.69 88.61 Favored 'General case' 0 N--CA 1.517 2.914 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.33 -40.09 85.87 Favored 'General case' 0 N--CA 1.51 2.574 0 C-N-CA 124.057 0.943 . . . . 0.0 111.811 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -71.31 -29.48 65.08 Favored 'General case' 0 C--N 1.384 2.101 0 C-N-CA 124.501 1.12 . . . . 0.0 111.909 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 21.2 mt-10 -63.54 -44.93 92.79 Favored 'General case' 0 N--CA 1.507 2.411 0 C-N-CA 125.484 1.514 . . . . 0.0 113.711 177.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -74.18 -44.46 53.37 Favored 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.89 -39.88 72.54 Favored 'General case' 0 C--N 1.389 2.315 0 CA-C-N 114.258 -1.337 . . . . 0.0 114.574 -173.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -90.29 -12.08 38.89 Favored 'General case' 0 CA--C 1.582 2.176 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -63.98 -39.76 94.87 Favored 'General case' 0 N--CA 1.52 3.052 0 C-N-CA 125.891 1.676 . . . . 0.0 113.646 175.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -83.05 -15.42 51.05 Favored 'General case' 0 N--CA 1.511 2.585 0 C-N-CA 126.402 1.881 . . . . 0.0 114.141 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -93.66 -17.35 23.34 Favored 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 125.75 1.62 . . . . 0.0 110.133 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.6 t60 61.84 82.71 0.17 Allowed 'General case' 0 C--N 1.397 2.634 0 C-N-CA 126.29 1.836 . . . . 0.0 107.107 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.17 120.35 28.29 Favored Pre-proline 0 CA--C 1.556 1.188 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -172.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.63 -10.53 29.07 Favored 'Trans proline' 1 C--N 1.426 4.644 0 C-N-CA 123.219 2.612 . . . . 0.0 110.941 167.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -62.68 -31.29 72.16 Favored 'General case' 0 C--N 1.392 2.442 0 C-N-CA 124.482 1.113 . . . . 0.0 111.282 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.55 -38.72 78.42 Favored 'General case' 0 N--CA 1.526 3.369 0 C-N-CA 126.22 1.808 . . . . 0.0 112.329 176.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.55 -39.65 67.3 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 113.093 -1.867 . . . . 0.0 110.765 -176.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -72.76 -39.93 66.42 Favored 'General case' 0 CA--C 1.581 2.141 0 C-N-CA 123.671 0.788 . . . . 0.0 112.924 175.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -77.94 -47.09 19.41 Favored 'General case' 0 N--CA 1.513 2.683 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 50.1 mt -69.43 -39.33 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.695 0 C-N-CA 124.855 1.262 . . . . 0.0 110.252 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 99.6 m -63.45 -39.59 94.89 Favored 'General case' 0 N--CA 1.508 2.464 0 C-N-CA 124.21 1.004 . . . . 0.0 110.675 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.57 95.77 Favored 'General case' 0 N--CA 1.51 2.54 0 C-N-CA 124.619 1.167 . . . . 0.0 112.62 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.93 -26.41 56.87 Favored 'General case' 0 C--N 1.38 1.905 0 C-N-CA 124.673 1.189 . . . . 0.0 111.7 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -32.81 73.78 Favored 'General case' 0 C--N 1.39 2.331 0 C-N-CA 126.431 1.892 . . . . 0.0 111.512 177.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -76.59 -35.87 57.87 Favored 'General case' 0 C--N 1.393 2.465 0 C-N-CA 124.771 1.229 . . . . 0.0 109.322 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -71.68 -32.8 68.25 Favored 'General case' 0 C--N 1.387 2.231 0 C-N-CA 125.433 1.493 . . . . 0.0 112.703 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -39.3 90.35 Favored 'General case' 0 C--N 1.383 2.053 0 C-N-CA 124.782 1.233 . . . . 0.0 109.554 174.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.6 p -77.3 -36.73 53.88 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 123.619 0.767 . . . . 0.0 112.833 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -73.99 -30.35 62.43 Favored 'General case' 0 N--CA 1.518 2.957 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.32 -37.93 68.8 Favored 'General case' 0 C--N 1.386 2.18 0 C-N-CA 123.931 0.893 . . . . 0.0 108.91 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -60.26 -39.34 86.44 Favored 'General case' 0 C--N 1.389 2.323 0 C-N-CA 125.926 1.691 . . . . 0.0 113.949 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 33.0 m -64.36 -39.22 93.46 Favored 'General case' 0 C--N 1.384 2.091 0 C-N-CA 126.056 1.742 . . . . 0.0 109.551 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.23 -37.87 78.24 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 125.651 1.58 . . . . 0.0 111.924 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 39.2 mt -69.26 -45.25 79.64 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.983 0 C-N-CA 125.945 1.698 . . . . 0.0 109.788 175.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.99 94.01 Favored 'General case' 0 C--N 1.394 2.523 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 176.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.05 -38.52 82.56 Favored 'General case' 0 N--CA 1.516 2.837 0 C-N-CA 124.804 1.242 . . . . 0.0 113.723 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.2 p -70.61 -31.38 68.34 Favored 'General case' 0 N--CA 1.512 2.644 0 C-N-CA 124.373 1.069 . . . . 0.0 112.353 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.29 -35.82 76.42 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 125.224 1.41 . . . . 0.0 111.771 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.25 -35.37 79.39 Favored 'General case' 0 N--CA 1.513 2.696 0 C-N-CA 125.462 1.505 . . . . 0.0 112.629 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.03 -32.21 71.57 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 124.856 1.262 . . . . 0.0 111.002 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.4 mt -76.89 -27.51 55.02 Favored 'General case' 0 C--N 1.382 1.99 0 C-N-CA 125.777 1.631 . . . . 0.0 111.961 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -70.42 -44.1 68.61 Favored 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 116.445 2.017 . . . . 0.0 116.445 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -92.53 -68.03 0.82 Allowed 'General case' 0 C--N 1.386 2.172 0 CA-C-N 118.832 0.742 . . . . 0.0 112.276 -175.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . 0.374 0.1 OUTLIER 78.55 -23.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.39 2.363 0 C-N-CA 125.695 1.598 . . . . 0.0 113.168 174.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 13.6 t -89.69 -15.57 32.31 Favored 'General case' 0 CA--C 1.574 1.871 0 C-N-CA 125.002 1.321 . . . . 0.0 109.855 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 . . . . . 0 N--CA 1.498 1.973 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.388 179.215 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo . . . . . 0 N--CA 1.522 3.172 0 N-CA-C 114.367 0.872 . . . . 0.0 114.367 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.0 -46.65 5.53 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 123.361 0.664 . . . . 0.0 112.184 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.0 -36.65 56.25 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 125.027 1.331 . . . . 0.0 112.432 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.27 -32.44 70.26 Favored 'General case' 0 C--N 1.378 1.836 0 C-N-CA 124.405 1.082 . . . . 0.0 111.179 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -69.0 -37.43 78.7 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 124.511 1.132 . . . . 0.0 111.507 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -72.23 -40.91 67.4 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 124.286 1.034 . . . . 0.0 110.949 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mt -58.76 -43.69 90.41 Favored 'General case' 0 C--N 1.388 2.282 0 O-C-N 124.294 0.997 . . . . 0.0 112.346 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -65.67 -39.55 91.44 Favored 'General case' 0 C--N 1.4 2.775 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -69.77 -37.29 76.34 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.991 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -61.98 -32.1 72.53 Favored 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 124.462 1.105 . . . . 0.0 111.769 175.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.4 t -75.31 -46.06 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 C-N-CA 125.336 1.455 . . . . 0.0 110.994 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.05 69.43 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 123.564 0.746 . . . . 0.0 111.54 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.62 93.19 Favored 'General case' 0 N--CA 1.514 2.733 0 C-N-CA 125.715 1.606 . . . . 0.0 110.998 171.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 mt -72.42 -37.21 68.68 Favored 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 124.336 1.055 . . . . 0.0 110.9 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -60.43 -40.64 91.79 Favored 'General case' 0 N--CA 1.5 2.071 0 C-N-CA 126.922 2.089 . . . . 0.0 112.232 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.18 -29.13 63.7 Favored 'General case' 0 N--CA 1.507 2.419 0 C-N-CA 123.455 0.702 . . . . 0.0 112.786 177.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mp -81.12 -18.32 46.85 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 125.897 1.679 . . . . 0.0 112.446 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.0 mt -114.74 15.24 8.07 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.476 0 C-N-CA 128.169 2.588 . . . . 0.0 107.818 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.0 -98.56 0.45 Allowed Glycine 0 C--N 1.361 1.925 0 CA-C-O 116.537 -2.257 . . . . 0.0 114.834 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -50.6 -14.24 1.09 Allowed 'Trans proline' 1 C--N 1.424 4.541 0 C-N-CA 124.434 3.423 . . . . 0.0 117.486 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mp -70.04 -37.52 75.6 Favored 'General case' 0 C--N 1.383 2.044 0 C-N-CA 124.755 1.222 . . . . 0.0 113.189 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.393 2.475 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -179.478 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 122.397 1.094 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -83.8 -2.46 56.39 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 112.94 -1.937 . . . . 0.0 113.788 -177.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -80.09 -30.97 39.31 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.587 0.755 . . . . 0.0 110.641 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -101.88 -2.26 30.29 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 123.992 0.917 . . . . 0.0 112.46 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.31 151.83 36.94 Favored 'General case' 0 C--N 1.382 1.997 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.49 106.7 10.38 Favored 'General case' 0 C--N 1.381 1.971 0 N-CA-C 106.301 -1.741 . . . . 0.0 106.301 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 0.1 OUTLIER 166.56 175.65 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 127.013 2.125 . . . . 0.0 108.296 -178.539 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -85.91 -41.17 15.17 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.41 81.27 0.09 OUTLIER Glycine 0 N--CA 1.509 3.56 0 N-CA-C 119.323 2.489 . . . . 0.0 119.323 172.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.35 17.84 1.53 Allowed 'General case' 0 C--N 1.372 1.544 0 CA-C-N 119.725 1.763 . . . . 0.0 106.774 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.593 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 75.5 ttt180 -157.37 153.84 27.95 Favored 'General case' 0 C--N 1.387 2.199 0 C-N-CA 126.365 1.866 . . . . 0.0 110.799 -174.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.18 -21.92 64.85 Favored 'General case' 0 N--CA 1.524 3.229 0 C-N-CA 123.894 0.878 . . . . 0.0 110.924 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.593 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -60.24 -40.44 97.35 Favored Glycine 0 C--N 1.382 3.116 0 N-CA-C 115.947 1.139 . . . . 0.0 115.947 -178.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.481 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 17.9 m-20 -77.83 -27.82 50.07 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 123.605 0.762 . . . . 0.0 112.962 -176.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -83.38 -28.1 29.16 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 114.718 -1.128 . . . . 0.0 110.231 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.4 HD22 HH22 ' A' ' 156' ' ' ARG . 3.6 mt -74.14 -36.45 64.13 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 124.962 1.305 . . . . 0.0 111.832 176.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -30.27 66.8 Favored 'General case' 0 C--N 1.371 1.543 0 C-N-CA 125.732 1.613 . . . . 0.0 111.322 176.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -81.61 -31.59 32.41 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 123.432 0.693 . . . . 0.0 109.796 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.36 -38.45 65.71 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 113.787 -1.551 . . . . 0.0 111.952 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -39.03 82.31 Favored 'General case' 0 CA--C 1.573 1.857 0 C-N-CA 124.447 1.099 . . . . 0.0 109.918 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.75 -27.17 61.87 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.903 1.681 . . . . 0.0 113.562 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.91 -31.66 40.18 Favored 'General case' 0 C--N 1.382 2.006 0 C-N-CA 123.946 0.898 . . . . 0.0 110.186 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.4 tp -71.35 -41.25 70.01 Favored 'General case' 0 C--N 1.382 2.002 0 C-N-CA 125.076 1.35 . . . . 0.0 110.065 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.4 p -71.95 -29.55 64.38 Favored 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 125.717 1.607 . . . . 0.0 113.593 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -76.87 -37.72 55.01 Favored 'General case' 0 N--CA 1.508 2.434 0 C-N-CA 123.603 0.761 . . . . 0.0 112.722 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.81 -31.96 68.88 Favored 'General case' 0 C--N 1.389 2.319 0 C-N-CA 124.753 1.221 . . . . 0.0 111.193 177.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -33.92 76.91 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 126.745 2.018 . . . . 0.0 111.785 176.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.35 -39.63 89.31 Favored 'General case' 0 C--N 1.393 2.49 0 O-C-N 124.025 0.828 . . . . 0.0 111.385 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.9 -28.01 68.62 Favored 'General case' 0 C--N 1.393 2.493 0 C-N-CA 125.093 1.357 . . . . 0.0 113.013 173.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.94 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.382 1.994 0 C-N-CA 125.564 1.546 . . . . 0.0 108.31 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -68.36 -13.47 62.3 Favored 'General case' 0 N--CA 1.507 2.385 0 C-N-CA 126.417 1.887 . . . . 0.0 112.308 174.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -81.12 -38.82 26.61 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 171.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.81 31.11 2.59 Favored Glycine 0 C--N 1.378 2.889 0 N-CA-C 116.355 1.302 . . . . 0.0 116.355 171.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.3 111.58 23.33 Favored 'General case' 0 C--N 1.376 1.719 0 CA-C-O 121.779 0.8 . . . . 0.0 109.562 178.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.68 -24.96 61.92 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.496 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.5 m -71.26 -37.67 71.91 Favored 'General case' 0 CA--C 1.571 1.77 0 C-N-CA 125.136 1.374 . . . . 0.0 110.4 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.71 -22.25 58.94 Favored 'General case' 0 C--N 1.391 2.381 0 C-N-CA 124.456 1.102 . . . . 0.0 111.998 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.3 t -75.81 -49.4 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 C-N-CA 126.215 1.806 . . . . 0.0 109.663 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.38 81.31 Favored 'General case' 0 C--N 1.384 2.097 0 C-N-CA 127.194 2.197 . . . . 0.0 112.718 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -64.14 -42.61 96.72 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 125.892 1.677 . . . . 0.0 109.924 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.44 -33.53 67.13 Favored 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 124.665 1.186 . . . . 0.0 110.711 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.04 94.61 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 124.489 1.116 . . . . 0.0 111.84 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.03 -38.08 72.58 Favored 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 126.202 1.801 . . . . 0.0 111.231 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.36 -29.45 64.98 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 125.366 1.466 . . . . 0.0 110.556 174.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.61 -42.14 64.81 Favored 'General case' 0 C--N 1.374 1.673 0 C-N-CA 123.942 0.897 . . . . 0.0 112.104 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.439 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.76 -40.17 79.9 Favored 'General case' 0 C--N 1.39 2.327 0 C-N-CA 125.205 1.402 . . . . 0.0 112.657 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.05 -37.94 84.94 Favored 'General case' 0 C--N 1.389 2.288 0 C-N-CA 126.085 1.754 . . . . 0.0 112.062 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -73.35 -27.29 61.42 Favored 'General case' 0 C--N 1.376 1.746 0 C-N-CA 124.229 1.011 . . . . 0.0 112.31 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 80' ' ' ALA . 26.5 mt -61.9 -46.17 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.454 0 C-N-CA 123.167 0.587 . . . . 0.0 109.88 174.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.5 mt-10 -66.56 -43.57 84.65 Favored 'General case' 0 N--CA 1.503 2.215 0 C-N-CA 124.884 1.274 . . . . 0.0 112.032 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.29 -44.48 59.11 Favored 'General case' 0 C--N 1.377 1.778 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 mp -85.93 -44.71 12.16 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 115.786 1.772 . . . . 0.0 115.786 -175.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 45.0 mt-30 -66.13 -39.07 89.6 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 123.905 0.753 . . . . 0.0 112.407 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.6 mtt180 -78.72 -39.57 36.04 Favored 'General case' 0 C--N 1.388 2.269 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.73 -31.71 65.17 Favored 'General case' 0 N--CA 1.513 2.709 0 CA-C-N 119.467 1.03 . . . . 0.0 110.511 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.17 -29.14 61.63 Favored 'General case' 0 C--N 1.388 2.255 0 C-N-CA 124.271 1.029 . . . . 0.0 109.926 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.34 -35.78 73.81 Favored 'General case' 0 C--N 1.41 3.205 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.4 p -85.02 -22.41 29.05 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 123.96 0.904 . . . . 0.0 110.602 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.98 -26.77 57.07 Favored 'General case' 0 C--N 1.387 2.234 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.723 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.14 -8.92 58.1 Favored 'General case' 0 C--N 1.392 2.454 0 C-N-CA 125.57 1.548 . . . . 0.0 113.126 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 N--CA 1.498 1.925 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 179.13 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 . . . . . 0 N--CA 1.504 2.241 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 79.7 mt -70.78 -32.91 70.18 Favored 'General case' 0 N--CA 1.509 2.496 0 C-N-CA 125.066 1.346 . . . . 0.0 111.069 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -69.97 -31.69 69.53 Favored 'General case' 0 C--N 1.376 1.755 0 C-N-CA 125.507 1.523 . . . . 0.0 110.0 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.07 89.1 Favored 'General case' 0 C--N 1.393 2.474 0 C-N-CA 125.568 1.547 . . . . 0.0 110.904 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -71.37 -50.02 36.39 Favored 'General case' 0 C--N 1.384 2.071 0 C-N-CA 124.463 1.105 . . . . 0.0 111.045 176.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.68 -60.94 3.04 Favored 'General case' 0 CA--C 1.593 2.621 0 O-C-N 124.518 1.136 . . . . 0.0 113.201 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -86.2 -52.03 5.91 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -175.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.21 -35.82 74.15 Favored 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -81.79 -22.09 37.35 Favored 'General case' 0 C--N 1.385 2.131 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -71.97 -25.84 62.02 Favored 'General case' 0 C--N 1.395 2.567 0 CA-C-N 118.196 0.453 . . . . 0.0 110.826 172.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -70.12 -42.46 72.61 Favored 'General case' 0 N--CA 1.512 2.65 0 C-N-CA 125.007 1.323 . . . . 0.0 112.139 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -68.04 -35.7 78.7 Favored 'General case' 0 C--N 1.391 2.382 0 C-N-CA 124.776 1.231 . . . . 0.0 112.73 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.34 -32.82 72.15 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 124.962 1.305 . . . . 0.0 111.692 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -64.49 -42.0 96.13 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 125.74 1.616 . . . . 0.0 112.781 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -72.58 -40.92 66.23 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.02 -33.18 72.88 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 118.039 0.381 . . . . 0.0 110.135 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.25 -32.23 68.49 Favored 'General case' 0 C--N 1.379 1.872 0 C-N-CA 125.101 1.36 . . . . 0.0 112.664 175.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.68 -37.24 79.42 Favored 'General case' 0 C--N 1.403 2.91 0 C-N-CA 125.123 1.369 . . . . 0.0 111.654 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.4 mtt -65.03 -38.34 90.57 Favored 'General case' 0 C--N 1.393 2.482 0 C-N-CA 125.399 1.48 . . . . 0.0 110.477 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -69.25 -38.98 78.73 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 124.998 1.319 . . . . 0.0 110.673 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -74.15 -46.6 41.32 Favored 'General case' 0 N--CA 1.51 2.556 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.17 -40.78 77.94 Favored 'General case' 0 N--CA 1.514 2.728 0 C-N-CA 124.548 1.139 . . . . 0.0 113.341 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.71 -34.72 76.13 Favored 'General case' 0 C--N 1.383 2.056 0 C-N-CA 124.265 1.026 . . . . 0.0 111.713 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 27.2 tt0 -70.9 -29.93 66.13 Favored 'General case' 0 C--N 1.384 2.089 0 CA-C-O 117.772 -1.109 . . . . 0.0 113.264 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -71.02 -49.43 45.14 Favored 'General case' 0 N--CA 1.51 2.574 0 CA-C-N 119.361 0.982 . . . . 0.0 113.592 -177.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -75.63 -32.98 60.45 Favored 'General case' 0 C--N 1.389 2.304 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.419 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.558 ' HB3' HD22 ' A' ' 141' ' ' LEU . 64.7 m-85 -88.14 -12.33 44.34 Favored 'General case' 0 CA--C 1.576 1.976 0 C-N-CA 124.318 1.047 . . . . 0.0 112.678 178.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -62.67 -33.76 75.71 Favored 'General case' 0 N--CA 1.522 3.171 0 C-N-CA 125.639 1.575 . . . . 0.0 110.504 174.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.25 -16.34 64.23 Favored 'General case' 0 N--CA 1.503 2.177 0 C-N-CA 125.618 1.567 . . . . 0.0 114.03 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -97.16 -28.98 13.86 Favored 'General case' 0 C--N 1.391 2.37 0 C-N-CA 124.401 1.08 . . . . 0.0 110.255 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 51.08 28.17 3.79 Favored 'General case' 0 N--CA 1.527 3.387 0 C-N-CA 128.392 2.677 . . . . 0.0 116.622 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.38 146.48 37.86 Favored Pre-proline 0 CA--C 1.584 2.274 0 CA-C-O 118.592 -0.718 . . . . 0.0 112.267 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -59.14 -11.29 12.41 Favored 'Trans proline' 1 C--N 1.427 4.68 0 C-N-CA 124.448 3.432 . . . . 0.0 118.081 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -70.29 -31.2 68.44 Favored 'General case' 0 N--CA 1.53 3.54 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -174.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 133' ' ' TYR . 0.0 OUTLIER -77.65 -29.96 51.91 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 126.364 1.866 . . . . 0.0 110.347 -179.297 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.12 -33.12 71.43 Favored 'General case' 0 C--N 1.391 2.402 0 C-N-CA 124.933 1.293 . . . . 0.0 109.813 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -71.49 -34.11 69.85 Favored 'General case' 0 CA--C 1.58 2.108 0 C-N-CA 123.733 0.813 . . . . 0.0 110.802 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.49 -43.79 65.9 Favored 'General case' 0 N--CA 1.516 2.871 0 C-N-CA 125.386 1.474 . . . . 0.0 114.72 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 141' ' ' LEU . 3.7 mt -69.14 -41.79 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.263 0 C-N-CA 125.238 1.415 . . . . 0.0 109.872 178.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.8 m -61.53 -39.85 92.54 Favored 'General case' 0 CA--C 1.587 2.375 0 C-N-CA 125.854 1.662 . . . . 0.0 111.405 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.18 94.69 Favored 'General case' 0 N--CA 1.51 2.573 0 C-N-CA 124.892 1.277 . . . . 0.0 112.693 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.4 mt -73.47 -28.6 62.02 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 125.049 1.34 . . . . 0.0 111.485 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -35.45 79.12 Favored 'General case' 0 C--N 1.389 2.314 0 C-N-CA 126.076 1.75 . . . . 0.0 112.548 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -75.78 -35.59 60.05 Favored 'General case' 0 C--N 1.387 2.205 0 C-N-CA 125.441 1.497 . . . . 0.0 110.369 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -71.12 -35.03 71.62 Favored 'General case' 0 C--N 1.386 2.177 0 C-N-CA 125.188 1.395 . . . . 0.0 112.713 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.16 -40.38 97.4 Favored 'General case' 0 C--N 1.381 1.964 0 C-N-CA 124.425 1.09 . . . . 0.0 109.962 174.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.73 -40.93 39.52 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 178.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -71.09 -37.59 72.41 Favored 'General case' 0 N--CA 1.511 2.591 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 98.5 m -73.29 -39.18 65.54 Favored 'General case' 0 C--N 1.375 1.709 0 C-N-CA 123.483 0.713 . . . . 0.0 112.443 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . 0.4 HH22 HD22 ' A' ' 50' ' ' LEU . 1.6 tmt_? -70.74 -39.75 73.15 Favored 'General case' 0 CA--C 1.581 2.152 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.7 m -71.67 -44.41 64.32 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 124.777 1.231 . . . . 0.0 112.863 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.41 87.39 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 125.162 1.385 . . . . 0.0 113.459 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 21.9 mt -71.8 -38.62 66.21 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.115 0 C-N-CA 125.268 1.427 . . . . 0.0 111.319 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.6 95.02 Favored 'General case' 0 C--N 1.39 2.335 0 C-N-CA 124.24 1.016 . . . . 0.0 113.408 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.3 -40.24 89.88 Favored 'General case' 0 N--CA 1.512 2.642 0 C-N-CA 125.103 1.361 . . . . 0.0 112.692 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.6 p -71.13 -31.19 67.44 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 124.184 0.994 . . . . 0.0 112.225 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -72.99 -31.37 64.47 Favored 'General case' 0 C--N 1.383 2.048 0 C-N-CA 124.828 1.251 . . . . 0.0 112.197 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.84 -39.18 83.89 Favored 'General case' 0 N--CA 1.513 2.696 0 C-N-CA 124.987 1.315 . . . . 0.0 112.946 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.39 -33.85 71.88 Favored 'General case' 0 C--N 1.377 1.776 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.577 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.1 mt -70.75 -29.29 65.5 Favored 'General case' 0 N--CA 1.505 2.288 0 C-N-CA 125.217 1.407 . . . . 0.0 111.686 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.64 -27.17 61.96 Favored 'General case' 0 C--N 1.38 1.929 0 C-N-CA 125.21 1.404 . . . . 0.0 112.701 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.38 1.934 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -177.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo . . . . . 0 N--CA 1.524 3.311 0 N-CA-C 117.215 1.967 . . . . 0.0 117.215 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.64 -35.57 65.31 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 124.147 0.979 . . . . 0.0 112.222 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.36 -35.04 58.9 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 125.748 1.619 . . . . 0.0 112.435 178.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.38 -31.37 65.51 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 123.892 0.877 . . . . 0.0 110.048 177.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -66.09 -38.29 87.9 Favored 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 124.956 1.303 . . . . 0.0 111.829 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.4 m -71.99 -40.9 68.23 Favored 'General case' 0 C--N 1.382 1.98 0 C-N-CA 124.472 1.109 . . . . 0.0 110.634 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mt -58.79 -43.31 90.46 Favored 'General case' 0 C--N 1.386 2.187 0 O-C-N 124.372 1.045 . . . . 0.0 112.412 173.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -66.0 -39.58 90.41 Favored 'General case' 0 C--N 1.399 2.741 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -69.97 -35.76 74.68 Favored 'General case' 0 C--N 1.38 1.917 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.567 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.31 -32.73 73.52 Favored 'General case' 0 N--CA 1.506 2.371 0 C-N-CA 124.375 1.07 . . . . 0.0 111.413 174.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.3 t -73.86 -44.81 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.379 0 C-N-CA 125.566 1.546 . . . . 0.0 110.691 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' HB1' HD21 ' A' ' 86' ' ' LEU . . . -69.19 -30.04 68.15 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 123.485 0.714 . . . . 0.0 111.337 175.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.86 93.3 Favored 'General case' 0 N--CA 1.514 2.747 0 C-N-CA 126.048 1.739 . . . . 0.0 110.446 172.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -36.15 72.07 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 125.23 1.412 . . . . 0.0 110.511 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -59.77 -43.45 94.34 Favored 'General case' 0 N--CA 1.501 2.125 0 C-N-CA 127.354 2.262 . . . . 0.0 111.948 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.95 -15.0 59.34 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 124.87 1.268 . . . . 0.0 114.31 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.76 -17.27 19.48 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 124.777 1.231 . . . . 0.0 109.228 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.55 14.91 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 127.162 2.185 . . . . 0.0 110.855 176.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.4 -77.44 0.32 Allowed Glycine 0 C--N 1.363 2.075 0 CA-C-O 116.628 -2.207 . . . . 0.0 114.458 -172.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -68.51 -2.57 9.45 Favored 'Trans proline' 0 C--N 1.411 3.859 0 CA-C-N 122.426 3.113 . . . . 0.0 115.739 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -9.32 51.55 Favored 'General case' 0 N--CA 1.507 2.386 0 C-N-CA 126.361 1.864 . . . . 0.0 112.046 178.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 2.181 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 178.488 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 122.142 0.972 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -83.45 6.27 20.78 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-N 113.552 -1.658 . . . . 0.0 114.235 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -79.7 -27.17 40.73 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.034 0.933 . . . . 0.0 110.741 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mt -95.28 -5.44 43.63 Favored 'General case' 0 C--N 1.389 2.292 0 O-C-N 123.897 0.748 . . . . 0.0 112.834 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.13 152.52 35.47 Favored 'General case' 0 C--N 1.383 2.032 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.41 105.77 9.69 Favored 'General case' 0 C--N 1.386 2.156 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.6 173.85 0.67 Allowed 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 113.143 -1.844 . . . . 0.0 109.768 -178.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -87.96 -41.17 13.33 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.73 80.05 0.1 OUTLIER Glycine 0 N--CA 1.506 3.305 0 N-CA-C 119.632 2.613 . . . . 0.0 119.632 170.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.89 20.69 2.85 Favored 'General case' 0 C--N 1.371 1.507 0 CA-C-N 119.598 1.699 . . . . 0.0 106.781 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.561 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 72.6 ttt180 -153.35 147.85 26.07 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.862 1.665 . . . . 0.0 110.519 -176.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -23.28 62.56 Favored 'General case' 0 N--CA 1.524 3.265 0 C-N-CA 123.843 0.857 . . . . 0.0 110.69 173.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.561 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -60.58 -40.57 98.03 Favored Glycine 0 C--N 1.38 2.98 0 C-N-CA 124.832 1.206 . . . . 0.0 115.933 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.65 -25.86 57.2 Favored 'General case' 0 N--CA 1.514 2.759 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -83.61 -30.03 27.26 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.083 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -74.45 -40.21 62.06 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 125.163 1.385 . . . . 0.0 112.547 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -30.85 70.2 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.309 1.444 . . . . 0.0 111.24 176.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -77.54 -30.05 52.59 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 123.413 0.685 . . . . 0.0 110.064 177.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.27 -39.43 68.38 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 114.014 -1.448 . . . . 0.0 111.777 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -65.75 -39.86 91.52 Favored 'General case' 0 N--CA 1.507 2.404 0 C-N-CA 125.064 1.346 . . . . 0.0 110.871 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.54 -26.06 61.61 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 126.884 2.074 . . . . 0.0 113.445 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.9 m -78.47 -31.59 47.96 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 123.558 0.743 . . . . 0.0 110.414 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.0 tp -71.47 -41.14 69.72 Favored 'General case' 0 C--N 1.384 2.089 0 C-N-CA 125.126 1.37 . . . . 0.0 110.447 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.9 p -71.79 -31.07 66.22 Favored 'General case' 0 N--CA 1.504 2.256 0 C-N-CA 125.632 1.573 . . . . 0.0 113.487 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -75.97 -37.03 59.03 Favored 'General case' 0 N--CA 1.51 2.534 0 C-N-CA 123.751 0.82 . . . . 0.0 113.107 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.87 -29.98 66.23 Favored 'General case' 0 C--N 1.387 2.216 0 C-N-CA 124.567 1.147 . . . . 0.0 111.343 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.5 -35.3 80.02 Favored 'General case' 0 N--CA 1.506 2.37 0 C-N-CA 126.7 2.0 . . . . 0.0 111.752 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.63 -40.07 92.14 Favored 'General case' 0 C--N 1.393 2.457 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.202 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.57 -27.44 68.96 Favored 'General case' 0 C--N 1.397 2.668 0 C-N-CA 125.039 1.335 . . . . 0.0 113.586 173.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.21 -39.22 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.785 0 C-N-CA 125.413 1.485 . . . . 0.0 108.913 175.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -70.66 -10.41 59.31 Favored 'General case' 0 N--CA 1.504 2.253 0 C-N-CA 125.58 1.552 . . . . 0.0 112.146 174.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -92.73 -8.85 42.66 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 125.485 1.514 . . . . 0.0 111.829 176.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.21 35.35 18.12 Favored Glycine 0 C--N 1.376 2.788 0 N-CA-C 117.511 1.764 . . . . 0.0 117.511 178.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.0 96.04 6.76 Favored 'General case' 0 C--N 1.371 1.502 0 CA-C-O 122.244 1.021 . . . . 0.0 108.532 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.39 -22.47 61.12 Favored 'General case' 0 N--CA 1.505 2.3 0 CA-C-N 113.201 -1.818 . . . . 0.0 112.303 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.3 m -70.4 -36.4 74.05 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 125.32 1.448 . . . . 0.0 109.776 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.84 -20.68 59.65 Favored 'General case' 0 C--N 1.392 2.432 0 C-N-CA 124.01 0.924 . . . . 0.0 111.655 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.7 t -75.06 -51.15 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 126.215 1.806 . . . . 0.0 109.794 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.67 80.77 Favored 'General case' 0 C--N 1.38 1.901 0 C-N-CA 126.833 2.053 . . . . 0.0 113.004 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -42.25 96.69 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 125.991 1.717 . . . . 0.0 110.633 174.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -37.65 64.31 Favored 'General case' 0 CA--C 1.571 1.76 0 O-C-N 124.504 1.128 . . . . 0.0 110.394 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.05 98.38 Favored 'General case' 0 N--CA 1.517 2.922 0 C-N-CA 124.107 0.963 . . . . 0.0 112.679 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.14 -38.26 69.27 Favored 'General case' 0 N--CA 1.514 2.756 0 C-N-CA 125.658 1.583 . . . . 0.0 111.713 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.29 -29.82 64.23 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 125.373 1.469 . . . . 0.0 111.367 175.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -70.87 -47.99 56.23 Favored 'General case' 0 C--N 1.37 1.482 0 CA-C-O 117.738 -1.125 . . . . 0.0 112.921 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' ' 83' ' ' ILE . . . -69.48 -35.74 75.88 Favored 'General case' 0 C--N 1.384 2.082 0 C-N-CA 124.492 1.117 . . . . 0.0 112.876 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.66 86.8 Favored 'General case' 0 C--N 1.387 2.199 0 C-N-CA 125.151 1.38 . . . . 0.0 110.836 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -74.48 -27.58 60.64 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 124.154 0.982 . . . . 0.0 112.646 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -63.2 -42.79 97.78 Favored 'Isoleucine or valine' 0 C--N 1.39 2.348 0 CA-C-N 118.516 0.598 . . . . 0.0 110.567 177.347 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 3.2 mt-10 -68.34 -44.35 75.49 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 125.648 1.579 . . . . 0.0 111.998 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.3 54.49 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -176.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.454 HD21 ' HB1' ' A' ' 15' ' ' ALA . 65.2 mt -86.16 -45.27 11.5 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 -175.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 69.3 mt-30 -65.72 -39.03 90.75 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 123.774 0.671 . . . . 0.0 111.803 178.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.6 mtt180 -78.16 -39.0 42.3 Favored 'General case' 0 C--N 1.389 2.295 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.79 -33.07 68.28 Favored 'General case' 0 N--CA 1.517 2.92 0 CA-C-N 119.829 1.195 . . . . 0.0 110.463 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.16 -30.19 62.14 Favored 'General case' 0 C--N 1.386 2.16 0 C-N-CA 124.179 0.992 . . . . 0.0 110.354 175.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.48 -34.68 76.35 Favored 'General case' 0 C--N 1.409 3.161 0 C-N-CA 124.607 1.163 . . . . 0.0 113.79 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.0 p -84.18 -21.47 31.28 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.241 1.017 . . . . 0.0 110.484 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.98 -28.2 60.46 Favored 'General case' 0 C--N 1.389 2.299 0 CA-C-N 114.293 -1.321 . . . . 0.0 112.24 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.93 -8.23 58.69 Favored 'General case' 0 C--N 1.395 2.584 0 C-N-CA 124.871 1.268 . . . . 0.0 111.934 177.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.497 1.904 0 C-N-CA 124.948 1.299 . . . . 0.0 114.467 -178.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 119.642 -0.218 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.31 -40.69 67.3 Favored 'General case' 0 C--N 1.379 1.89 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -69.29 -33.43 73.18 Favored 'General case' 0 C--N 1.383 2.058 0 C-N-CA 124.363 1.065 . . . . 0.0 111.543 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.2 -36.71 83.77 Favored 'General case' 0 C--N 1.386 2.177 0 C-N-CA 125.485 1.514 . . . . 0.0 110.862 173.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.566 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 1.8 mpt_? -74.83 -49.61 20.04 Favored 'General case' 0 C--N 1.373 1.629 0 C-N-CA 123.852 0.861 . . . . 0.0 111.424 176.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.76 -60.86 2.76 Favored 'General case' 0 CA--C 1.6 2.901 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.16 -42.57 23.19 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 116.917 2.192 . . . . 0.0 116.917 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.51 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 39.6 mt-10 -72.5 -31.68 65.56 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.566 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 2.4 m-85 -68.31 -38.13 81.29 Favored 'General case' 0 C--N 1.39 2.351 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.057 176.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.84 -38.02 82.65 Favored 'General case' 0 C--N 1.391 2.389 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.44 -42.43 78.85 Favored 'General case' 0 N--CA 1.52 3.061 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -72.01 -34.12 68.6 Favored 'General case' 0 N--CA 1.504 2.268 0 C-N-CA 124.106 0.962 . . . . 0.0 112.556 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 34.2 mt-10 -76.7 -18.92 58.24 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 124.392 1.077 . . . . 0.0 111.911 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -70.25 -50.69 37.18 Favored 'General case' 0 C--N 1.389 2.297 0 C-N-CA 125.256 1.422 . . . . 0.0 112.78 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -72.26 -38.5 68.84 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 152' ' ' LEU . 14.9 mt -60.5 -33.39 72.55 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 123.537 0.523 . . . . 0.0 110.523 174.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -71.23 -33.5 69.92 Favored 'General case' 0 C--N 1.381 1.966 0 C-N-CA 124.684 1.194 . . . . 0.0 111.932 176.172 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.92 -39.47 90.59 Favored 'General case' 0 C--N 1.41 3.196 0 C-N-CA 125.657 1.583 . . . . 0.0 112.369 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.7 mtt -63.46 -40.15 96.37 Favored 'General case' 0 C--N 1.392 2.429 0 O-C-N 124.819 1.325 . . . . 0.0 110.496 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -68.1 -38.56 82.45 Favored 'General case' 0 C--N 1.385 2.119 0 C-N-CA 124.87 1.268 . . . . 0.0 110.365 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -63.43 -37.74 88.46 Favored 'General case' 0 C--N 1.402 2.872 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.52 -39.89 85.08 Favored 'General case' 0 N--CA 1.506 2.345 0 C-N-CA 124.324 1.049 . . . . 0.0 111.054 176.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -74.22 -26.05 60.03 Favored 'General case' 0 C--N 1.383 2.058 0 C-N-CA 124.761 1.224 . . . . 0.0 112.645 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -69.18 -37.17 78.03 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 125.54 1.536 . . . . 0.0 111.539 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -66.58 -38.52 87.22 Favored 'General case' 0 C--N 1.386 2.175 0 C-N-CA 124.947 1.299 . . . . 0.0 110.669 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.71 -35.88 75.42 Favored 'General case' 0 C--N 1.389 2.285 0 C-N-CA 124.958 1.303 . . . . 0.0 111.791 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -68.56 -36.77 79.22 Favored 'General case' 0 C--N 1.392 2.416 0 C-N-CA 125.277 1.431 . . . . 0.0 111.854 177.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.46 90.65 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 125.221 1.408 . . . . 0.0 113.528 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -90.58 -38.88 12.87 Favored 'General case' 0 C--N 1.386 2.173 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -106.93 -30.24 8.98 Favored 'General case' 0 C--N 1.393 2.469 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -174.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 55.8 26.14 9.23 Favored 'General case' 0 N--CA 1.53 3.53 0 C-N-CA 127.53 2.332 . . . . 0.0 116.472 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.82 141.25 68.11 Favored Pre-proline 0 N--CA 1.5 2.063 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.44 -13.87 31.68 Favored 'Trans proline' 1 C--N 1.432 4.933 0 C-N-CA 124.073 3.182 . . . . 0.0 116.728 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -69.03 -37.66 78.75 Favored 'General case' 0 N--CA 1.527 3.408 0 C-N-CA 124.381 1.072 . . . . 0.0 113.321 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.92 -29.51 50.09 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 126.607 1.963 . . . . 0.0 110.069 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.24 -36.77 77.51 Favored 'General case' 0 C--N 1.379 1.878 0 C-N-CA 126.757 2.023 . . . . 0.0 110.233 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.24 -34.12 72.47 Favored 'General case' 0 C--N 1.379 1.886 0 C-N-CA 124.139 0.976 . . . . 0.0 110.601 173.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.25 -42.09 66.03 Favored 'General case' 0 N--CA 1.512 2.634 0 C-N-CA 125.226 1.41 . . . . 0.0 114.424 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.9 mt -66.63 -43.46 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.334 0 C-N-CA 125.1 1.36 . . . . 0.0 108.813 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.4 m -62.64 -41.55 99.09 Favored 'General case' 0 CA--C 1.59 2.486 0 C-N-CA 126.154 1.781 . . . . 0.0 111.432 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.73 95.37 Favored 'General case' 0 N--CA 1.513 2.693 0 C-N-CA 124.677 1.191 . . . . 0.0 112.467 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.26 -26.44 58.81 Favored 'General case' 0 C--N 1.381 1.96 0 C-N-CA 124.705 1.202 . . . . 0.0 111.886 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -37.86 89.04 Favored 'General case' 0 C--N 1.391 2.398 0 C-N-CA 126.249 1.82 . . . . 0.0 112.286 177.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -75.41 -35.09 61.07 Favored 'General case' 0 C--N 1.39 2.367 0 C-N-CA 124.897 1.279 . . . . 0.0 110.149 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -70.68 -34.21 71.75 Favored 'General case' 0 C--N 1.388 2.24 0 C-N-CA 125.406 1.482 . . . . 0.0 112.592 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -63.94 -39.35 93.96 Favored 'General case' 0 C--N 1.379 1.866 0 C-N-CA 124.711 1.204 . . . . 0.0 109.851 175.106 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.7 p -76.29 -38.91 55.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.156 0.91 . . . . 0.0 112.658 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -71.28 -35.19 71.25 Favored 'General case' 0 N--CA 1.511 2.578 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 83.4 m -72.08 -39.38 69.02 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 123.739 0.816 . . . . 0.0 112.41 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -29.67 69.91 Favored 'General case' 0 N--CA 1.51 2.527 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.64 -42.31 35.27 Favored 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 123.527 0.731 . . . . 0.0 112.287 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.15 -36.88 75.04 Favored 'General case' 0 C--N 1.379 1.85 0 C-N-CA 125.365 1.466 . . . . 0.0 113.075 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 33.8 mt -70.11 -40.13 77.94 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.85 0 C-N-CA 125.448 1.499 . . . . 0.0 110.6 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.84 96.97 Favored 'General case' 0 C--N 1.393 2.479 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.53 -40.53 76.85 Favored 'General case' 0 N--CA 1.514 2.762 0 C-N-CA 124.903 1.281 . . . . 0.0 114.044 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.2 p -70.93 -36.16 72.52 Favored 'General case' 0 N--CA 1.51 2.544 0 C-N-CA 124.303 1.041 . . . . 0.0 112.499 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -72.21 -32.6 66.92 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 124.536 1.134 . . . . 0.0 111.964 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -66.35 -37.32 85.06 Favored 'General case' 0 N--CA 1.51 2.538 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.58 -36.07 73.38 Favored 'General case' 0 C--N 1.372 1.545 0 O-C-N 124.57 1.169 . . . . 0.0 110.581 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.3 mt -74.7 -31.74 61.96 Favored 'General case' 0 C--N 1.39 2.366 0 C-N-CA 126.085 1.754 . . . . 0.0 112.651 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -72.41 -29.63 63.9 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 125.302 1.441 . . . . 0.0 113.169 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.382 2.008 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -177.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo . . . . . 0 N--CA 1.528 3.503 0 N-CA-C 117.528 2.088 . . . . 0.0 117.528 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mt -81.48 -34.11 31.54 Favored 'General case' 0 N--CA 1.507 2.41 0 CA-C-N 119.001 0.818 . . . . 0.0 111.911 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.5 -36.57 52.47 Favored 'General case' 0 C--N 1.374 1.665 0 C-N-CA 125.356 1.462 . . . . 0.0 112.555 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -29.8 65.47 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 124.009 0.924 . . . . 0.0 110.309 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -67.13 -37.98 84.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 124.517 1.136 . . . . 0.0 111.545 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.4 m -71.53 -41.19 69.48 Favored 'General case' 0 C--N 1.387 2.224 0 C-N-CA 124.259 1.024 . . . . 0.0 110.679 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.91 -43.86 86.44 Favored 'General case' 0 C--N 1.389 2.31 0 O-C-N 124.388 1.055 . . . . 0.0 111.703 172.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -65.12 -41.74 94.58 Favored 'General case' 0 C--N 1.396 2.63 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 m -67.91 -39.67 83.52 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.631 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.25 -32.55 72.36 Favored 'General case' 0 N--CA 1.504 2.243 0 C-N-CA 124.851 1.26 . . . . 0.0 111.89 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.54 -46.61 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.283 0 C-N-CA 125.162 1.385 . . . . 0.0 111.168 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 -32.34 72.28 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 123.835 0.854 . . . . 0.0 111.531 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.45 92.22 Favored 'General case' 0 N--CA 1.51 2.555 0 C-N-CA 125.647 1.579 . . . . 0.0 111.483 172.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.39 -37.21 66.05 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 124.1 0.96 . . . . 0.0 111.104 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -60.95 -39.02 87.91 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 126.906 2.082 . . . . 0.0 112.09 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.01 -32.35 70.48 Favored 'General case' 0 N--CA 1.509 2.482 0 C-N-CA 123.487 0.715 . . . . 0.0 112.282 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mp -80.24 -22.17 42.04 Favored 'General case' 0 N--CA 1.504 2.259 0 C-N-CA 125.982 1.713 . . . . 0.0 112.831 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.1 mt -109.29 15.3 8.12 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.66 0 C-N-CA 127.514 2.326 . . . . 0.0 108.758 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.87 -75.44 0.67 Allowed Glycine 0 N--CA 1.502 3.083 0 CA-C-O 117.935 -1.481 . . . . 0.0 115.718 -174.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.33 -7.8 15.02 Favored 'Trans proline' 0 C--N 1.412 3.917 0 C-N-CA 123.687 2.925 . . . . 0.0 117.405 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.21 -61.95 1.62 Allowed 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 126.303 1.841 . . . . 0.0 113.043 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.444 0 CA-C-N 120.051 1.296 . . . . 0.0 113.797 179.758 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 122.232 1.015 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -80.68 -10.0 59.76 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 113.37 -1.741 . . . . 0.0 114.024 -175.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -80.69 -28.05 36.84 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 123.339 0.656 . . . . 0.0 111.291 -177.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mt -101.2 -4.33 27.39 Favored 'General case' 0 C--N 1.388 2.254 0 O-C-N 123.559 0.537 . . . . 0.0 112.305 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -118.83 153.4 34.56 Favored 'General case' 0 C--N 1.383 2.056 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.3 109.86 14.47 Favored 'General case' 0 C--N 1.382 2.006 0 N-CA-C 104.766 -2.309 . . . . 0.0 104.766 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.9 p -146.15 147.97 32.08 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.209 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -85.22 -34.91 21.91 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 114.183 -1.371 . . . . 0.0 110.181 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.67 87.88 2.01 Favored Glycine 0 C--N 1.381 3.054 0 CA-C-O 118.163 -1.354 . . . . 0.0 113.457 175.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -126.55 -75.42 0.58 Allowed 'General case' 0 C--N 1.372 1.555 0 N-CA-C 105.58 -2.008 . . . . 0.0 105.58 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -148.09 -167.98 2.95 Favored 'General case' 0 N--CA 1.509 2.491 0 CA-C-N 112.53 -2.123 . . . . 0.0 111.22 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -17.86 63.65 Favored 'General case' 0 C--N 1.413 3.354 0 C-N-CA 124.555 1.142 . . . . 0.0 109.838 173.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.72 -37.56 77.58 Favored Glycine 0 C--N 1.388 3.434 0 C-N-CA 125.585 1.565 . . . . 0.0 114.036 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.43 -22.49 59.11 Favored 'General case' 0 N--CA 1.524 3.236 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -83.34 -30.85 27.14 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.27 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -75.24 -36.89 61.25 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 125.181 1.393 . . . . 0.0 111.745 175.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -36.48 78.26 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.995 1.318 . . . . 0.0 111.625 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.27 -31.72 60.84 Favored 'General case' 0 C--N 1.381 1.953 0 C-N-CA 123.734 0.814 . . . . 0.0 111.502 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.41 -40.54 70.43 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-N 113.874 -1.512 . . . . 0.0 111.311 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -36.84 79.92 Favored 'General case' 0 CA--C 1.576 1.976 0 C-N-CA 124.612 1.165 . . . . 0.0 110.298 175.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.4 -25.34 62.3 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 125.758 1.623 . . . . 0.0 112.55 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.3 m -78.52 -30.99 47.38 Favored 'General case' 0 C--N 1.383 2.063 0 C-N-CA 124.038 0.935 . . . . 0.0 110.253 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -42.93 65.48 Favored 'General case' 0 C--N 1.387 2.22 0 C-N-CA 124.278 1.031 . . . . 0.0 110.805 176.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.2 p -70.04 -31.79 69.59 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 126.255 1.822 . . . . 0.0 113.214 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -76.63 -35.37 58.09 Favored 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 123.602 0.761 . . . . 0.0 112.281 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.4 -30.97 66.72 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 124.812 1.245 . . . . 0.0 111.495 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.23 -37.15 86.36 Favored 'General case' 0 N--CA 1.504 2.265 0 C-N-CA 126.668 1.987 . . . . 0.0 111.79 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.44 -38.76 88.12 Favored 'General case' 0 C--N 1.39 2.353 0 O-C-N 124.258 0.974 . . . . 0.0 111.206 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.3 -29.17 70.26 Favored 'General case' 0 C--N 1.392 2.416 0 C-N-CA 125.209 1.404 . . . . 0.0 113.4 173.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.32 -39.85 87.0 Favored 'Isoleucine or valine' 0 C--N 1.389 2.313 0 C-N-CA 125.038 1.335 . . . . 0.0 108.637 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -64.42 -24.29 67.58 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 126.568 1.947 . . . . 0.0 111.688 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -71.82 -39.79 69.57 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 171.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.49 34.04 1.99 Allowed Glycine 0 C--N 1.382 3.124 0 N-CA-C 116.192 1.237 . . . . 0.0 116.192 171.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.78 111.5 23.45 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-O 121.855 0.836 . . . . 0.0 110.184 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.59 -25.25 62.11 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 113.435 -1.711 . . . . 0.0 112.512 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.9 m -70.88 -37.04 73.01 Favored 'General case' 0 CA--C 1.573 1.843 0 C-N-CA 125.374 1.469 . . . . 0.0 110.711 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -75.09 -22.6 58.17 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 123.891 0.876 . . . . 0.0 112.017 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -75.83 -48.98 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 C-N-CA 126.692 1.997 . . . . 0.0 109.701 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.44 82.93 Favored 'General case' 0 C--N 1.383 2.042 0 C-N-CA 127.087 2.155 . . . . 0.0 112.571 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -45.86 91.47 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 125.254 1.422 . . . . 0.0 109.062 172.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.69 -40.01 94.64 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 125.034 1.459 . . . . 0.0 111.249 175.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.43 98.07 Favored 'General case' 0 N--CA 1.514 2.754 0 C-N-CA 124.861 1.264 . . . . 0.0 112.587 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -70.78 -36.1 72.88 Favored 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 126.184 1.794 . . . . 0.0 111.08 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -70.38 -30.12 66.95 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 125.623 1.569 . . . . 0.0 110.289 173.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -44.65 66.0 Favored 'General case' 0 CA--C 1.573 1.857 0 C-N-CA 124.986 1.314 . . . . 0.0 111.657 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.412 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -67.72 -40.3 84.24 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 125.016 1.326 . . . . 0.0 112.677 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.79 85.71 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 126.281 1.832 . . . . 0.0 112.149 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -73.78 -27.92 61.39 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 123.842 0.857 . . . . 0.0 112.901 177.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.554 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 33.5 mt -62.49 -46.38 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 123.469 0.481 . . . . 0.0 109.756 175.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.3 mt-10 -66.44 -44.67 82.22 Favored 'General case' 0 N--CA 1.502 2.159 0 C-N-CA 124.755 1.222 . . . . 0.0 112.37 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.38 -46.93 46.09 Favored 'General case' 0 C--N 1.377 1.771 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -176.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.1 mt -85.84 -42.09 14.45 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -174.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.554 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 22.1 mt-30 -66.63 -39.93 88.51 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 123.922 0.764 . . . . 0.0 111.624 178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 2.0 mtp180 -79.83 -41.3 26.68 Favored 'General case' 0 C--N 1.389 2.307 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -70.93 -34.7 71.75 Favored 'General case' 0 N--CA 1.515 2.775 0 CA-C-N 119.265 0.939 . . . . 0.0 111.274 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.66 -28.13 60.72 Favored 'General case' 0 CA--C 1.576 1.942 0 C-N-CA 123.665 0.786 . . . . 0.0 110.089 174.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.28 -37.2 74.79 Favored 'General case' 0 C--N 1.414 3.37 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -85.51 -23.33 27.78 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 124.38 1.072 . . . . 0.0 110.767 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.45 -29.74 59.75 Favored 'General case' 0 C--N 1.387 2.197 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.491 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.4 p -79.2 -8.53 59.09 Favored 'General case' 0 C--N 1.392 2.418 0 C-N-CA 124.99 1.316 . . . . 0.0 113.118 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.775 0 C-N-CA 124.87 1.268 . . . . 0.0 114.102 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 . . . . . 0 CA--C 1.571 1.765 0 N-CA-C 112.26 0.466 . . . . 0.0 112.26 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.4 mt -72.15 -37.11 69.48 Favored 'General case' 0 N--CA 1.517 2.905 0 C-N-CA 123.358 0.663 . . . . 0.0 111.083 176.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -70.81 -27.78 64.14 Favored 'General case' 0 C--N 1.384 2.096 0 C-N-CA 125.143 1.377 . . . . 0.0 109.45 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.98 -32.76 72.56 Favored 'General case' 0 C--N 1.391 2.406 0 C-N-CA 126.054 1.742 . . . . 0.0 110.97 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 6.6 mpt_? -73.43 -48.36 34.36 Favored 'General case' 0 C--N 1.393 2.493 0 C-N-CA 123.611 0.764 . . . . 0.0 109.257 176.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.14 -62.02 2.13 Favored 'General case' 0 CA--C 1.599 2.834 0 O-C-N 124.533 1.145 . . . . 0.0 113.255 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.34 -49.56 7.16 Favored 'General case' 0 C--N 1.383 2.04 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -175.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.92 -35.82 72.42 Favored 'General case' 0 N--CA 1.51 2.551 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.582 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 7.5 m-85 -70.97 -37.88 72.77 Favored 'General case' 0 C--N 1.392 2.431 0 CA-C-N 118.541 0.61 . . . . 0.0 111.89 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -67.92 -35.61 78.74 Favored 'General case' 0 C--N 1.397 2.634 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 176.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.11 -43.42 98.52 Favored 'General case' 0 N--CA 1.525 3.287 0 C-N-CA 124.904 1.281 . . . . 0.0 114.313 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -68.45 -35.81 78.11 Favored 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 124.381 1.072 . . . . 0.0 112.331 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -68.7 -35.68 77.48 Favored 'General case' 0 C--N 1.378 1.82 0 C-N-CA 124.856 1.262 . . . . 0.0 112.384 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -63.1 -41.81 99.47 Favored 'General case' 0 N--CA 1.507 2.392 0 C-N-CA 125.313 1.445 . . . . 0.0 114.389 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -73.24 -40.65 64.48 Favored 'General case' 0 N--CA 1.508 2.46 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.64 -33.5 71.6 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 123.422 0.451 . . . . 0.0 110.362 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.05 -33.83 70.65 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 125.289 1.436 . . . . 0.0 113.27 176.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.14 86.35 Favored 'General case' 0 C--N 1.399 2.754 0 C-N-CA 124.854 1.262 . . . . 0.0 111.667 -178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.0 mtt -65.73 -38.24 88.61 Favored 'General case' 0 C--N 1.391 2.395 0 CA-C-N 113.628 -1.624 . . . . 0.0 110.885 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -69.55 -38.46 77.46 Favored 'General case' 0 C--N 1.382 2.004 0 C-N-CA 124.642 1.177 . . . . 0.0 111.224 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -73.37 -46.75 47.22 Favored 'General case' 0 N--CA 1.508 2.434 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 -177.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.34 -40.9 73.82 Favored 'General case' 0 N--CA 1.509 2.502 0 C-N-CA 124.022 0.929 . . . . 0.0 113.299 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -68.55 -37.68 80.13 Favored 'General case' 0 C--N 1.384 2.105 0 C-N-CA 124.145 0.978 . . . . 0.0 112.813 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 0.4 OUTLIER -80.21 -14.37 58.49 Favored 'General case' 0 C--N 1.386 2.161 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.186 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -74.35 -52.74 11.3 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-N 118.788 0.722 . . . . 0.0 112.109 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -74.21 -30.71 62.32 Favored 'General case' 0 C--N 1.392 2.422 0 C-N-CA 124.147 0.979 . . . . 0.0 111.889 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -86.05 -14.17 45.19 Favored 'General case' 0 CA--C 1.574 1.876 0 C-N-CA 124.534 1.134 . . . . 0.0 112.566 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -62.67 -35.06 78.45 Favored 'General case' 0 N--CA 1.521 3.076 0 C-N-CA 125.352 1.461 . . . . 0.0 110.223 174.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.77 -38.35 87.7 Favored 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 125.135 1.374 . . . . 0.0 112.71 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -70.63 -30.12 66.68 Favored 'General case' 0 C--N 1.396 2.615 0 C-N-CA 125.072 1.349 . . . . 0.0 112.498 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 51.54 27.4 3.85 Favored 'General case' 0 N--CA 1.528 3.45 0 C-N-CA 127.86 2.464 . . . . 0.0 117.01 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.58 148.95 39.81 Favored Pre-proline 0 CA--C 1.583 2.22 0 CA-C-O 118.648 -0.691 . . . . 0.0 112.143 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.05 -11.95 17.42 Favored 'Trans proline' 1 C--N 1.427 4.688 0 C-N-CA 124.167 3.244 . . . . 0.0 117.72 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -33.18 65.45 Favored 'General case' 0 N--CA 1.524 3.242 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -173.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -31.16 56.45 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 125.976 1.71 . . . . 0.0 110.73 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.24 -33.53 69.92 Favored 'General case' 0 C--N 1.385 2.137 0 C-N-CA 124.618 1.167 . . . . 0.0 109.787 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.12 -28.94 63.6 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 124.095 0.958 . . . . 0.0 111.995 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -76.2 -43.69 41.26 Favored 'General case' 0 C--N 1.395 2.578 0 C-N-CA 124.654 1.182 . . . . 0.0 112.706 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.1 mp -70.76 -40.58 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 C-N-CA 126.64 1.976 . . . . 0.0 112.106 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.5 m -62.01 -38.61 89.29 Favored 'General case' 0 CA--C 1.584 2.275 0 C-N-CA 125.94 1.696 . . . . 0.0 110.234 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.12 94.9 Favored 'General case' 0 N--CA 1.507 2.386 0 C-N-CA 124.813 1.245 . . . . 0.0 112.002 175.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.46 -28.47 61.97 Favored 'General case' 0 C--N 1.387 2.202 0 C-N-CA 125.187 1.395 . . . . 0.0 111.552 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -34.74 76.09 Favored 'General case' 0 C--N 1.39 2.341 0 C-N-CA 126.646 1.978 . . . . 0.0 111.391 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -76.28 -33.5 59.11 Favored 'General case' 0 C--N 1.38 1.908 0 C-N-CA 125.805 1.642 . . . . 0.0 109.853 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -71.96 -34.9 69.36 Favored 'General case' 0 C--N 1.385 2.126 0 C-N-CA 125.349 1.46 . . . . 0.0 112.626 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.82 -40.64 98.03 Favored 'General case' 0 C--N 1.38 1.912 0 C-N-CA 124.393 1.077 . . . . 0.0 109.863 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.3 p -77.55 -40.4 42.64 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -71.26 -36.05 71.61 Favored 'General case' 0 N--CA 1.514 2.773 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 90.0 m -73.24 -38.35 66.03 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 123.453 0.701 . . . . 0.0 111.679 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -64.71 -39.69 94.08 Favored 'General case' 0 C--N 1.389 2.29 0 C-N-CA 125.032 1.333 . . . . 0.0 112.939 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 15.0 m -72.09 -43.69 64.42 Favored 'General case' 0 CA--C 1.576 1.95 0 C-N-CA 125.037 1.335 . . . . 0.0 112.393 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.66 -39.26 84.54 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 125.541 1.536 . . . . 0.0 113.302 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 35.9 mt -70.43 -39.31 76.22 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.025 0 C-N-CA 125.413 1.485 . . . . 0.0 110.582 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.25 -41.17 97.08 Favored 'General case' 0 C--N 1.392 2.446 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.56 -40.53 84.94 Favored 'General case' 0 N--CA 1.514 2.744 0 C-N-CA 124.777 1.231 . . . . 0.0 113.623 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.3 p -70.33 -34.43 72.67 Favored 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 124.282 1.033 . . . . 0.0 112.667 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.72 -29.74 62.43 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 124.424 1.09 . . . . 0.0 112.61 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.72 -38.68 83.9 Favored 'General case' 0 N--CA 1.514 2.742 0 C-N-CA 124.601 1.16 . . . . 0.0 113.461 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.34 -32.55 70.32 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 124.997 1.319 . . . . 0.0 110.838 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.12 -29.37 60.54 Favored 'General case' 0 C--N 1.384 2.103 0 C-N-CA 125.101 1.361 . . . . 0.0 111.978 177.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -71.97 -31.85 66.69 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 125.736 1.614 . . . . 0.0 112.996 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 . . . . . 0 C--N 1.384 2.079 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 -177.484 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo . . . . . 0 N--CA 1.525 3.328 0 N-CA-C 116.629 1.742 . . . . 0.0 116.629 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.23 -34.73 20.36 Favored 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 124.076 0.951 . . . . 0.0 111.405 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.57 -37.73 49.95 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 125.029 1.332 . . . . 0.0 112.125 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -30.61 67.56 Favored 'General case' 0 C--N 1.382 2.007 0 C-N-CA 124.255 1.022 . . . . 0.0 109.803 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -66.44 -38.41 87.33 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 124.524 1.14 . . . . 0.0 111.506 176.075 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.2 m -71.44 -41.13 69.86 Favored 'General case' 0 C--N 1.386 2.165 0 C-N-CA 123.926 0.89 . . . . 0.0 110.819 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 mt -58.84 -43.75 90.77 Favored 'General case' 0 C--N 1.388 2.266 0 O-C-N 124.422 1.076 . . . . 0.0 112.088 173.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -65.98 -39.62 90.53 Favored 'General case' 0 C--N 1.401 2.809 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -69.28 -38.1 78.2 Favored 'General case' 0 C--N 1.376 1.744 0 CA-C-O 117.5 -1.238 . . . . 0.0 110.307 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.5 -29.02 70.35 Favored 'General case' 0 N--CA 1.507 2.389 0 C-N-CA 123.823 0.849 . . . . 0.0 111.756 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.9 t -76.12 -45.69 35.43 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 C-N-CA 125.633 1.573 . . . . 0.0 110.843 177.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.65 -29.66 67.17 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 123.543 0.737 . . . . 0.0 111.228 175.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.44 91.14 Favored 'General case' 0 N--CA 1.51 2.559 0 C-N-CA 125.855 1.662 . . . . 0.0 110.245 171.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -35.46 70.73 Favored 'General case' 0 C--N 1.382 1.98 0 C-N-CA 124.737 1.215 . . . . 0.0 110.745 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -59.82 -43.15 94.69 Favored 'General case' 0 N--CA 1.503 2.214 0 C-N-CA 127.198 2.199 . . . . 0.0 111.837 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.13 -14.07 59.35 Favored 'General case' 0 N--CA 1.504 2.268 0 C-N-CA 125.094 1.358 . . . . 0.0 114.19 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -97.6 -18.17 19.09 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.848 1.259 . . . . 0.0 109.023 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.18 15.9 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.696 0 C-N-CA 126.769 2.028 . . . . 0.0 111.046 176.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.5 -81.13 0.14 Allowed Glycine 0 N--CA 1.495 2.584 0 CA-C-O 116.391 -2.339 . . . . 0.0 114.046 -172.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.24 -3.28 9.6 Favored 'Trans proline' 1 C--N 1.423 4.497 0 CA-C-N 122.461 3.131 . . . . 0.0 114.869 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.27 -8.05 55.82 Favored 'General case' 0 C--N 1.382 2.015 0 C-N-CA 126.484 1.914 . . . . 0.0 112.772 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.022 0 C-N-CA 126.764 2.026 . . . . 0.0 116.391 178.755 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 121.837 0.827 . . . . 0.0 110.087 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -85.06 -0.86 55.85 Favored 'General case' 0 N--CA 1.5 2.065 0 CA-C-N 113.989 -1.46 . . . . 0.0 113.881 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -80.62 -21.68 41.29 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 124.277 1.031 . . . . 0.0 111.756 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 mt -90.62 -3.09 57.79 Favored 'General case' 0 C--N 1.384 2.096 0 C-N-CA 124.687 1.195 . . . . 0.0 112.13 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -122.35 156.85 33.07 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 124.506 1.123 . . . . 0.0 112.953 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.22 113.05 18.41 Favored 'General case' 0 C--N 1.376 1.746 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 t -135.84 158.97 43.1 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.69 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -106.55 48.5 0.84 Allowed 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.34 -69.79 0.47 Allowed Glycine 0 N--CA 1.489 2.224 0 N-CA-C 118.168 2.027 . . . . 0.0 118.168 170.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -175.21 63.91 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 119.056 1.428 . . . . 0.0 109.78 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -141.58 137.96 32.3 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.06 -23.58 62.17 Favored 'General case' 0 N--CA 1.525 3.291 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 171.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.1 -36.96 93.7 Favored Glycine 0 C--N 1.381 3.081 0 C-N-CA 125.353 1.454 . . . . 0.0 114.422 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.66 -23.04 42.79 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 123.754 0.821 . . . . 0.0 112.547 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -81.37 -29.69 33.94 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.77 -38.21 58.56 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 124.931 1.292 . . . . 0.0 112.933 178.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.8 -35.88 72.74 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 125.49 1.516 . . . . 0.0 112.492 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -78.79 -29.36 44.88 Favored 'General case' 0 C--N 1.377 1.795 0 C-N-CA 123.754 0.822 . . . . 0.0 110.437 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.48 -37.56 65.7 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.771 -1.559 . . . . 0.0 111.342 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -65.0 -41.52 95.32 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 125.186 1.394 . . . . 0.0 110.412 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.79 -39.8 72.95 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 125.719 1.608 . . . . 0.0 112.016 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.8 m -63.14 -37.65 88.04 Favored 'General case' 0 N--CA 1.513 2.705 0 C-N-CA 124.421 1.089 . . . . 0.0 113.674 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.7 tp -70.19 -40.87 74.36 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 124.753 1.221 . . . . 0.0 110.944 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.5 p -71.55 -29.59 64.92 Favored 'General case' 0 N--CA 1.507 2.408 0 C-N-CA 125.372 1.469 . . . . 0.0 113.407 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -76.93 -39.28 51.29 Favored 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 123.882 0.873 . . . . 0.0 113.068 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.03 -35.68 78.68 Favored 'General case' 0 N--CA 1.507 2.379 0 C-N-CA 124.923 1.289 . . . . 0.0 111.744 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -34.98 78.93 Favored 'General case' 0 C--N 1.386 2.189 0 C-N-CA 126.456 1.903 . . . . 0.0 112.143 176.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.15 -40.76 94.8 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 124.2 1.0 . . . . 0.0 112.111 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.8 -27.83 68.55 Favored 'General case' 0 C--N 1.393 2.498 0 C-N-CA 124.973 1.309 . . . . 0.0 113.244 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.32 -38.89 83.69 Favored 'Isoleucine or valine' 0 C--N 1.379 1.886 0 C-N-CA 125.31 1.444 . . . . 0.0 108.866 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -69.39 -12.24 61.49 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 125.854 1.662 . . . . 0.0 112.444 174.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -84.1 -38.99 20.07 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 171.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.06 32.19 2.27 Favored Glycine 0 C--N 1.379 2.963 0 N-CA-C 116.546 1.379 . . . . 0.0 116.546 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.24 108.61 20.21 Favored 'General case' 0 C--N 1.373 1.588 0 CA-C-O 121.772 0.796 . . . . 0.0 109.126 177.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.64 -23.39 61.68 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 113.531 -1.668 . . . . 0.0 112.462 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.6 m -71.06 -37.38 72.49 Favored 'General case' 0 CA--C 1.573 1.853 0 C-N-CA 125.06 1.344 . . . . 0.0 110.39 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.96 -22.56 58.49 Favored 'General case' 0 C--N 1.392 2.434 0 C-N-CA 124.341 1.056 . . . . 0.0 112.165 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.91 -49.26 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 126.447 1.899 . . . . 0.0 109.864 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.79 -37.15 81.64 Favored 'General case' 0 C--N 1.383 2.045 0 C-N-CA 127.074 2.15 . . . . 0.0 112.344 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.84 -45.62 91.74 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 125.575 1.55 . . . . 0.0 108.962 172.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.95 -40.18 95.83 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 124.763 1.29 . . . . 0.0 111.305 175.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.19 95.75 Favored 'General case' 0 N--CA 1.511 2.624 0 C-N-CA 124.944 1.298 . . . . 0.0 112.607 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.98 -38.04 75.92 Favored 'General case' 0 N--CA 1.519 3.013 0 C-N-CA 126.096 1.759 . . . . 0.0 111.221 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -28.9 64.12 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 125.484 1.514 . . . . 0.0 110.571 173.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.15 -45.56 66.52 Favored 'General case' 0 C--N 1.379 1.851 0 C-N-CA 124.192 0.997 . . . . 0.0 111.443 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.45 -40.25 81.18 Favored 'General case' 0 C--N 1.388 2.264 0 C-N-CA 125.369 1.468 . . . . 0.0 112.752 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.405 ' HB2' HE21 ' A' ' 8' ' ' GLN . . . -66.65 -37.28 84.48 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 125.928 1.691 . . . . 0.0 111.89 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -73.59 -27.12 61.13 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 123.883 0.873 . . . . 0.0 112.369 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 33.2 mt -63.07 -46.35 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -67.37 -46.68 72.61 Favored 'General case' 0 N--CA 1.502 2.143 0 C-N-CA 124.718 1.207 . . . . 0.0 112.497 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.04 -44.17 61.11 Favored 'General case' 0 C--N 1.376 1.75 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.1 mt -85.88 -45.93 11.08 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -175.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 50.7 mt-30 -65.92 -36.89 84.61 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 124.047 0.842 . . . . 0.0 113.026 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -76.0 -38.85 56.87 Favored 'General case' 0 CA--C 1.588 2.411 0 C-N-CA 124.556 1.142 . . . . 0.0 113.771 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -77.19 -26.14 52.55 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-N 119.534 1.061 . . . . 0.0 109.519 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.51 -23.83 46.12 Favored 'General case' 0 C--N 1.385 2.117 0 C-N-CA 125.776 1.63 . . . . 0.0 110.451 174.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.44 96.89 Favored 'General case' 0 C--N 1.413 3.341 0 C-N-CA 123.693 0.797 . . . . 0.0 112.957 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -77.79 -29.38 50.78 Favored 'General case' 0 C--N 1.391 2.411 0 C-N-CA 124.58 1.152 . . . . 0.0 111.174 175.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.88 -25.49 56.97 Favored 'General case' 0 C--N 1.389 2.291 0 C-N-CA 123.978 0.911 . . . . 0.0 113.033 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -57.64 -17.67 15.98 Favored 'General case' 0 C--N 1.415 3.444 0 C-N-CA 126.007 1.723 . . . . 0.0 113.078 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.526 3.333 0 C-N-CA 127.116 2.166 . . . . 0.0 114.442 174.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.572 1.817 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 64.0 mt -71.48 -35.4 70.79 Favored 'General case' 0 C--N 1.391 2.412 0 C-N-CA 124.701 1.2 . . . . 0.0 113.052 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -68.64 -34.3 75.48 Favored 'General case' 0 C--N 1.381 1.936 0 C-N-CA 125.237 1.415 . . . . 0.0 111.401 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -65.15 -36.03 82.96 Favored 'General case' 0 C--N 1.387 2.21 0 C-N-CA 125.497 1.519 . . . . 0.0 110.796 173.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.482 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -72.1 -50.35 28.78 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 123.814 0.845 . . . . 0.0 110.82 175.53 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.39 -62.04 1.85 Allowed 'General case' 0 CA--C 1.596 2.723 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.53 -43.47 20.67 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 117.032 2.234 . . . . 0.0 117.032 -176.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 38.1 mt-10 -71.54 -33.62 69.31 Favored 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 7.4 m-85 -68.41 -38.92 81.73 Favored 'General case' 0 C--N 1.39 2.345 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.783 177.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -64.32 -38.48 91.2 Favored 'General case' 0 C--N 1.395 2.561 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -67.13 -42.32 84.62 Favored 'General case' 0 N--CA 1.516 2.866 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -70.61 -35.11 72.8 Favored 'General case' 0 N--CA 1.506 2.334 0 C-N-CA 124.243 1.017 . . . . 0.0 112.116 178.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 31.9 mt-10 -67.95 -35.71 78.86 Favored 'General case' 0 C--N 1.382 2.02 0 C-N-CA 125.168 1.387 . . . . 0.0 111.784 176.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -59.69 -50.22 74.68 Favored 'General case' 0 C--N 1.39 2.361 0 C-N-CA 125.918 1.687 . . . . 0.0 114.571 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -72.36 -39.96 67.68 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 152' ' ' LEU . 20.1 mt -61.28 -33.46 73.58 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 123.671 0.607 . . . . 0.0 110.555 175.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -70.58 -35.24 72.93 Favored 'General case' 0 C--N 1.377 1.794 0 C-N-CA 125.225 1.41 . . . . 0.0 111.955 176.183 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.1 -39.61 90.1 Favored 'General case' 0 C--N 1.408 3.148 0 C-N-CA 125.582 1.553 . . . . 0.0 112.547 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 59.7 mtt -64.47 -39.58 94.08 Favored 'General case' 0 C--N 1.386 2.183 0 O-C-N 124.817 1.323 . . . . 0.0 110.67 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -68.87 -38.93 80.03 Favored 'General case' 0 C--N 1.383 2.055 0 C-N-CA 125.017 1.327 . . . . 0.0 110.534 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -66.49 -35.71 80.94 Favored 'General case' 0 C--N 1.399 2.746 0 C-N-CA 124.962 1.305 . . . . 0.0 114.505 -178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.45 -39.76 85.36 Favored 'General case' 0 N--CA 1.507 2.411 0 C-N-CA 124.373 1.069 . . . . 0.0 110.923 176.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -75.74 -23.78 56.04 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 124.606 1.162 . . . . 0.0 112.647 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -69.15 -36.86 77.87 Favored 'General case' 0 N--CA 1.516 2.826 0 C-N-CA 125.195 1.398 . . . . 0.0 111.21 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -67.2 -38.67 85.72 Favored 'General case' 0 C--N 1.384 2.097 0 C-N-CA 124.9 1.28 . . . . 0.0 110.712 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.93 -36.41 75.3 Favored 'General case' 0 C--N 1.391 2.379 0 C-N-CA 124.864 1.266 . . . . 0.0 111.858 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -70.14 -34.52 73.16 Favored 'General case' 0 C--N 1.389 2.321 0 C-N-CA 125.066 1.347 . . . . 0.0 111.757 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.42 -38.34 89.63 Favored 'General case' 0 CA--C 1.572 1.811 0 C-N-CA 125.22 1.408 . . . . 0.0 113.273 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -90.82 -38.9 12.67 Favored 'General case' 0 C--N 1.387 2.199 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -106.83 -29.98 9.18 Favored 'General case' 0 C--N 1.394 2.532 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 55.99 26.17 9.64 Favored 'General case' 0 N--CA 1.531 3.621 0 C-N-CA 127.519 2.328 . . . . 0.0 116.569 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.17 137.92 60.62 Favored Pre-proline 0 N--CA 1.503 2.182 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -56.74 -14.88 14.67 Favored 'Trans proline' 1 C--N 1.438 5.283 0 C-N-CA 124.808 3.672 . . . . 0.0 116.748 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -68.73 -37.76 79.68 Favored 'General case' 0 N--CA 1.527 3.413 0 C-N-CA 124.396 1.078 . . . . 0.0 113.273 -177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.505 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -77.83 -29.68 50.68 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 126.692 1.997 . . . . 0.0 109.988 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.42 -37.02 77.24 Favored 'General case' 0 C--N 1.375 1.716 0 C-N-CA 126.779 2.032 . . . . 0.0 110.394 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.64 -33.18 70.71 Favored 'General case' 0 C--N 1.381 1.937 0 C-N-CA 124.112 0.965 . . . . 0.0 110.738 173.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.33 -42.58 65.22 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 125.085 1.354 . . . . 0.0 114.007 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 6.6 mt -66.35 -43.18 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.233 0 C-N-CA 125.274 1.429 . . . . 0.0 109.069 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.3 m -62.59 -42.49 99.59 Favored 'General case' 0 CA--C 1.588 2.417 0 C-N-CA 126.059 1.744 . . . . 0.0 111.558 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.01 95.98 Favored 'General case' 0 N--CA 1.512 2.65 0 C-N-CA 124.576 1.15 . . . . 0.0 112.492 175.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 21.8 mt -73.53 -27.6 61.44 Favored 'General case' 0 C--N 1.38 1.912 0 C-N-CA 125.061 1.345 . . . . 0.0 111.974 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -37.91 88.36 Favored 'General case' 0 C--N 1.39 2.344 0 C-N-CA 126.22 1.808 . . . . 0.0 112.439 177.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -75.18 -34.87 61.59 Favored 'General case' 0 C--N 1.39 2.363 0 C-N-CA 125.139 1.376 . . . . 0.0 109.954 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -70.46 -34.98 73.04 Favored 'General case' 0 C--N 1.386 2.179 0 C-N-CA 125.626 1.57 . . . . 0.0 112.613 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.7 OUTLIER -64.46 -38.7 91.93 Favored 'General case' 0 C--N 1.381 1.961 0 C-N-CA 124.332 1.053 . . . . 0.0 109.999 174.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.7 p -77.36 -39.04 48.85 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 123.94 0.775 . . . . 0.0 112.814 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -70.69 -37.56 73.61 Favored 'General case' 0 N--CA 1.514 2.74 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 88.8 m -71.52 -38.38 71.1 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 123.767 0.827 . . . . 0.0 111.65 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -64.0 -38.13 89.96 Favored 'General case' 0 C--N 1.391 2.388 0 C-N-CA 125.294 1.437 . . . . 0.0 113.369 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 27.5 m -67.68 -40.63 84.42 Favored 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 125.263 1.425 . . . . 0.0 110.235 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.89 -37.88 79.3 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 125.963 1.705 . . . . 0.0 112.589 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 13.0 mt -70.24 -40.01 77.49 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.863 0 C-N-CA 126.291 1.837 . . . . 0.0 110.62 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.0 98.87 Favored 'General case' 0 C--N 1.389 2.308 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.39 -41.28 66.47 Favored 'General case' 0 N--CA 1.507 2.424 0 C-N-CA 124.553 1.141 . . . . 0.0 114.078 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.7 p -72.15 -38.57 69.17 Favored 'General case' 0 N--CA 1.509 2.499 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -74.34 -36.18 63.64 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 123.824 0.85 . . . . 0.0 113.189 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -68.17 -38.53 82.18 Favored 'General case' 0 N--CA 1.51 2.53 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -71.1 -37.19 72.39 Favored 'General case' 0 C--N 1.374 1.638 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.811 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.12 -33.84 68.13 Favored 'General case' 0 C--N 1.389 2.302 0 C-N-CA 125.567 1.547 . . . . 0.0 112.735 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.15 -23.61 59.29 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 124.651 1.18 . . . . 0.0 112.887 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.381 1.964 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo . . . . . 0 N--CA 1.521 3.122 0 N-CA-C 114.462 0.909 . . . . 0.0 114.462 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.63 -44.55 6.4 Favored 'General case' 0 N--CA 1.503 2.184 0 C-N-CA 123.586 0.754 . . . . 0.0 112.092 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -36.8 57.61 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 125.057 1.343 . . . . 0.0 112.203 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.32 -31.46 68.78 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 124.441 1.096 . . . . 0.0 110.524 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -69.43 -35.69 75.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 124.361 1.038 . . . . 0.0 111.394 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -72.36 -40.97 66.94 Favored 'General case' 0 C--N 1.387 2.235 0 C-N-CA 124.108 0.963 . . . . 0.0 111.015 176.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.8 -44.41 86.28 Favored 'General case' 0 C--N 1.392 2.419 0 O-C-N 124.344 1.028 . . . . 0.0 111.965 173.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -65.57 -39.07 91.25 Favored 'General case' 0 C--N 1.396 2.612 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.5 m -68.89 -38.79 79.86 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.744 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.7 -30.6 71.53 Favored 'General case' 0 N--CA 1.509 2.487 0 C-N-CA 124.704 1.202 . . . . 0.0 111.986 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.8 t -75.26 -46.16 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 C-N-CA 125.251 1.42 . . . . 0.0 110.415 177.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB1' HD21 ' A' ' 86' ' ' LEU . . . -69.14 -30.68 68.98 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 123.755 0.822 . . . . 0.0 111.453 175.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.421 ' O ' HD23 ' A' ' 20' ' ' LEU . . . -64.63 -42.75 95.27 Favored 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 125.49 1.516 . . . . 0.0 110.427 172.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.11 -35.42 74.12 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 124.208 1.003 . . . . 0.0 110.637 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -61.04 -39.6 90.42 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 127.543 2.337 . . . . 0.0 111.977 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.84 -15.96 59.57 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 176.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 16' ' ' ALA . 3.0 mm? -97.52 -19.04 18.63 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.956 1.302 . . . . 0.0 110.168 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.17 10.41 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 C-N-CA 126.976 2.11 . . . . 0.0 113.456 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.32 -75.55 1.2 Allowed Glycine 0 N--CA 1.488 2.112 0 CA-C-O 117.098 -1.946 . . . . 0.0 113.99 -171.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -60.2 -19.02 55.13 Favored 'Trans proline' 1 C--N 1.42 4.313 0 CA-C-N 121.068 2.434 . . . . 0.0 114.471 176.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mp -72.35 -38.82 68.48 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 124.775 1.23 . . . . 0.0 112.993 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.393 2.491 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 179.152 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 122.361 1.076 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -82.24 -14.52 55.38 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 112.933 -1.94 . . . . 0.0 113.915 -176.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -81.31 -28.33 34.65 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 123.455 0.702 . . . . 0.0 111.584 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mt -98.03 -1.04 43.47 Favored 'General case' 0 C--N 1.385 2.146 0 C-N-CA 124.071 0.948 . . . . 0.0 112.451 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -120.56 153.94 36.06 Favored 'General case' 0 C--N 1.38 1.894 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.37 112.82 18.56 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.3 t -134.58 158.47 43.93 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.148 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -111.81 22.29 15.1 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 124.398 1.079 . . . . 0.0 112.924 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.28 85.89 0.63 Allowed Glycine 0 C--N 1.362 1.972 0 CA-C-O 117.528 -1.707 . . . . 0.0 117.222 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 27.59 59.76 0.1 Allowed 'General case' 0 N--CA 1.531 3.586 0 N-CA-C 117.282 2.327 . . . . 0.0 117.282 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -131.79 133.5 44.79 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.83 -27.62 63.03 Favored 'General case' 0 N--CA 1.512 2.674 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 170.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.63 -36.93 93.39 Favored Glycine 0 C--N 1.385 3.27 0 CA-C-N 113.924 -1.489 . . . . 0.0 114.418 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.98 -25.81 40.2 Favored 'General case' 0 C--N 1.395 2.57 0 C-N-CA 123.206 0.602 . . . . 0.0 112.043 -177.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -81.93 -29.64 32.19 Favored 'General case' 0 N--CA 1.505 2.315 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.385 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.14 -35.77 61.62 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 124.794 1.238 . . . . 0.0 111.876 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -30.37 67.65 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 125.362 1.465 . . . . 0.0 111.393 177.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.39 -31.25 37.81 Favored 'General case' 0 C--N 1.382 2.008 0 C-N-CA 123.659 0.784 . . . . 0.0 109.13 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.32 -40.48 64.44 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 114.208 -1.36 . . . . 0.0 112.256 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.54 -35.48 75.47 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 124.792 1.237 . . . . 0.0 110.911 175.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.26 -26.64 61.19 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 125.88 1.672 . . . . 0.0 112.493 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.2 m -78.39 -28.41 46.98 Favored 'General case' 0 C--N 1.386 2.187 0 C-N-CA 123.723 0.809 . . . . 0.0 110.553 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.4 -40.99 66.76 Favored 'General case' 0 C--N 1.385 2.109 0 C-N-CA 124.184 0.994 . . . . 0.0 110.888 176.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.5 p -70.93 -32.13 68.95 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 125.809 1.644 . . . . 0.0 113.943 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -76.94 -40.59 46.54 Favored 'General case' 0 N--CA 1.513 2.714 0 CA-C-N 118.961 0.8 . . . . 0.0 112.942 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.69 -31.76 71.1 Favored 'General case' 0 C--N 1.39 2.342 0 C-N-CA 124.739 1.215 . . . . 0.0 111.43 177.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 0.4 OUTLIER -66.21 -33.53 75.96 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 126.188 1.795 . . . . 0.0 111.45 175.791 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.15 90.02 Favored 'General case' 0 C--N 1.391 2.393 0 O-C-N 124.111 0.882 . . . . 0.0 112.591 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.09 -29.85 66.93 Favored 'General case' 0 C--N 1.391 2.407 0 C-N-CA 123.62 0.768 . . . . 0.0 112.26 173.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 59.4 t -60.49 -40.26 83.76 Favored 'Isoleucine or valine' 0 C--N 1.389 2.283 0 C-N-CA 125.804 1.641 . . . . 0.0 109.376 175.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -52.36 -33.22 42.02 Favored 'General case' 0 C--N 1.394 2.538 0 O-C-N 125.195 1.56 . . . . 0.0 113.285 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -70.19 -37.9 75.22 Favored 'General case' 0 C--N 1.401 2.829 0 C-N-CA 125.379 1.472 . . . . 0.0 112.447 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.77 35.09 2.09 Favored Glycine 0 C--N 1.372 2.562 0 N-CA-C 115.793 1.077 . . . . 0.0 115.793 175.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.7 113.35 25.42 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-O 121.805 0.812 . . . . 0.0 109.153 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.51 -29.17 65.6 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 113.135 -1.848 . . . . 0.0 113.203 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.9 m -71.75 -38.01 70.46 Favored 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 124.851 1.26 . . . . 0.0 111.265 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -75.32 -22.66 57.48 Favored 'General case' 0 N--CA 1.507 2.424 0 C-N-CA 123.734 0.814 . . . . 0.0 112.306 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.0 t -76.6 -47.69 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 126.183 1.793 . . . . 0.0 109.861 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.73 -37.46 82.21 Favored 'General case' 0 C--N 1.386 2.169 0 C-N-CA 127.319 2.248 . . . . 0.0 112.636 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -41.47 97.27 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 126.15 1.78 . . . . 0.0 110.127 173.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tt -72.85 -37.85 67.25 Favored 'General case' 0 CA--C 1.573 1.83 0 C-N-CA 124.849 1.26 . . . . 0.0 109.729 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.27 99.24 Favored 'General case' 0 N--CA 1.515 2.778 0 C-N-CA 124.641 1.176 . . . . 0.0 112.257 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -72.17 -37.07 69.42 Favored 'General case' 0 N--CA 1.515 2.792 0 C-N-CA 126.204 1.802 . . . . 0.0 111.506 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -71.34 -30.33 66.06 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 125.078 1.351 . . . . 0.0 110.578 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.06 -43.22 65.26 Favored 'General case' 0 C--N 1.374 1.662 0 C-N-CA 124.496 1.118 . . . . 0.0 112.522 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.26 -40.57 81.87 Favored 'General case' 0 C--N 1.387 2.224 0 C-N-CA 124.891 1.276 . . . . 0.0 112.524 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.39 -37.78 83.65 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 126.404 1.882 . . . . 0.0 112.177 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -73.36 -27.81 61.69 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 123.889 0.876 . . . . 0.0 112.413 176.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.559 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 27.4 mt -62.22 -46.26 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.529 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.3 mt-10 -66.15 -45.04 82.38 Favored 'General case' 0 N--CA 1.506 2.337 0 C-N-CA 124.799 1.24 . . . . 0.0 112.377 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.34 -44.71 58.3 Favored 'General case' 0 C--N 1.377 1.78 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -177.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.47 HD13 HE22 ' A' ' 116' ' ' GLN . 72.7 mt -86.21 -43.21 13.17 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -175.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 18.6 mt-30 -67.77 -38.17 83.04 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 123.819 0.7 . . . . 0.0 111.964 178.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 7.3 mtt180 -79.17 -38.29 36.28 Favored 'General case' 0 C--N 1.388 2.282 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -72.4 -31.7 65.76 Favored 'General case' 0 N--CA 1.514 2.755 0 CA-C-N 119.316 0.962 . . . . 0.0 110.311 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.3 -29.21 60.01 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 124.072 0.949 . . . . 0.0 110.306 174.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.43 73.44 Favored 'General case' 0 C--N 1.408 3.11 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.5 p -85.67 -22.4 27.9 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.322 1.049 . . . . 0.0 110.737 177.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.01 -28.47 57.79 Favored 'General case' 0 C--N 1.388 2.264 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.495 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -77.97 -9.03 58.9 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 125.671 1.589 . . . . 0.0 113.388 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 179.356 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 . . . . . 0 N--CA 1.511 2.606 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.468 ' H ' ' HG ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -74.5 -27.04 60.38 Favored 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 126.182 1.793 . . . . 0.0 112.914 178.489 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -67.22 -35.67 80.08 Favored 'General case' 0 C--N 1.379 1.873 0 C-N-CA 125.536 1.535 . . . . 0.0 110.367 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.18 -35.79 81.38 Favored 'General case' 0 C--N 1.393 2.46 0 C-N-CA 126.082 1.753 . . . . 0.0 111.052 173.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.702 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -71.46 -44.11 65.39 Favored 'General case' 0 C--N 1.377 1.794 0 C-N-CA 123.63 0.772 . . . . 0.0 110.962 174.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -60.73 3.35 Favored 'General case' 0 CA--C 1.599 2.853 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 177.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.24 -48.02 9.51 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -175.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 40.7 mt-10 -71.32 -34.98 71.06 Favored 'General case' 0 N--CA 1.512 2.652 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -178.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.702 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 4.1 m-85 -68.57 -38.47 80.76 Favored 'General case' 0 C--N 1.396 2.589 0 CA-C-N 118.768 0.713 . . . . 0.0 111.806 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.47 HE22 HD13 ' A' ' 86' ' ' LEU . 55.0 mt-30 -66.17 -33.94 76.9 Favored 'General case' 0 C--N 1.397 2.649 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.82 -42.3 95.08 Favored 'General case' 0 N--CA 1.518 2.957 0 C-N-CA 124.727 1.211 . . . . 0.0 112.964 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -70.0 -36.25 74.99 Favored 'General case' 0 C--N 1.388 2.246 0 C-N-CA 124.935 1.294 . . . . 0.0 112.257 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -69.09 -35.01 76.0 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 125.09 1.356 . . . . 0.0 111.806 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -62.03 -45.77 92.1 Favored 'General case' 0 C--N 1.39 2.336 0 C-N-CA 125.771 1.628 . . . . 0.0 113.169 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -72.77 -41.29 65.2 Favored 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.76 -33.76 73.44 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 118.283 0.492 . . . . 0.0 110.407 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -32.94 68.58 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 124.984 1.314 . . . . 0.0 112.849 176.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.49 87.7 Favored 'General case' 0 C--N 1.399 2.754 0 C-N-CA 124.966 1.307 . . . . 0.0 111.913 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.6 mtt -65.53 -38.66 90.3 Favored 'General case' 0 C--N 1.393 2.472 0 O-C-N 125.307 1.63 . . . . 0.0 110.764 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -69.51 -39.39 77.58 Favored 'General case' 0 C--N 1.383 2.054 0 C-N-CA 124.678 1.191 . . . . 0.0 111.211 177.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -74.0 -46.61 42.54 Favored 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.45 -41.36 72.92 Favored 'General case' 0 N--CA 1.51 2.552 0 C-N-CA 124.105 0.962 . . . . 0.0 113.538 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.73 -36.7 76.08 Favored 'General case' 0 C--N 1.382 2.016 0 C-N-CA 124.224 1.01 . . . . 0.0 112.782 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 0.3 OUTLIER -78.23 -21.14 50.4 Favored 'General case' 0 C--N 1.384 2.068 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -74.37 -53.15 10.21 Favored 'General case' 0 C--O 1.273 2.304 0 CA-C-N 118.987 0.812 . . . . 0.0 112.97 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -72.3 -34.3 68.04 Favored 'General case' 0 C--N 1.391 2.376 0 CA-C-N 114.469 -1.242 . . . . 0.0 111.826 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -87.95 -9.96 51.97 Favored 'General case' 0 CA--C 1.577 1.988 0 C-N-CA 124.235 1.014 . . . . 0.0 112.934 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -63.97 -31.08 72.14 Favored 'General case' 0 N--CA 1.523 3.213 0 C-N-CA 124.854 1.262 . . . . 0.0 110.057 174.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -67.74 -14.87 63.31 Favored 'General case' 0 CA--C 1.583 2.248 0 C-N-CA 125.706 1.602 . . . . 0.0 113.691 175.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -96.49 -28.43 14.41 Favored 'General case' 0 C--N 1.393 2.469 0 C-N-CA 124.876 1.271 . . . . 0.0 109.675 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.93 33.68 17.85 Favored 'General case' 0 N--CA 1.522 3.172 0 C-N-CA 128.307 2.643 . . . . 0.0 115.632 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.21 142.7 36.03 Favored Pre-proline 0 CA--C 1.577 2.005 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -65.91 -11.06 29.27 Favored 'Trans proline' 1 C--N 1.425 4.597 0 C-N-CA 123.638 2.892 . . . . 0.0 116.41 177.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -69.85 -33.37 72.18 Favored 'General case' 0 N--CA 1.529 3.487 0 C-N-CA 124.461 1.104 . . . . 0.0 113.903 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.5 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -78.48 -30.35 47.28 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.317 1.847 . . . . 0.0 109.998 -178.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.45 70.55 Favored 'General case' 0 C--N 1.381 1.95 0 C-N-CA 124.826 1.25 . . . . 0.0 109.307 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -72.63 -30.87 64.69 Favored 'General case' 0 CA--C 1.58 2.12 0 C-N-CA 124.31 1.044 . . . . 0.0 111.344 173.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -77.24 -44.65 29.13 Favored 'General case' 0 C--N 1.399 2.725 0 C-N-CA 124.908 1.283 . . . . 0.0 113.622 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.2 mp -67.9 -42.25 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 C-N-CA 126.659 1.983 . . . . 0.0 111.827 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 36.7 m -62.95 -39.69 95.38 Favored 'General case' 0 CA--C 1.584 2.254 0 C-N-CA 125.712 1.605 . . . . 0.0 110.739 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.67 92.72 Favored 'General case' 0 N--CA 1.509 2.489 0 C-N-CA 124.833 1.253 . . . . 0.0 112.127 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.74 -28.53 62.7 Favored 'General case' 0 C--N 1.384 2.076 0 C-N-CA 125.126 1.371 . . . . 0.0 111.496 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.49 -31.98 69.32 Favored 'General case' 0 C--N 1.393 2.469 0 C-N-CA 126.074 1.75 . . . . 0.0 111.54 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -76.06 -34.69 59.6 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 125.661 1.584 . . . . 0.0 109.659 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 155' ' ' CYS . 24.3 mmt180 -71.81 -33.55 68.62 Favored 'General case' 0 C--N 1.386 2.17 0 C-N-CA 125.446 1.499 . . . . 0.0 112.741 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.3 -40.75 94.19 Favored 'General case' 0 C--N 1.38 1.9 0 C-N-CA 124.73 1.212 . . . . 0.0 109.781 174.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.4 p -76.12 -38.47 56.81 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 124.079 0.862 . . . . 0.0 112.74 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -74.22 -27.86 60.98 Favored 'General case' 0 N--CA 1.514 2.775 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 151' ' ' ARG . 2.1 t -74.15 -40.01 62.88 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 124.136 0.974 . . . . 0.0 110.783 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -30.85 65.61 Favored 'General case' 0 N--CA 1.504 2.242 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.99 -50.33 13.41 Favored 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.03 83.98 Favored 'General case' 0 C--N 1.375 1.717 0 C-N-CA 125.422 1.489 . . . . 0.0 112.877 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 20.2 mt -71.49 -37.28 63.71 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.986 0 C-N-CA 124.724 1.21 . . . . 0.0 111.02 176.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.0 99.63 Favored 'General case' 0 C--N 1.396 2.625 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -72.8 -45.91 56.01 Favored 'General case' 0 N--CA 1.51 2.54 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 21.3 p -74.63 -42.67 58.16 Favored 'General case' 0 N--CA 1.509 2.496 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -74.61 -35.73 62.94 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.88 -32.89 70.01 Favored 'General case' 0 N--CA 1.512 2.641 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.95 -36.05 72.44 Favored 'General case' 0 C--N 1.38 1.904 0 O-C-N 124.517 1.135 . . . . 0.0 110.56 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.8 mt -71.96 -36.26 69.79 Favored 'General case' 0 C--N 1.391 2.398 0 C-N-CA 125.515 1.526 . . . . 0.0 111.793 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -73.12 -21.55 60.71 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 125.407 1.483 . . . . 0.0 113.363 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.378 1.82 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 N--CA 1.527 3.474 0 N-CA-C 114.319 0.853 . . . . 0.0 114.319 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt -98.52 -43.44 6.87 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 123.355 0.662 . . . . 0.0 112.426 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.56 -35.57 58.13 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 125.232 1.413 . . . . 0.0 112.257 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -31.97 68.57 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 124.663 1.185 . . . . 0.0 111.027 178.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -69.04 -37.38 78.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 124.802 1.314 . . . . 0.0 111.683 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.0 m -71.4 -41.21 69.87 Favored 'General case' 0 C--N 1.387 2.212 0 C-N-CA 123.598 0.759 . . . . 0.0 111.023 176.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -57.49 -44.7 85.15 Favored 'General case' 0 C--N 1.39 2.368 0 O-C-N 124.445 1.091 . . . . 0.0 112.277 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -65.37 -40.06 93.08 Favored 'General case' 0 C--N 1.396 2.614 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -69.67 -37.32 76.64 Favored 'General case' 0 C--N 1.377 1.767 0 CA-C-O 117.398 -1.287 . . . . 0.0 110.839 178.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.71 -30.54 71.49 Favored 'General case' 0 N--CA 1.509 2.504 0 C-N-CA 123.934 0.894 . . . . 0.0 111.889 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.58 -46.73 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.421 0 C-N-CA 125.251 1.421 . . . . 0.0 110.912 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.23 -28.07 64.97 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 123.632 0.773 . . . . 0.0 111.581 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.97 94.51 Favored 'General case' 0 N--CA 1.513 2.683 0 C-N-CA 125.974 1.71 . . . . 0.0 110.546 170.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -71.65 -34.73 70.0 Favored 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 124.889 1.275 . . . . 0.0 111.299 176.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -61.47 -42.95 99.57 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 126.92 2.088 . . . . 0.0 112.22 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.78 -17.49 47.47 Favored 'General case' 0 N--CA 1.513 2.69 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mp -94.39 -13.63 26.11 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 126.137 1.775 . . . . 0.0 111.507 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.0 mt -110.01 -22.43 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.344 0 C-N-CA 124.923 1.289 . . . . 0.0 108.568 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -22.51 -86.05 0.01 OUTLIER Glycine 0 C--N 1.39 3.563 0 C-N-CA 128.48 2.943 . . . . 0.0 118.82 -175.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.47 -15.9 38.45 Favored 'Trans proline' 0 C--N 1.41 3.775 0 CA-C-N 121.448 2.624 . . . . 0.0 117.337 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.76 -41.86 64.62 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 -177.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.597 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 178.296 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 122.271 1.034 . . . . 0.0 112.766 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -85.19 -3.11 58.7 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-N 112.885 -1.961 . . . . 0.0 113.868 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -80.27 -30.55 38.39 Favored 'General case' 0 C--N 1.377 1.792 0 C-N-CA 122.991 0.517 . . . . 0.0 111.672 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.53 -1.29 44.32 Favored 'General case' 0 C--N 1.387 2.228 0 O-C-N 123.793 0.683 . . . . 0.0 112.515 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.51 153.97 35.96 Favored 'General case' 0 C--N 1.38 1.927 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.51 105.65 9.56 Favored 'General case' 0 C--N 1.382 2.012 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 173.13 176.38 0.11 Allowed 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 112.968 -1.924 . . . . 0.0 108.908 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -83.77 -38.77 20.89 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.28 83.4 0.06 OUTLIER Glycine 0 N--CA 1.509 3.565 0 N-CA-C 119.909 2.724 . . . . 0.0 119.909 170.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.23 -23.59 2.4 Favored 'General case' 0 CA--C 1.565 1.546 0 CA-C-N 119.518 1.659 . . . . 0.0 108.398 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.537 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 74.5 ttt180 -120.03 151.96 38.22 Favored 'General case' 0 C--N 1.394 2.537 0 C-N-CA 125.959 1.703 . . . . 0.0 110.573 -178.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.21 -17.48 62.51 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 124.089 0.956 . . . . 0.0 111.428 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.537 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.23 -42.93 95.63 Favored Glycine 0 C--N 1.389 3.481 0 C-N-CA 124.37 0.986 . . . . 0.0 114.397 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -75.34 -24.43 57.35 Favored 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 124.495 1.118 . . . . 0.0 112.387 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -81.95 -30.28 31.8 Favored 'General case' 0 N--CA 1.5 2.054 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.989 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.42 -38.0 56.22 Favored 'General case' 0 C--N 1.372 1.549 0 C-N-CA 125.311 1.445 . . . . 0.0 112.507 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -31.16 70.59 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 125.36 1.464 . . . . 0.0 111.326 177.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -78.97 -29.56 43.97 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 123.555 0.742 . . . . 0.0 109.854 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.13 -38.73 69.18 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 113.822 -1.535 . . . . 0.0 111.539 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.26 -40.53 94.07 Favored 'General case' 0 N--CA 1.507 2.387 0 C-N-CA 125.083 1.353 . . . . 0.0 110.635 174.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.68 -25.85 61.4 Favored 'General case' 0 C--N 1.38 1.897 0 C-N-CA 126.677 1.991 . . . . 0.0 113.684 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.9 m -78.74 -32.24 46.63 Favored 'General case' 0 N--CA 1.501 2.116 0 C-N-CA 123.499 0.719 . . . . 0.0 110.378 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.6 tp -73.2 -41.08 64.22 Favored 'General case' 0 C--N 1.383 2.054 0 C-N-CA 125.083 1.353 . . . . 0.0 110.574 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.6 p -71.02 -31.28 67.73 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 125.348 1.459 . . . . 0.0 113.393 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -76.33 -38.36 56.05 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 123.821 0.848 . . . . 0.0 113.019 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.39 -33.79 73.57 Favored 'General case' 0 C--N 1.389 2.318 0 C-N-CA 124.394 1.078 . . . . 0.0 111.44 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -34.14 77.28 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 126.38 1.872 . . . . 0.0 111.717 176.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.38 94.64 Favored 'General case' 0 C--N 1.39 2.363 0 C-N-CA 124.251 1.02 . . . . 0.0 111.93 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.33 -27.47 67.16 Favored 'General case' 0 C--N 1.395 2.571 0 C-N-CA 124.788 1.235 . . . . 0.0 112.951 174.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 76.9 t -64.34 -40.19 88.18 Favored 'Isoleucine or valine' 0 C--N 1.382 1.986 0 C-N-CA 125.671 1.588 . . . . 0.0 108.597 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -67.63 -15.82 63.85 Favored 'General case' 0 N--CA 1.508 2.448 0 C-N-CA 126.13 1.772 . . . . 0.0 112.386 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -80.28 -38.72 30.26 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 171.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.98 30.02 3.11 Favored Glycine 0 C--N 1.38 2.976 0 N-CA-C 116.295 1.278 . . . . 0.0 116.295 171.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.13 112.54 24.06 Favored 'General case' 0 C--N 1.376 1.742 0 CA-C-O 121.906 0.86 . . . . 0.0 109.851 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.88 -27.74 64.03 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 113.16 -1.836 . . . . 0.0 112.965 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.45 -30.79 63.42 Favored 'General case' 0 CA--C 1.578 2.023 0 C-N-CA 123.415 0.686 . . . . 0.0 112.137 176.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -77.91 -22.7 49.27 Favored 'General case' 0 C--N 1.394 2.517 0 C-N-CA 124.263 1.025 . . . . 0.0 112.057 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.5 t -76.84 -48.36 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 126.168 1.787 . . . . 0.0 109.508 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.53 84.64 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 127.479 2.312 . . . . 0.0 112.512 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.92 -44.75 95.22 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 125.358 1.463 . . . . 0.0 109.086 172.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.12 -39.56 94.29 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 124.671 1.232 . . . . 0.0 111.188 174.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.36 95.05 Favored 'General case' 0 N--CA 1.513 2.721 0 C-N-CA 125.198 1.399 . . . . 0.0 112.585 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -70.19 -36.74 74.82 Favored 'General case' 0 N--CA 1.519 3.009 0 C-N-CA 126.069 1.748 . . . . 0.0 110.704 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.4 -29.48 64.97 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 125.667 1.587 . . . . 0.0 110.653 173.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.43 -45.7 65.35 Favored 'General case' 0 CA--C 1.573 1.843 0 C-N-CA 124.806 1.242 . . . . 0.0 111.781 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.29 -39.76 81.99 Favored 'General case' 0 C--N 1.387 2.235 0 C-N-CA 125.097 1.359 . . . . 0.0 112.823 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.02 -36.69 82.69 Favored 'General case' 0 C--N 1.387 2.211 0 C-N-CA 126.003 1.721 . . . . 0.0 112.082 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -74.1 -27.58 60.95 Favored 'General case' 0 C--N 1.376 1.728 0 C-N-CA 123.719 0.807 . . . . 0.0 112.627 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 80' ' ' ALA . 32.8 mt -62.95 -46.03 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.463 0 O-C-N 123.504 0.502 . . . . 0.0 109.734 175.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.71 -44.73 80.89 Favored 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 124.507 1.123 . . . . 0.0 112.182 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.77 -44.23 56.66 Favored 'General case' 0 C--N 1.378 1.832 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -177.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.58 -44.38 12.69 Favored 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -175.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -67.62 -38.67 84.24 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 123.927 0.767 . . . . 0.0 112.661 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -79.07 -39.02 34.9 Favored 'General case' 0 C--N 1.388 2.268 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -73.3 -31.19 63.89 Favored 'General case' 0 N--CA 1.514 2.768 0 CA-C-N 118.791 0.723 . . . . 0.0 110.627 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.74 -29.15 61.07 Favored 'General case' 0 C--N 1.386 2.171 0 C-N-CA 123.775 0.83 . . . . 0.0 109.372 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.26 -30.67 67.78 Favored 'General case' 0 C--N 1.412 3.299 0 C-N-CA 125.051 1.34 . . . . 0.0 114.411 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.1 p -88.66 -21.32 24.0 Favored 'General case' 0 N--CA 1.503 2.175 0 CA-C-N 119.648 1.113 . . . . 0.0 110.114 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.7 -16.84 59.4 Favored 'General case' 0 C--N 1.386 2.154 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.231 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 38.9 p -61.84 -29.28 70.07 Favored 'General case' 0 C--N 1.405 2.992 0 C-N-CA 125.717 1.607 . . . . 0.0 113.679 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mm? . . . . . 0 N--CA 1.506 2.329 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 179.367 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 . . . . . 0 N--CA 1.495 1.78 0 N-CA-C 111.371 0.137 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.8 mt -72.92 -38.48 66.83 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 124.37 1.068 . . . . 0.0 111.554 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -71.93 -28.17 63.29 Favored 'General case' 0 C--N 1.384 2.068 0 C-N-CA 124.687 1.195 . . . . 0.0 109.287 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.29 78.75 Favored 'General case' 0 C--N 1.388 2.282 0 C-N-CA 125.586 1.554 . . . . 0.0 110.895 174.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.61 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 4.3 mpt_? -77.56 -50.47 12.51 Favored 'General case' 0 C--N 1.393 2.494 0 C-N-CA 123.607 0.763 . . . . 0.0 110.268 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mp -58.59 -61.0 2.93 Favored 'General case' 0 CA--C 1.593 2.613 0 O-C-N 124.092 0.87 . . . . 0.0 113.315 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.36 -47.63 8.64 Favored 'General case' 0 C--N 1.384 2.085 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -72.32 -36.52 68.89 Favored 'General case' 0 N--CA 1.513 2.694 0 N-CA-C 114.49 1.292 . . . . 0.0 114.49 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.61 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 7.0 m-85 -70.57 -39.22 74.03 Favored 'General case' 0 C--N 1.391 2.402 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.144 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -69.75 -35.49 75.01 Favored 'General case' 0 C--N 1.397 2.649 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -64.13 -40.92 97.21 Favored 'General case' 0 N--CA 1.523 3.218 0 C-N-CA 124.765 1.226 . . . . 0.0 113.791 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -68.63 -35.94 77.97 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 124.418 1.087 . . . . 0.0 112.281 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.51 -36.3 80.78 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 125.068 1.347 . . . . 0.0 112.148 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -64.47 -41.27 96.6 Favored 'General case' 0 N--CA 1.509 2.48 0 C-N-CA 125.435 1.494 . . . . 0.0 114.563 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -73.52 -40.16 64.25 Favored 'General case' 0 N--CA 1.507 2.394 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.29 -32.65 71.41 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 123.344 0.403 . . . . 0.0 110.252 173.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.83 -32.96 70.18 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 125.081 1.352 . . . . 0.0 112.726 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.44 -38.05 83.92 Favored 'General case' 0 C--N 1.404 2.963 0 C-N-CA 125.314 1.446 . . . . 0.0 111.557 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.75 -38.55 91.38 Favored 'General case' 0 C--N 1.392 2.438 0 O-C-N 125.064 1.478 . . . . 0.0 110.726 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -69.55 -38.38 77.43 Favored 'General case' 0 C--N 1.383 2.036 0 C-N-CA 125.158 1.383 . . . . 0.0 110.854 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -73.64 -46.3 47.59 Favored 'General case' 0 N--CA 1.511 2.611 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.03 -40.73 78.43 Favored 'General case' 0 N--CA 1.514 2.771 0 C-N-CA 124.463 1.105 . . . . 0.0 113.209 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.51 -35.33 77.33 Favored 'General case' 0 C--N 1.383 2.024 0 C-N-CA 124.369 1.068 . . . . 0.0 111.829 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 24.9 tt0 -72.74 -26.2 61.48 Favored 'General case' 0 C--N 1.384 2.099 0 CA-C-O 118.075 -0.964 . . . . 0.0 113.164 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -71.28 -53.36 14.57 Favored 'General case' 0 C--O 1.276 2.473 0 CA-C-N 119.133 0.879 . . . . 0.0 113.21 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.22 -34.41 65.89 Favored 'General case' 0 C--N 1.388 2.246 0 CA-C-N 113.661 -1.609 . . . . 0.0 112.353 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.537 ' HB3' HD22 ' A' ' 141' ' ' LEU . 70.2 m-85 -88.1 -12.02 45.36 Favored 'General case' 0 CA--C 1.575 1.933 0 C-N-CA 124.263 1.025 . . . . 0.0 113.065 178.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -63.06 -33.6 75.78 Favored 'General case' 0 N--CA 1.525 3.29 0 C-N-CA 125.011 1.325 . . . . 0.0 110.734 175.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.48 -15.85 63.89 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 125.628 1.571 . . . . 0.0 114.041 176.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -95.16 -29.06 14.74 Favored 'General case' 0 C--N 1.39 2.34 0 C-N-CA 124.336 1.055 . . . . 0.0 109.766 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 51.28 25.44 2.5 Favored 'General case' 0 N--CA 1.523 3.21 0 C-N-CA 128.305 2.642 . . . . 0.0 117.087 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.58 146.58 41.98 Favored Pre-proline 0 CA--C 1.586 2.338 0 CA-C-O 118.565 -0.731 . . . . 0.0 112.301 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.27 -12.03 12.18 Favored 'Trans proline' 1 C--N 1.43 4.851 0 C-N-CA 124.47 3.447 . . . . 0.0 118.077 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -71.24 -31.22 67.28 Favored 'General case' 0 N--CA 1.531 3.599 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -175.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 133' ' ' TYR . 0.0 OUTLIER -78.17 -30.28 49.03 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 125.824 1.65 . . . . 0.0 110.288 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.32 -32.96 70.94 Favored 'General case' 0 C--N 1.391 2.399 0 C-N-CA 124.908 1.283 . . . . 0.0 110.041 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -71.35 -33.83 69.95 Favored 'General case' 0 CA--C 1.578 2.044 0 C-N-CA 123.806 0.842 . . . . 0.0 110.768 174.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.98 -44.03 66.82 Favored 'General case' 0 N--CA 1.515 2.78 0 C-N-CA 125.273 1.429 . . . . 0.0 114.591 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 141' ' ' LEU . 3.0 mt -68.76 -42.0 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.318 0 C-N-CA 125.248 1.419 . . . . 0.0 109.852 177.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.4 m -60.86 -40.32 92.48 Favored 'General case' 0 CA--C 1.587 2.383 0 C-N-CA 125.915 1.686 . . . . 0.0 111.324 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.93 94.51 Favored 'General case' 0 N--CA 1.51 2.572 0 C-N-CA 124.933 1.293 . . . . 0.0 112.341 176.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.5 -29.37 63.56 Favored 'General case' 0 C--N 1.384 2.07 0 C-N-CA 125.194 1.398 . . . . 0.0 111.558 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -34.92 78.17 Favored 'General case' 0 C--N 1.39 2.329 0 C-N-CA 126.009 1.724 . . . . 0.0 112.641 177.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -74.6 -34.94 62.94 Favored 'General case' 0 C--N 1.389 2.296 0 C-N-CA 125.166 1.386 . . . . 0.0 109.928 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -70.44 -33.96 71.91 Favored 'General case' 0 C--N 1.387 2.209 0 C-N-CA 125.713 1.605 . . . . 0.0 112.537 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.76 -40.4 97.15 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 124.58 1.152 . . . . 0.0 109.873 174.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.0 p -77.93 -39.94 41.22 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -71.86 -35.35 69.78 Favored 'General case' 0 N--CA 1.513 2.72 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 90.7 m -72.17 -38.11 69.2 Favored 'General case' 0 C--N 1.38 1.908 0 C-N-CA 123.793 0.837 . . . . 0.0 111.295 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -37.84 88.9 Favored 'General case' 0 CA--C 1.588 2.423 0 C-N-CA 125.175 1.39 . . . . 0.0 112.768 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.8 m -71.38 -42.67 68.11 Favored 'General case' 0 CA--C 1.579 2.085 0 C-N-CA 125.258 1.423 . . . . 0.0 112.027 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.94 88.44 Favored 'General case' 0 C--N 1.38 1.93 0 C-N-CA 125.966 1.707 . . . . 0.0 113.534 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 39.3 mt -69.54 -39.6 78.64 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.264 0 C-N-CA 125.586 1.555 . . . . 0.0 110.429 176.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.51 95.02 Favored 'General case' 0 C--N 1.387 2.219 0 C-N-CA 124.728 1.211 . . . . 0.0 113.912 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.1 -39.57 86.74 Favored 'General case' 0 N--CA 1.515 2.811 0 C-N-CA 125.064 1.346 . . . . 0.0 113.453 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 13.0 p -70.3 -30.45 67.45 Favored 'General case' 0 N--CA 1.507 2.423 0 C-N-CA 124.289 1.035 . . . . 0.0 112.253 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -74.25 -26.92 60.5 Favored 'General case' 0 C--N 1.381 1.963 0 C-N-CA 124.637 1.175 . . . . 0.0 112.224 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.83 -38.16 79.66 Favored 'General case' 0 N--CA 1.515 2.805 0 C-N-CA 124.974 1.31 . . . . 0.0 112.591 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.26 -32.94 70.99 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.511 1.124 . . . . 0.0 110.18 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.8 -28.75 63.81 Favored 'General case' 0 C--N 1.388 2.256 0 C-N-CA 125.33 1.452 . . . . 0.0 111.759 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -71.79 -26.3 62.36 Favored 'General case' 0 C--N 1.384 2.074 0 C-N-CA 125.33 1.452 . . . . 0.0 113.132 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.575 1.937 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo . . . . . 0 N--CA 1.522 3.177 0 N-CA-C 114.998 1.115 . . . . 0.0 114.998 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mt -99.42 -47.58 5.09 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 123.51 0.724 . . . . 0.0 111.74 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.44 -37.23 52.06 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 125.249 1.419 . . . . 0.0 112.597 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -33.33 72.22 Favored 'General case' 0 C--N 1.379 1.873 0 C-N-CA 124.126 0.971 . . . . 0.0 110.39 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -68.49 -36.01 78.34 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 124.49 1.119 . . . . 0.0 111.675 177.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.7 m -72.96 -40.7 65.13 Favored 'General case' 0 C--N 1.38 1.925 0 C-N-CA 123.728 0.811 . . . . 0.0 110.902 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.36 -43.51 92.84 Favored 'General case' 0 C--N 1.389 2.321 0 O-C-N 124.362 1.039 . . . . 0.0 112.337 174.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -64.5 -40.43 95.63 Favored 'General case' 0 C--N 1.401 2.834 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -69.94 -36.08 75.01 Favored 'General case' 0 C--N 1.377 1.788 0 CA-C-O 117.828 -1.082 . . . . 0.0 110.755 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -63.18 -29.56 70.88 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 124.003 0.921 . . . . 0.0 111.836 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.4 t -76.08 -47.52 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.425 0 C-N-CA 125.837 1.655 . . . . 0.0 111.14 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.46 -29.18 66.8 Favored 'General case' 0 N--CA 1.506 2.327 0 CA-C-N 119.008 0.822 . . . . 0.0 111.66 175.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.5 90.68 Favored 'General case' 0 N--CA 1.514 2.768 0 C-N-CA 125.379 1.471 . . . . 0.0 110.586 172.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.91 -34.42 66.62 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 124.336 1.055 . . . . 0.0 110.884 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -59.7 -42.04 92.1 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 127.064 2.145 . . . . 0.0 111.548 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.39 -15.49 59.93 Favored 'General case' 0 N--CA 1.501 2.125 0 C-N-CA 124.999 1.319 . . . . 0.0 114.019 177.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.4 -20.16 17.3 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 124.209 1.004 . . . . 0.0 109.433 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.6 14.54 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 C-N-CA 126.911 2.084 . . . . 0.0 112.45 178.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.78 -74.23 0.47 Allowed Glycine 0 N--CA 1.493 2.441 0 CA-C-O 116.831 -2.094 . . . . 0.0 113.995 -172.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -67.11 -0.72 5.15 Favored 'Trans proline' 1 C--N 1.416 4.113 0 CA-C-N 121.734 2.767 . . . . 0.0 115.41 177.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 mt -88.49 -14.57 37.48 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 125.664 1.586 . . . . 0.0 112.6 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.495 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.51 2.565 0 C-N-CA 126.905 2.082 . . . . 0.0 116.028 178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.975 0 CA-C-O 123.286 1.517 . . . . 0.0 108.683 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -87.22 -2.13 58.4 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 112.194 -2.275 . . . . 0.0 113.148 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -79.49 -15.22 58.14 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.32 1.048 . . . . 0.0 111.253 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.35 -5.46 59.15 Favored 'General case' 0 C--N 1.39 2.354 0 C-N-CA 123.928 0.891 . . . . 0.0 112.239 176.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.62 158.02 28.29 Favored 'General case' 0 C--N 1.377 1.802 0 C-N-CA 126.136 1.775 . . . . 0.0 108.046 177.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.44 108.9 14.67 Favored 'General case' 0 C--N 1.381 1.953 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.2 t -160.5 163.57 32.77 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 112.101 -2.318 . . . . 0.0 107.674 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -106.12 -26.03 11.78 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.946 0.898 . . . . 0.0 111.441 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.25 83.81 1.66 Allowed Glycine 0 N--CA 1.499 2.835 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.64 -48.18 1.16 Allowed 'General case' 0 C--N 1.377 1.797 0 CA-C-N 117.585 0.693 . . . . 0.0 109.993 -175.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.486 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 66.0 ttt180 -175.3 171.22 2.94 Favored 'General case' 0 C--N 1.407 3.099 0 C-N-CA 127.867 2.467 . . . . 0.0 111.07 -173.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.495 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 2.2 mt -67.36 -23.74 65.63 Favored 'General case' 0 N--CA 1.538 3.951 0 C-N-CA 125.099 1.36 . . . . 0.0 109.976 170.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.486 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.99 -38.16 92.48 Favored Glycine 0 N--CA 1.502 3.051 0 C-N-CA 125.839 1.685 . . . . 0.0 115.076 177.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -41.15 73.35 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 123.28 0.632 . . . . 0.0 111.807 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -62.74 -34.8 77.93 Favored 'General case' 0 N--CA 1.508 2.448 0 O-C-N 124.674 1.234 . . . . 0.0 111.647 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.72 -40.24 49.31 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.473 1.509 . . . . 0.0 114.074 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -31.16 68.43 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 125.118 1.367 . . . . 0.0 111.594 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -80.99 -29.15 35.28 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 123.871 0.868 . . . . 0.0 109.6 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.96 -38.42 66.73 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.299 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.49 -39.45 85.21 Favored 'General case' 0 CA--C 1.577 2.017 0 C-N-CA 124.95 1.3 . . . . 0.0 110.388 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -71.85 -24.63 61.72 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 126.808 2.043 . . . . 0.0 112.753 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.28 -32.04 43.53 Favored 'General case' 0 C--N 1.38 1.926 0 C-N-CA 123.5 0.72 . . . . 0.0 109.214 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.423 HD11 HD11 ' A' ' 123' ' ' LEU . 16.8 tp -72.0 -40.48 68.49 Favored 'General case' 0 C--N 1.382 2.017 0 C-N-CA 125.802 1.641 . . . . 0.0 110.774 177.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.4 p -70.42 -32.08 69.55 Favored 'General case' 0 N--CA 1.508 2.452 0 C-N-CA 125.255 1.422 . . . . 0.0 113.144 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -75.3 -33.9 61.24 Favored 'General case' 0 N--CA 1.509 2.488 0 C-N-CA 123.719 0.808 . . . . 0.0 112.899 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -71.33 -30.38 66.12 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 124.689 1.196 . . . . 0.0 111.454 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -69.46 -32.94 72.17 Favored 'General case' 0 C--N 1.385 2.135 0 C-N-CA 125.777 1.631 . . . . 0.0 111.497 176.584 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.42 -41.55 96.53 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 124.237 1.015 . . . . 0.0 110.502 177.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.71 -29.67 68.98 Favored 'General case' 0 C--N 1.394 2.514 0 C-N-CA 125.716 1.607 . . . . 0.0 115.124 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 61' ' ' GLU . 21.0 m -69.57 -30.2 44.3 Favored 'Isoleucine or valine' 0 C--N 1.394 2.529 0 CA-C-O 121.952 0.882 . . . . 0.0 111.646 178.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -70.27 -12.4 61.56 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 112.415 -2.175 . . . . 0.0 111.612 172.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -88.42 -38.19 15.26 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 107.84 -1.171 . . . . 0.0 107.84 172.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.01 35.3 1.52 Allowed Glycine 0 C--N 1.386 3.311 0 N-CA-C 116.909 1.523 . . . . 0.0 116.909 171.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.25 107.18 19.59 Favored 'General case' 0 C--N 1.374 1.643 0 CA-C-O 121.738 0.78 . . . . 0.0 109.12 177.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.32 -21.63 61.3 Favored 'General case' 0 N--CA 1.504 2.225 0 CA-C-N 113.738 -1.574 . . . . 0.0 112.599 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.5 m -71.29 -37.47 71.85 Favored 'General case' 0 CA--C 1.571 1.778 0 C-N-CA 125.169 1.388 . . . . 0.0 110.102 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.74 -22.34 58.85 Favored 'General case' 0 C--N 1.394 2.518 0 C-N-CA 124.678 1.191 . . . . 0.0 111.898 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.0 t -74.96 -50.27 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 126.473 1.909 . . . . 0.0 109.313 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.98 85.45 Favored 'General case' 0 C--N 1.379 1.855 0 C-N-CA 126.838 2.055 . . . . 0.0 113.052 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -64.39 -43.66 93.76 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 126.472 1.909 . . . . 0.0 110.442 174.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.48 -35.55 68.21 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.214 1.005 . . . . 0.0 110.81 176.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.07 92.6 Favored 'General case' 0 N--CA 1.511 2.589 0 C-N-CA 124.312 1.045 . . . . 0.0 112.594 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.79 -38.26 73.36 Favored 'General case' 0 N--CA 1.516 2.831 0 C-N-CA 125.697 1.599 . . . . 0.0 111.781 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -71.11 -29.37 65.17 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 125.512 1.525 . . . . 0.0 110.439 174.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.5 -45.54 68.66 Favored 'General case' 0 C--N 1.378 1.811 0 C-N-CA 124.226 1.01 . . . . 0.0 112.009 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.12 -40.01 82.62 Favored 'General case' 0 C--N 1.385 2.14 0 C-N-CA 124.88 1.272 . . . . 0.0 113.2 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.66 -38.07 83.27 Favored 'General case' 0 C--N 1.389 2.286 0 C-N-CA 125.864 1.665 . . . . 0.0 112.538 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -73.35 -27.49 61.52 Favored 'General case' 0 C--N 1.376 1.719 0 C-N-CA 123.882 0.873 . . . . 0.0 112.861 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 80' ' ' ALA . 33.4 mt -63.6 -45.63 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.445 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 175.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.68 -45.14 83.98 Favored 'General case' 0 N--CA 1.505 2.287 0 C-N-CA 124.446 1.098 . . . . 0.0 112.303 -178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.56 -45.5 52.99 Favored 'General case' 0 C--N 1.379 1.858 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.9 mp -85.56 -42.12 14.67 Favored 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 115.705 1.742 . . . . 0.0 115.705 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 2.1 mt-30 -67.48 -38.31 84.2 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-O 118.871 -0.585 . . . . 0.0 111.982 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -79.07 -41.51 28.55 Favored 'General case' 0 CA--C 1.586 2.343 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -71.95 -35.77 69.69 Favored 'General case' 0 N--CA 1.516 2.868 0 C-N-CA 123.489 0.716 . . . . 0.0 110.761 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.43 -29.09 62.34 Favored 'General case' 0 C--N 1.384 2.105 0 C-N-CA 124.007 0.923 . . . . 0.0 110.175 175.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.89 -35.88 77.41 Favored 'General case' 0 C--N 1.411 3.255 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -84.31 -21.16 31.1 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 119.897 1.226 . . . . 0.0 110.396 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.47 -33.28 66.9 Favored 'General case' 0 C--N 1.388 2.256 0 CA-C-N 113.948 -1.478 . . . . 0.0 112.49 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.15 -9.12 59.03 Favored 'General case' 0 C--N 1.392 2.452 0 C-N-CA 124.168 0.987 . . . . 0.0 112.779 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.495 1.783 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 . . . . . 0 N--CA 1.507 2.403 0 CA-C-O 120.704 0.287 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 72.8 mt -71.04 -28.68 64.56 Favored 'General case' 0 C--N 1.384 2.1 0 C-N-CA 126.366 1.866 . . . . 0.0 111.684 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -69.31 -33.3 72.96 Favored 'General case' 0 C--N 1.379 1.891 0 C-N-CA 124.6 1.16 . . . . 0.0 110.957 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.17 -38.29 87.71 Favored 'General case' 0 C--N 1.393 2.469 0 C-N-CA 126.083 1.753 . . . . 0.0 111.164 174.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 7.5 mpt_? -71.88 -48.78 43.38 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 124.438 1.095 . . . . 0.0 111.029 175.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.95 -60.84 2.91 Favored 'General case' 0 CA--C 1.604 3.031 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.67 -43.3 18.72 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 41.8 mt-10 -72.15 -32.65 67.08 Favored 'General case' 0 N--CA 1.51 2.525 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.493 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.0 m-85 -67.2 -40.0 86.42 Favored 'General case' 0 C--N 1.394 2.509 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.693 177.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -66.5 -39.33 88.66 Favored 'General case' 0 C--N 1.393 2.472 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.63 -42.59 86.5 Favored 'General case' 0 N--CA 1.522 3.168 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -69.61 -36.51 76.25 Favored 'General case' 0 N--CA 1.507 2.379 0 C-N-CA 124.324 1.05 . . . . 0.0 112.387 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -70.96 -27.73 63.95 Favored 'General case' 0 C--N 1.38 1.928 0 C-N-CA 124.952 1.301 . . . . 0.0 112.078 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -66.6 -45.55 78.82 Favored 'General case' 0 N--CA 1.506 2.36 0 C-N-CA 125.643 1.577 . . . . 0.0 114.33 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -72.88 -39.24 66.6 Favored 'General case' 0 N--CA 1.511 2.621 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 176.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.24 -33.16 71.9 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 123.779 0.674 . . . . 0.0 110.354 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.423 HD11 HD11 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -70.83 -33.9 71.14 Favored 'General case' 0 C--N 1.38 1.9 0 C-N-CA 125.111 1.364 . . . . 0.0 112.535 175.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.75 92.04 Favored 'General case' 0 C--N 1.41 3.196 0 C-N-CA 125.61 1.564 . . . . 0.0 111.639 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.38 -38.96 92.87 Favored 'General case' 0 C--N 1.388 2.26 0 O-C-N 125.081 1.488 . . . . 0.0 110.42 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -69.5 -36.51 76.56 Favored 'General case' 0 C--N 1.388 2.265 0 C-N-CA 124.863 1.265 . . . . 0.0 110.361 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -65.54 -37.74 87.59 Favored 'General case' 0 C--N 1.398 2.691 0 C-N-CA 125.12 1.368 . . . . 0.0 114.341 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.12 -40.01 82.62 Favored 'General case' 0 N--CA 1.509 2.492 0 C-N-CA 124.297 1.039 . . . . 0.0 111.614 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -76.04 -23.01 55.09 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 124.579 1.152 . . . . 0.0 112.532 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -71.92 -34.62 69.23 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 125.534 1.533 . . . . 0.0 111.021 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -66.92 -39.19 87.3 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 124.94 1.296 . . . . 0.0 110.385 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -69.41 -36.55 76.83 Favored 'General case' 0 C--N 1.389 2.303 0 C-N-CA 125.125 1.37 . . . . 0.0 111.894 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -69.23 -35.69 76.42 Favored 'General case' 0 C--N 1.394 2.533 0 C-N-CA 124.765 1.226 . . . . 0.0 111.748 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.6 91.67 Favored 'General case' 0 CA--C 1.571 1.757 0 C-N-CA 125.174 1.39 . . . . 0.0 113.43 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -90.51 -39.31 12.66 Favored 'General case' 0 C--N 1.385 2.143 0 N-CA-C 116.312 1.967 . . . . 0.0 116.312 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -107.39 -30.33 8.74 Favored 'General case' 0 C--N 1.395 2.56 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -174.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 39.6 m80 56.35 28.4 13.42 Favored 'General case' 0 N--CA 1.531 3.601 0 C-N-CA 127.444 2.297 . . . . 0.0 116.349 -178.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.16 142.23 59.06 Favored Pre-proline 0 N--CA 1.503 2.189 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.49 -14.44 35.19 Favored 'Trans proline' 1 C--N 1.435 5.124 0 C-N-CA 124.199 3.266 . . . . 0.0 116.619 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -69.34 -37.53 77.71 Favored 'General case' 0 N--CA 1.529 3.48 0 C-N-CA 124.653 1.181 . . . . 0.0 113.218 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -29.74 47.62 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 126.505 1.922 . . . . 0.0 109.858 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.53 76.14 Favored 'General case' 0 C--N 1.377 1.803 0 C-N-CA 126.801 2.041 . . . . 0.0 110.108 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.02 -34.06 72.79 Favored 'General case' 0 C--N 1.379 1.881 0 C-N-CA 124.223 1.009 . . . . 0.0 110.644 173.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.27 -42.55 65.44 Favored 'General case' 0 N--CA 1.512 2.654 0 C-N-CA 125.311 1.444 . . . . 0.0 114.538 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.7 mt -67.56 -42.72 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.282 0 C-N-CA 125.082 1.353 . . . . 0.0 109.117 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.5 m -62.54 -42.09 99.31 Favored 'General case' 0 CA--C 1.589 2.454 0 C-N-CA 125.945 1.698 . . . . 0.0 111.467 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.46 94.79 Favored 'General case' 0 N--CA 1.514 2.741 0 C-N-CA 124.687 1.195 . . . . 0.0 112.131 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 22.9 mt -72.67 -27.62 62.21 Favored 'General case' 0 C--N 1.38 1.915 0 C-N-CA 125.156 1.383 . . . . 0.0 111.882 176.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -35.5 81.06 Favored 'General case' 0 C--N 1.392 2.425 0 C-N-CA 125.874 1.669 . . . . 0.0 112.182 177.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -75.28 -35.94 61.26 Favored 'General case' 0 C--N 1.389 2.32 0 C-N-CA 124.563 1.145 . . . . 0.0 109.994 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -71.12 -34.86 71.46 Favored 'General case' 0 C--N 1.387 2.196 0 C-N-CA 125.53 1.532 . . . . 0.0 112.744 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.37 -38.36 90.75 Favored 'General case' 0 C--N 1.379 1.864 0 C-N-CA 124.876 1.27 . . . . 0.0 109.985 174.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.3 p -76.9 -37.92 54.51 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 123.841 0.713 . . . . 0.0 112.377 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -71.28 -33.99 70.27 Favored 'General case' 0 N--CA 1.514 2.77 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 78.5 m -71.25 -38.78 71.91 Favored 'General case' 0 C--N 1.386 2.179 0 C-N-CA 123.935 0.894 . . . . 0.0 110.771 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -59.88 -37.15 78.52 Favored 'General case' 0 C--N 1.396 2.589 0 C-N-CA 125.772 1.629 . . . . 0.0 112.384 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 14.1 m -67.95 -40.52 83.22 Favored 'General case' 0 CA--C 1.58 2.134 0 C-N-CA 125.529 1.532 . . . . 0.0 110.515 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.25 -37.36 80.69 Favored 'General case' 0 C--N 1.381 1.947 0 C-N-CA 126.266 1.826 . . . . 0.0 112.677 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 34.3 mt -67.31 -41.75 86.84 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.01 0 C-N-CA 126.391 1.877 . . . . 0.0 110.091 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.64 97.45 Favored 'General case' 0 C--N 1.388 2.273 0 C-N-CA 124.771 1.228 . . . . 0.0 113.551 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.53 -39.66 85.04 Favored 'General case' 0 N--CA 1.515 2.782 0 C-N-CA 125.151 1.38 . . . . 0.0 113.585 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 14.8 p -71.38 -32.39 68.43 Favored 'General case' 0 N--CA 1.509 2.523 0 C-N-CA 124.436 1.095 . . . . 0.0 112.085 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -71.96 -29.09 63.9 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 124.673 1.189 . . . . 0.0 111.583 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.82 -32.13 70.4 Favored 'General case' 0 N--CA 1.512 2.632 0 C-N-CA 125.208 1.403 . . . . 0.0 112.088 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.17 72.39 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 124.936 1.294 . . . . 0.0 111.448 175.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 2.1 mp -78.22 -32.31 49.76 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 125.743 1.617 . . . . 0.0 112.044 177.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -71.57 -30.86 66.33 Favored 'General case' 0 N--CA 1.515 2.796 0 C-N-CA 126.158 1.783 . . . . 0.0 113.664 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? . . . . . 0 C--N 1.389 2.283 0 C-N-CA 127.955 2.502 . . . . 0.0 113.853 -178.629 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo . . . . . 0 N--CA 1.525 3.35 0 N-CA-C 116.85 1.827 . . . . 0.0 116.85 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.96 -35.24 24.13 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 123.957 0.903 . . . . 0.0 111.548 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -36.21 53.57 Favored 'General case' 0 C--N 1.375 1.695 0 C-N-CA 125.338 1.455 . . . . 0.0 112.154 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -29.9 65.6 Favored 'General case' 0 C--N 1.378 1.847 0 C-N-CA 124.387 1.075 . . . . 0.0 110.295 177.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.52 -40.79 93.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 124.736 1.272 . . . . 0.0 111.75 176.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -70.08 -40.66 74.85 Favored 'General case' 0 C--N 1.387 2.209 0 C-N-CA 123.806 0.842 . . . . 0.0 110.984 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.33 -44.63 88.75 Favored 'General case' 0 C--N 1.386 2.164 0 O-C-N 124.409 1.068 . . . . 0.0 112.073 173.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -66.17 -39.28 89.64 Favored 'General case' 0 C--N 1.399 2.733 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -70.12 -38.73 75.64 Favored 'General case' 0 C--N 1.378 1.814 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.701 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -61.45 -32.87 72.86 Favored 'General case' 0 N--CA 1.503 2.189 0 C-N-CA 124.101 0.96 . . . . 0.0 111.756 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.2 t -75.12 -46.31 39.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 C-N-CA 125.526 1.53 . . . . 0.0 111.486 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -29.02 66.97 Favored 'General case' 0 N--CA 1.507 2.407 0 C-N-CA 124.058 0.943 . . . . 0.0 111.541 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.49 -39.54 81.27 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 125.609 1.564 . . . . 0.0 110.928 171.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.92 -39.19 69.65 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 124.612 1.165 . . . . 0.0 111.18 178.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -61.07 -38.59 86.77 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 126.973 2.109 . . . . 0.0 112.185 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.94 -30.76 67.15 Favored 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 123.421 0.688 . . . . 0.0 112.277 176.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.4 mp -79.33 -22.46 44.5 Favored 'General case' 0 N--CA 1.505 2.322 0 C-N-CA 125.636 1.574 . . . . 0.0 112.588 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.416 ' O ' HG22 ' A' ' 21' ' ' ILE . 38.7 mt -109.33 16.8 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.271 0 C-N-CA 128.089 2.556 . . . . 0.0 108.011 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.67 -76.03 0.33 Allowed Glycine 0 C--N 1.368 2.313 0 CA-C-O 116.835 -2.092 . . . . 0.0 113.786 -175.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -67.99 -2.1 8.15 Favored 'Trans proline' 0 C--N 1.412 3.914 0 CA-C-N 122.2 3.0 . . . . 0.0 116.842 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.64 -20.41 27.87 Favored 'General case' 0 N--CA 1.51 2.551 0 C-N-CA 125.201 1.4 . . . . 0.0 112.501 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.508 2.462 0 C-N-CA 128.257 2.623 . . . . 0.0 116.602 178.22 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 122.161 0.982 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -82.71 6.3 18.47 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 113.583 -1.644 . . . . 0.0 113.827 -176.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -79.62 -26.71 41.11 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 123.862 0.865 . . . . 0.0 110.454 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mt -100.03 -6.52 26.34 Favored 'General case' 0 C--N 1.391 2.412 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -119.43 155.26 32.35 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.57 109.16 13.43 Favored 'General case' 0 C--N 1.386 2.157 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.8 t -152.71 138.37 17.83 Favored 'General case' 0 C--O 1.252 1.218 0 CA-C-N 113.758 -1.564 . . . . 0.0 108.901 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -82.6 -31.52 28.87 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 113.927 -1.488 . . . . 0.0 112.889 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.84 79.3 1.33 Allowed Glycine 0 C--N 1.378 2.887 0 N-CA-C 107.557 -2.217 . . . . 0.0 107.557 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.9 -52.8 1.33 Allowed 'General case' 0 C--N 1.38 1.907 0 CA-C-O 121.083 0.468 . . . . 0.0 110.197 -173.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 45.4 ttt180 -175.88 173.18 2.34 Favored 'General case' 0 C--N 1.412 3.313 0 C-N-CA 126.891 2.076 . . . . 0.0 112.448 -174.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.02 -22.03 64.09 Favored 'General case' 0 N--CA 1.535 3.795 0 C-N-CA 125.779 1.632 . . . . 0.0 107.758 169.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.43 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.92 -34.39 78.24 Favored Glycine 0 C--N 1.38 2.99 0 C-N-CA 126.815 2.15 . . . . 0.0 114.443 176.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -21.07 57.79 Favored 'General case' 0 C--N 1.393 2.479 0 CA-C-N 117.65 0.725 . . . . 0.0 111.462 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -82.36 -31.88 29.57 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 114.495 -1.229 . . . . 0.0 110.764 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.44 -35.02 58.73 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 124.8 1.24 . . . . 0.0 111.707 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.45 -38.38 74.48 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 125.289 1.436 . . . . 0.0 111.176 176.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.32 -32.16 68.26 Favored 'General case' 0 C--N 1.388 2.281 0 C-N-CA 123.45 0.7 . . . . 0.0 111.604 177.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.04 71.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 125.229 1.581 . . . . 0.0 111.759 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.09 -36.41 72.19 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 123.389 0.676 . . . . 0.0 111.579 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -72.36 -26.28 61.85 Favored 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 125.59 1.556 . . . . 0.0 112.473 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.9 m -80.32 -29.32 38.09 Favored 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 123.799 0.84 . . . . 0.0 109.751 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mp -73.23 -41.99 63.09 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 125.268 1.427 . . . . 0.0 111.023 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.7 p -72.57 -34.98 67.84 Favored 'General case' 0 N--CA 1.506 2.354 0 C-N-CA 125.687 1.595 . . . . 0.0 113.608 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -77.25 -36.66 54.27 Favored 'General case' 0 N--CA 1.51 2.527 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.03 -30.77 65.52 Favored 'General case' 0 C--N 1.389 2.293 0 C-N-CA 124.811 1.244 . . . . 0.0 111.918 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.5 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -68.79 -32.94 73.03 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 125.684 1.593 . . . . 0.0 111.965 176.447 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.75 -41.07 92.59 Favored 'General case' 0 C--N 1.382 2.01 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.748 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.72 -29.82 70.4 Favored 'General case' 0 C--N 1.395 2.553 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 175.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 61' ' ' GLU . 17.2 m -69.28 -30.71 46.94 Favored 'Isoleucine or valine' 0 C--N 1.391 2.405 0 CA-C-O 121.927 0.87 . . . . 0.0 111.331 178.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -74.62 -9.99 59.1 Favored 'General case' 0 CA--C 1.579 2.06 0 CA-C-N 112.462 -2.154 . . . . 0.0 111.52 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -94.48 -10.17 33.16 Favored 'General case' 0 N--CA 1.5 2.066 0 C-N-CA 125.233 1.413 . . . . 0.0 110.779 175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.65 39.3 8.28 Favored Glycine 0 C--N 1.38 3.007 0 N-CA-C 117.487 1.755 . . . . 0.0 117.487 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.28 93.9 5.06 Favored 'General case' 0 C--N 1.372 1.583 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 176.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.98 -22.42 61.43 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 113.535 -1.666 . . . . 0.0 112.3 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.5 m -70.52 -35.5 73.22 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 125.459 1.504 . . . . 0.0 109.811 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -76.23 -20.97 56.94 Favored 'General case' 0 C--N 1.391 2.407 0 C-N-CA 123.681 0.792 . . . . 0.0 111.603 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.9 t -74.48 -51.13 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 C-N-CA 126.54 1.936 . . . . 0.0 109.407 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.01 80.13 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 126.947 2.099 . . . . 0.0 112.71 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -46.24 87.35 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.151 1.38 . . . . 0.0 109.292 173.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.25 -39.01 92.11 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 124.589 1.18 . . . . 0.0 111.831 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.45 95.54 Favored 'General case' 0 N--CA 1.513 2.711 0 C-N-CA 124.487 1.115 . . . . 0.0 112.105 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.16 -37.92 75.32 Favored 'General case' 0 N--CA 1.516 2.829 0 C-N-CA 126.324 1.849 . . . . 0.0 111.366 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -72.0 -28.81 63.65 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 125.461 1.504 . . . . 0.0 110.714 174.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.91 -46.38 65.52 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 124.452 1.101 . . . . 0.0 111.693 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.517 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.05 -39.12 83.11 Favored 'General case' 0 C--N 1.386 2.186 0 C-N-CA 124.847 1.259 . . . . 0.0 112.669 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.41 85.89 Favored 'General case' 0 C--N 1.385 2.112 0 C-N-CA 125.999 1.72 . . . . 0.0 112.368 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -73.81 -27.35 61.08 Favored 'General case' 0 C--N 1.378 1.827 0 C-N-CA 123.779 0.832 . . . . 0.0 112.743 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 80' ' ' ALA . 29.7 mt -62.94 -45.67 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.75 -43.09 94.42 Favored 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 124.893 1.277 . . . . 0.0 111.872 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.29 -42.77 62.03 Favored 'General case' 0 C--N 1.378 1.832 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.06 -44.52 12.22 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -175.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 10.4 mt-30 -66.69 -39.58 88.15 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 123.63 0.581 . . . . 0.0 112.115 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.33 -39.86 31.72 Favored 'General case' 0 C--N 1.386 2.167 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -76.35 -29.39 57.21 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 119.084 0.856 . . . . 0.0 110.841 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.36 -26.67 55.91 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 124.192 0.997 . . . . 0.0 109.129 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.39 -31.93 67.85 Favored 'General case' 0 C--N 1.41 3.221 0 C-N-CA 124.393 1.077 . . . . 0.0 113.117 177.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.7 p -85.58 -21.65 28.41 Favored 'General case' 0 C--N 1.382 1.989 0 CA-C-N 119.131 0.878 . . . . 0.0 110.07 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.96 -29.18 55.46 Favored 'General case' 0 C--N 1.386 2.184 0 CA-C-N 113.939 -1.482 . . . . 0.0 112.113 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 p -77.32 -10.86 59.7 Favored 'General case' 0 N--CA 1.515 2.825 0 C-N-CA 125.942 1.697 . . . . 0.0 112.281 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 N--CA 1.496 1.833 0 C-N-CA 127.532 2.333 . . . . 0.0 109.657 176.489 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 . . . . . 0 CA--C 1.565 1.525 0 CA-C-O 119.206 -0.426 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.94 -38.65 86.54 Favored 'General case' 0 C--N 1.403 2.905 0 C-N-CA 123.992 0.917 . . . . 0.0 112.522 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -67.62 -35.38 78.82 Favored 'General case' 0 N--CA 1.501 2.104 0 C-N-CA 125.4 1.48 . . . . 0.0 109.794 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -67.92 -36.57 80.38 Favored 'General case' 0 C--N 1.388 2.276 0 C-N-CA 125.873 1.669 . . . . 0.0 111.651 174.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.527 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 5.2 mpt_? -74.28 -49.34 23.53 Favored 'General case' 0 C--N 1.375 1.702 0 C-N-CA 123.537 0.735 . . . . 0.0 111.253 176.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.45 -60.04 4.12 Favored 'General case' 0 CA--C 1.599 2.836 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.08 -42.63 18.94 Favored 'General case' 0 C--N 1.384 2.093 0 N-CA-C 116.704 2.113 . . . . 0.0 116.704 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 42.4 mt-10 -72.23 -33.82 67.86 Favored 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.527 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 5.3 m-85 -66.28 -41.93 89.13 Favored 'General case' 0 C--N 1.393 2.463 0 CA-C-O 118.549 -0.739 . . . . 0.0 112.07 177.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -71.1 -30.97 67.21 Favored 'General case' 0 C--N 1.394 2.525 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.93 -42.04 73.8 Favored 'General case' 0 N--CA 1.521 3.085 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -71.64 -35.22 70.33 Favored 'General case' 0 N--CA 1.507 2.412 0 C-N-CA 124.366 1.066 . . . . 0.0 112.039 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 28.3 mt-10 -73.2 -22.21 60.51 Favored 'General case' 0 C--N 1.383 2.058 0 C-N-CA 125.106 1.362 . . . . 0.0 111.961 177.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -69.12 -50.72 45.47 Favored 'General case' 0 N--CA 1.506 2.375 0 C-N-CA 125.905 1.682 . . . . 0.0 113.56 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.23 -37.92 69.05 Favored 'General case' 0 N--CA 1.509 2.484 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 152' ' ' LEU . 20.4 mt -61.13 -33.52 73.52 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 123.646 0.591 . . . . 0.0 110.543 174.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -70.35 -34.28 72.45 Favored 'General case' 0 C--N 1.379 1.877 0 C-N-CA 125.03 1.332 . . . . 0.0 111.917 175.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.74 90.19 Favored 'General case' 0 C--N 1.408 3.11 0 C-N-CA 125.688 1.595 . . . . 0.0 112.611 -177.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.4 mtt -64.16 -39.73 94.62 Favored 'General case' 0 C--N 1.389 2.302 0 O-C-N 124.878 1.361 . . . . 0.0 110.482 176.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -69.04 -37.3 78.51 Favored 'General case' 0 C--N 1.385 2.119 0 C-N-CA 125.014 1.326 . . . . 0.0 110.974 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -65.03 -38.68 91.68 Favored 'General case' 0 C--N 1.4 2.762 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.81 -39.48 80.04 Favored 'General case' 0 N--CA 1.509 2.501 0 C-N-CA 124.415 1.086 . . . . 0.0 111.546 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -74.16 -24.83 59.46 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 124.764 1.225 . . . . 0.0 112.315 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -71.94 -34.46 69.03 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 125.59 1.556 . . . . 0.0 111.176 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -67.0 -38.64 86.36 Favored 'General case' 0 C--N 1.388 2.252 0 C-N-CA 125.129 1.372 . . . . 0.0 110.444 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -72.22 -32.86 67.14 Favored 'General case' 0 C--N 1.387 2.238 0 C-N-CA 124.673 1.189 . . . . 0.0 111.993 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -69.41 -37.06 77.31 Favored 'General case' 0 C--N 1.391 2.41 0 C-N-CA 124.794 1.238 . . . . 0.0 111.395 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.46 86.54 Favored 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 125.323 1.449 . . . . 0.0 113.418 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -90.71 -39.63 12.32 Favored 'General case' 0 C--N 1.387 2.231 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -106.97 -29.88 9.18 Favored 'General case' 0 C--N 1.398 2.677 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -174.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 56.48 26.94 11.47 Favored 'General case' 0 N--CA 1.532 3.671 0 C-N-CA 127.594 2.358 . . . . 0.0 116.468 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.74 137.72 58.3 Favored Pre-proline 0 N--CA 1.503 2.208 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.4 -14.33 15.79 Favored 'Trans proline' 1 C--N 1.436 5.14 0 C-N-CA 124.709 3.606 . . . . 0.0 116.776 177.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -68.45 -37.92 80.65 Favored 'General case' 0 N--CA 1.527 3.402 0 C-N-CA 124.341 1.056 . . . . 0.0 113.294 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -78.09 -29.19 48.92 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 126.887 2.075 . . . . 0.0 110.002 -179.194 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.8 77.97 Favored 'General case' 0 C--N 1.378 1.807 0 C-N-CA 126.671 1.988 . . . . 0.0 110.045 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.7 -33.52 70.97 Favored 'General case' 0 C--N 1.381 1.969 0 C-N-CA 124.138 0.975 . . . . 0.0 110.82 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -72.12 -42.65 65.81 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 125.107 1.363 . . . . 0.0 114.264 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.1 mt -66.32 -43.32 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.22 0 C-N-CA 125.629 1.571 . . . . 0.0 109.06 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 23.0 m -63.12 -41.0 99.24 Favored 'General case' 0 CA--C 1.59 2.505 0 C-N-CA 126.026 1.73 . . . . 0.0 111.43 177.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.18 93.43 Favored 'General case' 0 N--CA 1.513 2.69 0 C-N-CA 124.655 1.182 . . . . 0.0 112.165 175.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.28 -26.39 60.17 Favored 'General case' 0 C--N 1.381 1.976 0 C-N-CA 124.774 1.23 . . . . 0.0 111.845 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.06 -37.36 87.17 Favored 'General case' 0 C--N 1.394 2.517 0 C-N-CA 125.999 1.719 . . . . 0.0 112.425 176.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -75.09 -35.13 61.8 Favored 'General case' 0 C--N 1.389 2.291 0 C-N-CA 124.874 1.27 . . . . 0.0 110.091 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -71.51 -33.66 69.43 Favored 'General case' 0 C--N 1.385 2.123 0 C-N-CA 125.093 1.357 . . . . 0.0 113.121 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -66.94 -38.13 85.58 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 124.923 1.289 . . . . 0.0 109.934 174.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.5 p -76.6 -37.07 57.03 Favored 'General case' 0 N--CA 1.5 2.065 0 C-N-CA 123.38 0.672 . . . . 0.0 112.303 176.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -73.0 -28.33 62.3 Favored 'General case' 0 N--CA 1.512 2.673 0 C-N-CA 124.139 0.976 . . . . 0.0 113.177 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 8.7 t -73.24 -41.03 64.18 Favored 'General case' 0 C--N 1.384 2.107 0 C-N-CA 123.994 0.918 . . . . 0.0 109.35 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -59.53 -38.0 79.85 Favored 'General case' 0 C--N 1.394 2.514 0 C-N-CA 125.487 1.515 . . . . 0.0 112.257 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.4 m -68.93 -41.37 78.21 Favored 'General case' 0 CA--C 1.58 2.13 0 C-N-CA 125.422 1.489 . . . . 0.0 110.565 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.52 -38.37 84.17 Favored 'General case' 0 C--N 1.38 1.92 0 C-N-CA 126.326 1.851 . . . . 0.0 112.859 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 37.1 mt -66.51 -42.14 89.66 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.898 0 C-N-CA 126.268 1.827 . . . . 0.0 110.12 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.11 93.66 Favored 'General case' 0 C--N 1.391 2.384 0 C-N-CA 124.627 1.171 . . . . 0.0 112.924 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.85 -39.32 87.56 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 125.435 1.494 . . . . 0.0 112.981 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 18.0 p -70.99 -29.76 65.82 Favored 'General case' 0 N--CA 1.511 2.581 0 C-N-CA 124.304 1.042 . . . . 0.0 112.033 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.41 -28.59 63.07 Favored 'General case' 0 C--N 1.381 1.978 0 C-N-CA 124.861 1.264 . . . . 0.0 111.538 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.82 -35.35 76.87 Favored 'General case' 0 N--CA 1.512 2.667 0 C-N-CA 125.227 1.411 . . . . 0.0 111.92 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.31 72.19 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 124.713 1.205 . . . . 0.0 110.211 175.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.03 -30.17 63.54 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 125.501 1.52 . . . . 0.0 111.934 176.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -66.79 -35.13 79.37 Favored 'General case' 0 N--CA 1.508 2.443 0 C-N-CA 126.245 1.818 . . . . 0.0 112.897 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 . . . . . 0 C--N 1.383 2.029 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -177.76 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo . . . . . 0 N--CA 1.525 3.342 0 N-CA-C 114.632 0.974 . . . . 0.0 114.632 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.74 -48.25 4.78 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 123.623 0.769 . . . . 0.0 112.063 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -36.91 59.51 Favored 'General case' 0 C--N 1.377 1.773 0 C-N-CA 125.112 1.365 . . . . 0.0 112.585 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.83 -32.46 70.88 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 124.448 1.099 . . . . 0.0 110.14 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -68.22 -35.83 78.57 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 124.341 1.025 . . . . 0.0 111.467 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.6 m -72.44 -41.23 66.37 Favored 'General case' 0 C--N 1.383 2.037 0 C-N-CA 123.811 0.844 . . . . 0.0 110.972 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.29 -44.55 88.54 Favored 'General case' 0 C--N 1.389 2.306 0 O-C-N 124.333 1.021 . . . . 0.0 112.244 173.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -65.21 -39.79 93.26 Favored 'General case' 0 C--N 1.399 2.721 0 C-N-CA 125.159 1.384 . . . . 0.0 114.648 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -69.66 -38.22 77.01 Favored 'General case' 0 C--N 1.376 1.743 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.588 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.07 -29.3 70.21 Favored 'General case' 0 N--CA 1.509 2.522 0 C-N-CA 124.37 1.068 . . . . 0.0 112.292 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.7 t -76.67 -46.66 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.407 0 C-N-CA 125.306 1.442 . . . . 0.0 110.999 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.82 -29.95 67.34 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 123.642 0.777 . . . . 0.0 111.512 176.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.77 -39.62 87.93 Favored 'General case' 0 N--CA 1.512 2.67 0 C-N-CA 125.9 1.68 . . . . 0.0 110.436 172.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -34.98 68.71 Favored 'General case' 0 C--N 1.38 1.928 0 C-N-CA 124.361 1.064 . . . . 0.0 110.84 177.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -60.66 -41.28 94.69 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 127.109 2.164 . . . . 0.0 111.568 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.51 -15.76 58.25 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 124.827 1.251 . . . . 0.0 114.097 178.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.7 -17.13 18.72 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 125.217 1.407 . . . . 0.0 109.547 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.33 16.56 7.96 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.63 0 C-N-CA 126.702 2.001 . . . . 0.0 111.011 177.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.69 -75.46 0.45 Allowed Glycine 0 C--N 1.367 2.298 0 CA-C-O 116.575 -2.236 . . . . 0.0 113.857 -172.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -68.84 -3.15 10.8 Favored 'Trans proline' 1 C--N 1.421 4.362 0 CA-C-N 122.447 3.124 . . . . 0.0 115.1 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -88.9 -11.08 45.58 Favored 'General case' 0 C--N 1.383 2.04 0 C-N-CA 126.059 1.744 . . . . 0.0 112.457 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.608 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.501 2.098 0 C-N-CA 126.544 1.937 . . . . 0.0 115.428 177.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 122.534 1.159 . . . . 0.0 112.02 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -74.54 -33.73 62.81 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 113.369 -1.742 . . . . 0.0 113.767 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -77.14 -24.39 51.63 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.834 1.253 . . . . 0.0 113.146 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.56 -6.29 40.69 Favored 'General case' 0 C--N 1.384 2.076 0 C-N-CA 122.854 0.462 . . . . 0.0 111.967 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -119.01 154.03 33.72 Favored 'General case' 0 C--N 1.381 1.943 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.43 113.74 19.19 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.7 t -136.3 156.32 48.82 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 114.867 -1.061 . . . . 0.0 109.854 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -105.83 47.39 0.88 Allowed 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -176.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.22 -69.55 0.47 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 118.174 2.03 . . . . 0.0 118.174 170.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -173.22 64.9 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 119.202 1.501 . . . . 0.0 110.051 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -139.93 137.35 34.71 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.608 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 2.0 mt -70.92 -26.1 63.06 Favored 'General case' 0 N--CA 1.524 3.264 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 170.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.06 -36.62 92.59 Favored Glycine 0 C--N 1.384 3.236 0 C-N-CA 125.73 1.633 . . . . 0.0 114.088 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.43 -21.75 45.13 Favored 'General case' 0 C--N 1.394 2.536 0 C-N-CA 123.318 0.647 . . . . 0.0 111.734 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -81.75 -32.36 31.54 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.223 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.37 -36.0 54.02 Favored 'General case' 0 C--N 1.377 1.801 0 C-N-CA 124.776 1.23 . . . . 0.0 112.504 178.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.33 -34.86 70.93 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.485 1.514 . . . . 0.0 112.187 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -81.0 -28.88 35.32 Favored 'General case' 0 C--N 1.378 1.835 0 C-N-CA 123.618 0.767 . . . . 0.0 110.686 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.97 -38.57 66.67 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 124.903 1.377 . . . . 0.0 111.582 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.08 -38.01 78.77 Favored 'General case' 0 CA--C 1.575 1.916 0 C-N-CA 124.504 1.122 . . . . 0.0 110.243 175.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -72.86 -25.96 61.29 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 126.087 1.755 . . . . 0.0 112.83 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.3 m -79.51 -28.74 41.37 Favored 'General case' 0 N--CA 1.503 2.202 0 C-N-CA 123.844 0.858 . . . . 0.0 109.812 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -41.83 65.16 Favored 'General case' 0 C--N 1.383 2.053 0 C-N-CA 124.655 1.182 . . . . 0.0 110.525 176.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.4 p -71.47 -32.39 68.24 Favored 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 125.675 1.59 . . . . 0.0 113.84 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -77.83 -41.9 35.5 Favored 'General case' 0 N--CA 1.516 2.869 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.63 -34.64 78.33 Favored 'General case' 0 C--N 1.389 2.306 0 C-N-CA 124.603 1.161 . . . . 0.0 110.991 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.468 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 4.8 mt-10 -65.17 -32.4 74.07 Favored 'General case' 0 C--N 1.388 2.247 0 C-N-CA 126.135 1.774 . . . . 0.0 112.298 176.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.3 94.27 Favored 'General case' 0 C--N 1.388 2.278 0 C-N-CA 124.095 0.958 . . . . 0.0 112.944 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.14 -29.97 65.9 Favored 'General case' 0 N--CA 1.51 2.556 0 C-N-CA 123.122 0.569 . . . . 0.0 112.117 174.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 52.4 t -60.6 -39.54 81.76 Favored 'Isoleucine or valine' 0 C--N 1.38 1.92 0 C-N-CA 126.581 1.952 . . . . 0.0 110.187 175.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -54.87 -31.95 60.31 Favored 'General case' 0 C--N 1.393 2.495 0 C-N-CA 125.015 1.326 . . . . 0.0 113.104 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -69.41 -37.73 77.59 Favored 'General case' 0 C--N 1.399 2.761 0 C-N-CA 125.569 1.548 . . . . 0.0 112.062 176.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.3 32.19 2.84 Favored Glycine 0 C--N 1.375 2.711 0 N-CA-C 116.136 1.214 . . . . 0.0 116.136 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.26 112.62 21.56 Favored 'General case' 0 C--N 1.378 1.83 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.34 68.13 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 112.959 -1.928 . . . . 0.0 113.03 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.5 m -71.92 -38.23 69.91 Favored 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 124.695 1.198 . . . . 0.0 110.969 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -75.42 -22.93 57.0 Favored 'General case' 0 N--CA 1.508 2.443 0 C-N-CA 123.966 0.906 . . . . 0.0 112.279 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.2 t -77.05 -47.16 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 125.549 1.54 . . . . 0.0 109.802 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.8 -37.11 81.57 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 127.285 2.234 . . . . 0.0 112.673 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.03 -40.16 94.42 Favored 'General case' 0 N--CA 1.5 2.032 0 C-N-CA 126.299 1.84 . . . . 0.0 109.99 173.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 tt -72.72 -38.55 67.42 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 124.908 1.283 . . . . 0.0 109.64 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.17 98.02 Favored 'General case' 0 N--CA 1.511 2.583 0 C-N-CA 124.873 1.269 . . . . 0.0 112.537 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.74 -37.8 70.52 Favored 'General case' 0 N--CA 1.514 2.773 0 C-N-CA 125.888 1.675 . . . . 0.0 111.292 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -69.21 -35.65 76.43 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 125.001 1.32 . . . . 0.0 109.6 173.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.66 -45.87 81.29 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 124.703 1.201 . . . . 0.0 112.429 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.22 -40.72 82.01 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 125.079 1.352 . . . . 0.0 112.666 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.15 81.93 Favored 'General case' 0 C--N 1.39 2.342 0 C-N-CA 125.956 1.702 . . . . 0.0 112.022 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -73.64 -27.1 61.09 Favored 'General case' 0 C--N 1.375 1.688 0 C-N-CA 123.651 0.78 . . . . 0.0 112.559 176.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 32.9 mt -63.34 -46.1 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.527 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.0 mt-10 -66.27 -44.92 82.26 Favored 'General case' 0 N--CA 1.505 2.305 0 C-N-CA 124.802 1.241 . . . . 0.0 112.097 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.64 -44.44 56.89 Favored 'General case' 0 C--N 1.378 1.847 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.2 mp -86.22 -42.98 13.35 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 32.4 mt-30 -68.19 -37.88 81.39 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 123.795 0.684 . . . . 0.0 112.059 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.9 mtt180 -79.14 -36.09 41.06 Favored 'General case' 0 C--N 1.391 2.379 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 178.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -76.71 -26.64 54.91 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 119.367 0.985 . . . . 0.0 110.0 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.86 -28.13 55.33 Favored 'General case' 0 C--N 1.389 2.287 0 C-N-CA 124.406 1.082 . . . . 0.0 109.135 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.36 -29.37 63.73 Favored 'General case' 0 C--N 1.406 3.045 0 C-N-CA 125.303 1.441 . . . . 0.0 112.683 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 p -85.66 -22.57 27.85 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 124.664 1.186 . . . . 0.0 109.712 175.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.58 -27.48 51.37 Favored 'General case' 0 C--N 1.389 2.291 0 C-N-CA 125.458 1.503 . . . . 0.0 111.897 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.6 p -78.02 -11.23 59.89 Favored 'General case' 0 N--CA 1.514 2.741 0 C-N-CA 125.894 1.678 . . . . 0.0 111.725 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.1 tt . . . . . 0 N--CA 1.492 1.643 0 C-N-CA 127.021 2.129 . . . . 0.0 109.242 177.225 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 N--CA 1.503 2.178 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 59.9 mt -74.63 -35.63 62.9 Favored 'General case' 0 C--N 1.377 1.804 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -68.17 -37.75 81.33 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 124.788 1.235 . . . . 0.0 111.331 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.85 82.13 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.52 1.528 . . . . 0.0 111.441 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 4.5 mpt_? -73.01 -51.07 19.63 Favored 'General case' 0 C--N 1.376 1.745 0 C-N-CA 123.658 0.783 . . . . 0.0 111.45 176.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.57 -59.77 4.2 Favored 'General case' 0 CA--C 1.591 2.521 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.45 -45.77 24.68 Favored 'General case' 0 C--N 1.384 2.066 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.82 -37.6 70.32 Favored 'General case' 0 N--CA 1.509 2.522 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 18.7 m-85 -70.57 -36.85 73.84 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 123.127 0.571 . . . . 0.0 112.427 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -67.14 -39.83 86.64 Favored 'General case' 0 C--N 1.389 2.302 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.66 -41.75 83.29 Favored 'General case' 0 N--CA 1.517 2.875 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -68.92 -36.84 78.48 Favored 'General case' 0 N--CA 1.506 2.37 0 C-N-CA 124.216 1.006 . . . . 0.0 113.048 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.72 -36.78 78.88 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 124.66 1.184 . . . . 0.0 113.019 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -63.85 -42.41 97.58 Favored 'General case' 0 N--CA 1.511 2.604 0 C-N-CA 125.343 1.457 . . . . 0.0 114.753 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -72.9 -39.95 65.94 Favored 'General case' 0 N--CA 1.509 2.51 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.55 -32.93 71.97 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 123.451 0.469 . . . . 0.0 110.571 173.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -32.17 69.39 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 125.061 1.344 . . . . 0.0 112.093 176.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.45 86.6 Favored 'General case' 0 C--N 1.408 3.131 0 C-N-CA 125.475 1.51 . . . . 0.0 112.045 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.1 mtt -64.29 -38.05 89.68 Favored 'General case' 0 C--N 1.393 2.461 0 C-N-CA 125.253 1.421 . . . . 0.0 110.925 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -69.31 -35.32 75.86 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 125.64 1.576 . . . . 0.0 110.803 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -69.21 -38.67 78.7 Favored 'General case' 0 N--CA 1.51 2.548 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.76 -40.02 79.96 Favored 'General case' 0 N--CA 1.513 2.698 0 C-N-CA 124.672 1.189 . . . . 0.0 112.389 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -74.39 -20.51 60.04 Favored 'General case' 0 C--N 1.382 2.001 0 C-N-CA 124.661 1.184 . . . . 0.0 111.85 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -79.92 -26.92 39.97 Favored 'General case' 0 C--N 1.384 2.081 0 C-N-CA 124.385 1.074 . . . . 0.0 112.184 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -67.13 -38.72 86.06 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 124.529 1.132 . . . . 0.0 109.795 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.18 -36.28 74.54 Favored 'General case' 0 C--N 1.392 2.455 0 C-N-CA 124.915 1.286 . . . . 0.0 111.362 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -69.06 -34.47 75.21 Favored 'General case' 0 C--N 1.398 2.677 0 C-N-CA 124.977 1.311 . . . . 0.0 111.695 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.19 -37.5 87.52 Favored 'General case' 0 CA--C 1.57 1.737 0 C-N-CA 125.111 1.364 . . . . 0.0 112.935 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -90.71 -38.99 12.7 Favored 'General case' 0 C--N 1.388 2.279 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -107.74 -29.69 8.97 Favored 'General case' 0 C--N 1.397 2.663 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.3 m80 57.7 30.83 19.51 Favored 'General case' 0 N--CA 1.532 3.631 0 C-N-CA 127.617 2.367 . . . . 0.0 116.131 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.02 135.96 47.69 Favored Pre-proline 0 N--CA 1.499 1.977 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.08 -14.02 13.62 Favored 'Trans proline' 1 C--N 1.436 5.183 0 C-N-CA 124.919 3.746 . . . . 0.0 116.929 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -68.19 -37.59 81.09 Favored 'General case' 0 N--CA 1.527 3.408 0 C-N-CA 124.402 1.081 . . . . 0.0 113.688 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -79.0 -29.27 43.63 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 126.596 1.959 . . . . 0.0 110.044 -178.788 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.18 -36.62 77.52 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 126.828 2.051 . . . . 0.0 110.228 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.21 -32.83 70.92 Favored 'General case' 0 C--N 1.38 1.923 0 O-C-N 124.209 0.943 . . . . 0.0 110.492 172.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.44 -42.45 65.02 Favored 'General case' 0 N--CA 1.513 2.712 0 C-N-CA 125.102 1.361 . . . . 0.0 114.144 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.5 mt -65.28 -44.97 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.576 0 C-N-CA 125.205 1.402 . . . . 0.0 109.184 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.9 m -61.41 -42.54 98.9 Favored 'General case' 0 CA--C 1.587 2.381 0 C-N-CA 126.32 1.848 . . . . 0.0 111.62 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.45 97.6 Favored 'General case' 0 N--CA 1.514 2.738 0 C-N-CA 124.474 1.109 . . . . 0.0 112.549 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 14.8 mt -73.46 -28.73 62.1 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 124.895 1.278 . . . . 0.0 112.113 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -37.58 87.85 Favored 'General case' 0 C--N 1.392 2.437 0 C-N-CA 126.135 1.774 . . . . 0.0 112.384 178.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -74.25 -33.79 63.43 Favored 'General case' 0 C--N 1.386 2.189 0 C-N-CA 125.921 1.688 . . . . 0.0 109.792 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -70.16 -34.44 73.02 Favored 'General case' 0 C--N 1.386 2.171 0 C-N-CA 125.457 1.503 . . . . 0.0 112.455 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -38.69 91.91 Favored 'General case' 0 C--N 1.381 1.96 0 C-N-CA 124.27 1.028 . . . . 0.0 110.304 174.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.4 p -76.89 -39.13 52.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 123.931 0.769 . . . . 0.0 112.463 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -71.55 -36.26 70.9 Favored 'General case' 0 N--CA 1.513 2.689 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 82.7 m -71.77 -38.51 70.34 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 123.839 0.855 . . . . 0.0 111.446 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -62.42 -38.34 89.33 Favored 'General case' 0 C--N 1.394 2.5 0 C-N-CA 125.25 1.42 . . . . 0.0 112.429 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 25.3 m -69.95 -41.84 74.01 Favored 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 125.17 1.388 . . . . 0.0 111.034 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.84 -38.38 83.09 Favored 'General case' 0 C--N 1.38 1.892 0 C-N-CA 126.141 1.777 . . . . 0.0 113.102 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 20.7 mt -69.91 -40.38 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.833 0 C-N-CA 126.033 1.733 . . . . 0.0 110.228 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.91 99.68 Favored 'General case' 0 C--N 1.389 2.315 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.53 -40.91 76.62 Favored 'General case' 0 N--CA 1.512 2.65 0 C-N-CA 124.639 1.176 . . . . 0.0 113.763 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.1 p -71.57 -35.53 70.62 Favored 'General case' 0 N--CA 1.507 2.423 0 C-N-CA 124.317 1.047 . . . . 0.0 112.757 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.31 -35.56 68.66 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 124.252 1.021 . . . . 0.0 112.548 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -65.56 -38.94 91.02 Favored 'General case' 0 N--CA 1.515 2.788 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -71.77 -33.65 68.79 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 124.312 1.045 . . . . 0.0 111.037 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -77.14 -32.26 56.21 Favored 'General case' 0 C--N 1.387 2.238 0 C-N-CA 125.893 1.677 . . . . 0.0 112.943 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.44 -26.41 60.93 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 125.257 1.423 . . . . 0.0 113.115 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.383 2.044 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 N--CA 1.523 3.253 0 N-CA-C 114.188 0.803 . . . . 0.0 114.188 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -96.91 -41.03 8.61 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 123.338 0.655 . . . . 0.0 112.272 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.23 -37.78 52.56 Favored 'General case' 0 C--N 1.373 1.593 0 C-N-CA 124.861 1.264 . . . . 0.0 111.873 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -31.75 70.64 Favored 'General case' 0 C--N 1.38 1.925 0 C-N-CA 124.967 1.307 . . . . 0.0 111.31 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 81' ' ' ALA . 4.9 mt-30 -69.36 -38.04 77.91 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 124.716 1.26 . . . . 0.0 111.607 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.3 m -71.16 -41.27 70.62 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 123.729 0.812 . . . . 0.0 111.093 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.91 -44.58 91.31 Favored 'General case' 0 C--N 1.389 2.298 0 O-C-N 124.237 0.961 . . . . 0.0 111.838 173.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -65.71 -40.2 92.01 Favored 'General case' 0 C--N 1.4 2.763 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -69.55 -38.8 77.61 Favored 'General case' 0 C--N 1.376 1.728 0 CA-C-O 117.835 -1.079 . . . . 0.0 110.611 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.93 -30.2 71.37 Favored 'General case' 0 N--CA 1.503 2.181 0 C-N-CA 123.99 0.916 . . . . 0.0 111.788 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.5 t -75.83 -46.76 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 C-N-CA 125.505 1.522 . . . . 0.0 111.59 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.99 -29.84 68.12 Favored 'General case' 0 N--CA 1.506 2.364 0 C-N-CA 123.668 0.787 . . . . 0.0 111.712 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.21 90.04 Favored 'General case' 0 N--CA 1.512 2.655 0 C-N-CA 126.251 1.82 . . . . 0.0 110.837 171.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 mt -70.0 -37.88 75.82 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 124.188 0.995 . . . . 0.0 110.765 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -59.54 -40.77 88.29 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 127.435 2.294 . . . . 0.0 112.222 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.26 -16.1 58.13 Favored 'General case' 0 N--CA 1.505 2.297 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 177.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -97.36 -19.78 18.27 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 125.477 1.511 . . . . 0.0 110.187 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.79 11.35 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 127.066 2.146 . . . . 0.0 112.129 178.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.1 -67.09 2.11 Favored Glycine 0 N--CA 1.497 2.756 0 N-CA-C 117.397 1.719 . . . . 0.0 117.397 -170.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.09 -8.96 25.04 Favored 'Trans proline' 0 C--N 1.412 3.871 0 CA-C-N 122.004 2.902 . . . . 0.0 117.164 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.25 -50.41 10.97 Favored 'General case' 0 C--N 1.375 1.704 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -176.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.511 2.611 0 N-CA-C 115.968 1.84 . . . . 0.0 115.968 -178.325 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 122.005 0.907 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.41 -2.0 51.77 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 113.67 -1.605 . . . . 0.0 113.868 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -80.11 -30.61 39.16 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 123.326 0.651 . . . . 0.0 111.091 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 mt -102.16 -3.82 26.84 Favored 'General case' 0 C--N 1.388 2.248 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -120.12 154.93 34.01 Favored 'General case' 0 C--N 1.382 2.017 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.0 108.96 13.51 Favored 'General case' 0 C--N 1.385 2.115 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 t -152.93 169.09 23.7 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 113.486 -1.688 . . . . 0.0 108.726 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -113.46 -31.9 6.39 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.511 0.724 . . . . 0.0 111.466 -178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.28 83.58 1.11 Allowed Glycine 0 C--N 1.381 3.036 0 N-CA-C 107.594 -2.202 . . . . 0.0 107.594 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.15 -55.94 1.18 Allowed 'General case' 0 C--N 1.385 2.151 0 CA-C-N 117.329 0.564 . . . . 0.0 111.147 -173.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -177.6 173.63 1.62 Allowed 'General case' 0 C--N 1.412 3.303 0 C-N-CA 126.973 2.109 . . . . 0.0 112.214 -174.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -21.66 62.43 Favored 'General case' 0 C--N 1.42 3.652 0 C-N-CA 125.042 1.337 . . . . 0.0 108.201 171.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.86 -35.29 74.63 Favored Glycine 0 C--N 1.383 3.172 0 C-N-CA 126.07 1.795 . . . . 0.0 113.757 176.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.97 -21.57 54.52 Favored 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 123.254 0.622 . . . . 0.0 111.804 178.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -82.19 -31.1 30.57 Favored 'General case' 0 N--CA 1.505 2.291 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.238 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mt -75.48 -36.38 60.65 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.482 1.513 . . . . 0.0 111.84 175.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -29.61 67.27 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 126.189 1.796 . . . . 0.0 111.119 175.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -79.82 -31.67 40.66 Favored 'General case' 0 C--N 1.382 2.004 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.21 -39.09 68.83 Favored 'General case' 0 C--N 1.375 1.688 0 CA-C-N 113.526 -1.67 . . . . 0.0 111.913 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -37.29 74.21 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 123.518 0.727 . . . . 0.0 111.163 174.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.75 -26.8 62.6 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 125.624 1.57 . . . . 0.0 113.003 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -80.22 -30.02 38.56 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 123.53 0.732 . . . . 0.0 110.03 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.73 -41.96 64.64 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 125.529 1.532 . . . . 0.0 110.382 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -72.35 -30.93 65.19 Favored 'General case' 0 N--CA 1.508 2.429 0 C-N-CA 125.898 1.679 . . . . 0.0 113.196 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -76.7 -36.51 57.18 Favored 'General case' 0 N--CA 1.509 2.498 0 C-N-CA 123.687 0.795 . . . . 0.0 112.875 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.51 -33.11 70.83 Favored 'General case' 0 C--N 1.388 2.256 0 C-N-CA 124.955 1.302 . . . . 0.0 111.403 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -34.59 78.51 Favored 'General case' 0 C--N 1.386 2.158 0 C-N-CA 126.447 1.899 . . . . 0.0 112.231 176.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.6 87.88 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 123.484 0.714 . . . . 0.0 111.145 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.97 -27.89 69.14 Favored 'General case' 0 C--N 1.395 2.55 0 C-N-CA 125.275 1.43 . . . . 0.0 113.32 173.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.36 -39.79 86.6 Favored 'Isoleucine or valine' 0 C--N 1.384 2.087 0 C-N-CA 125.42 1.488 . . . . 0.0 108.927 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -68.87 -11.29 60.37 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 126.227 1.811 . . . . 0.0 112.405 175.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -87.25 -39.21 15.63 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 172.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.35 37.44 1.21 Allowed Glycine 0 C--N 1.381 3.072 0 N-CA-C 116.657 1.423 . . . . 0.0 116.657 171.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.93 107.8 20.32 Favored 'General case' 0 C--N 1.375 1.709 0 CA-C-O 121.786 0.803 . . . . 0.0 109.633 177.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.43 -22.57 61.08 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 113.719 -1.582 . . . . 0.0 112.57 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.7 m -71.05 -36.38 72.3 Favored 'General case' 0 CA--C 1.574 1.866 0 C-N-CA 125.336 1.455 . . . . 0.0 110.368 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.68 -22.32 56.8 Favored 'General case' 0 C--N 1.392 2.421 0 C-N-CA 124.075 0.95 . . . . 0.0 111.802 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.0 t -75.38 -49.21 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 C-N-CA 126.722 2.009 . . . . 0.0 109.714 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.13 79.25 Favored 'General case' 0 C--N 1.38 1.899 0 C-N-CA 127.064 2.146 . . . . 0.0 112.512 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.88 -45.97 90.05 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 124.872 1.269 . . . . 0.0 108.836 172.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.83 -39.08 93.38 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 125.002 1.439 . . . . 0.0 111.354 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.15 95.22 Favored 'General case' 0 N--CA 1.511 2.614 0 C-N-CA 124.857 1.263 . . . . 0.0 111.819 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.84 -35.72 72.56 Favored 'General case' 0 N--CA 1.517 2.905 0 C-N-CA 126.202 1.801 . . . . 0.0 111.065 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -70.84 -30.12 66.45 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 126.127 1.771 . . . . 0.0 110.31 174.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -43.66 64.22 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 124.701 1.2 . . . . 0.0 111.652 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.09 -38.96 82.92 Favored 'General case' 0 C--N 1.39 2.345 0 C-N-CA 125.298 1.439 . . . . 0.0 112.122 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' HB2' HE21 ' A' ' 8' ' ' GLN . . . -65.76 -37.46 86.42 Favored 'General case' 0 C--N 1.387 2.2 0 C-N-CA 126.294 1.838 . . . . 0.0 111.672 176.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.44 -27.46 61.44 Favored 'General case' 0 C--N 1.378 1.824 0 C-N-CA 124.03 0.932 . . . . 0.0 112.613 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 80' ' ' ALA . 37.8 mt -62.9 -46.27 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.566 0 C-N-CA 123.157 0.583 . . . . 0.0 109.83 175.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.58 -43.58 84.55 Favored 'General case' 0 N--CA 1.509 2.512 0 C-N-CA 125.296 1.439 . . . . 0.0 111.955 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.29 -42.91 64.99 Favored 'General case' 0 C--N 1.377 1.788 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.3 -45.51 11.18 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -176.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.469 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 17.0 mt-30 -64.2 -38.81 92.39 Favored 'General case' 0 N--CA 1.505 2.301 0 CA-C-N 119.141 0.882 . . . . 0.0 112.572 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -78.55 -43.68 26.05 Favored 'General case' 0 CA--C 1.593 2.619 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -76.54 -31.97 57.94 Favored 'General case' 0 N--CA 1.514 2.744 0 CA-C-N 118.843 0.747 . . . . 0.0 111.004 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.51 -22.37 51.28 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 124.801 1.241 . . . . 0.0 109.459 174.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -63.23 -41.8 99.14 Favored 'General case' 0 C--N 1.427 3.946 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.8 p -77.23 -29.96 54.35 Favored 'General case' 0 C--N 1.396 2.594 0 C-N-CA 123.908 0.883 . . . . 0.0 111.008 175.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.72 -25.74 60.81 Favored 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 124.224 1.01 . . . . 0.0 113.146 173.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 m -59.42 -17.41 30.49 Favored 'General case' 0 C--N 1.413 3.343 0 C-N-CA 126.516 1.926 . . . . 0.0 112.86 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.526 3.361 0 C-N-CA 127.394 2.278 . . . . 0.0 114.412 173.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 CA--C 1.57 1.737 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.9 mt -73.51 -28.43 61.9 Favored 'General case' 0 N--CA 1.51 2.561 0 C-N-CA 125.363 1.465 . . . . 0.0 114.417 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -69.9 -30.58 68.04 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 124.553 1.141 . . . . 0.0 110.2 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -68.32 -34.0 75.33 Favored 'General case' 0 C--N 1.386 2.155 0 C-N-CA 125.961 1.705 . . . . 0.0 111.4 174.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 6.0 mpt_? -76.36 -48.92 18.25 Favored 'General case' 0 C--N 1.385 2.119 0 C-N-CA 123.209 0.603 . . . . 0.0 110.537 177.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 mp -61.12 -60.95 2.95 Favored 'General case' 0 CA--C 1.599 2.831 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.41 -43.15 23.91 Favored 'General case' 0 C--N 1.385 2.143 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 42.8 mt-10 -72.05 -35.4 69.31 Favored 'General case' 0 N--CA 1.513 2.68 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.9 m-85 -66.0 -44.28 85.26 Favored 'General case' 0 C--N 1.391 2.374 0 CA-C-N 118.61 0.641 . . . . 0.0 112.211 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.26 -38.56 75.16 Favored 'General case' 0 C--N 1.391 2.379 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.5 -41.03 80.63 Favored 'General case' 0 N--CA 1.522 3.161 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -67.54 -34.86 77.95 Favored 'General case' 0 N--CA 1.505 2.318 0 C-N-CA 124.461 1.104 . . . . 0.0 111.691 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.18 -29.4 66.27 Favored 'General case' 0 C--N 1.382 1.994 0 C-N-CA 125.071 1.348 . . . . 0.0 112.38 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.79 -44.09 91.09 Favored 'General case' 0 N--CA 1.516 2.838 0 C-N-CA 125.153 1.381 . . . . 0.0 113.908 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -73.5 -39.88 64.51 Favored 'General case' 0 N--CA 1.509 2.517 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.52 -33.15 72.23 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 123.694 0.622 . . . . 0.0 110.271 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.0 -34.06 71.01 Favored 'General case' 0 C--N 1.381 1.939 0 C-N-CA 124.93 1.292 . . . . 0.0 111.783 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.83 91.38 Favored 'General case' 0 C--N 1.41 3.222 0 C-N-CA 125.593 1.557 . . . . 0.0 112.427 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 63.8 mtt -63.68 -39.74 95.08 Favored 'General case' 0 C--N 1.393 2.488 0 O-C-N 125.005 1.44 . . . . 0.0 110.621 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 89.9 mttt -68.55 -39.06 81.25 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 124.755 1.222 . . . . 0.0 109.891 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.66 -38.15 90.03 Favored 'General case' 0 C--N 1.401 2.839 0 C-N-CA 125.541 1.536 . . . . 0.0 114.611 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.94 -39.42 83.45 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 124.389 1.076 . . . . 0.0 110.958 176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -77.54 -21.68 52.22 Favored 'General case' 0 C--N 1.383 2.055 0 C-N-CA 124.562 1.145 . . . . 0.0 112.507 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 38.3 mt-10 -70.43 -36.18 73.82 Favored 'General case' 0 N--CA 1.513 2.678 0 C-N-CA 125.47 1.508 . . . . 0.0 110.728 175.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -66.73 -39.44 87.98 Favored 'General case' 0 C--N 1.387 2.237 0 C-N-CA 124.67 1.188 . . . . 0.0 110.709 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.89 -36.43 75.44 Favored 'General case' 0 C--N 1.392 2.424 0 C-N-CA 125.002 1.321 . . . . 0.0 112.002 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -69.27 -37.5 77.93 Favored 'General case' 0 C--N 1.39 2.359 0 C-N-CA 125.385 1.474 . . . . 0.0 112.085 177.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.19 85.79 Favored 'General case' 0 CA--C 1.571 1.752 0 C-N-CA 124.99 1.316 . . . . 0.0 113.39 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -89.79 -39.67 12.97 Favored 'General case' 0 C--N 1.386 2.158 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -106.0 -29.8 9.71 Favored 'General case' 0 C--N 1.393 2.485 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -175.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 33.9 m80 55.02 29.48 12.44 Favored 'General case' 0 N--CA 1.532 3.659 0 C-N-CA 127.423 2.289 . . . . 0.0 116.676 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.93 139.16 49.7 Favored Pre-proline 0 N--CA 1.503 2.214 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -56.03 -14.9 12.43 Favored 'Trans proline' 1 C--N 1.437 5.222 0 C-N-CA 124.839 3.693 . . . . 0.0 116.97 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -68.06 -39.11 83.07 Favored 'General case' 0 N--CA 1.53 3.527 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.484 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -77.81 -29.7 50.85 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 126.953 2.101 . . . . 0.0 109.85 -179.231 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.33 81.36 Favored 'General case' 0 C--N 1.376 1.73 0 C-N-CA 126.793 2.037 . . . . 0.0 110.524 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.13 -33.82 72.3 Favored 'General case' 0 C--N 1.382 1.985 0 O-C-N 124.15 0.906 . . . . 0.0 110.987 173.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.2 -42.94 65.21 Favored 'General case' 0 N--CA 1.51 2.553 0 C-N-CA 125.243 1.417 . . . . 0.0 114.756 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.0 mt -67.33 -42.0 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.192 0 C-N-CA 125.359 1.463 . . . . 0.0 109.099 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.9 m -62.59 -42.06 99.34 Favored 'General case' 0 CA--C 1.587 2.389 0 C-N-CA 125.983 1.713 . . . . 0.0 111.074 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.81 95.46 Favored 'General case' 0 N--CA 1.512 2.657 0 C-N-CA 124.621 1.169 . . . . 0.0 112.118 175.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.17 -27.93 61.93 Favored 'General case' 0 C--N 1.38 1.912 0 C-N-CA 125.303 1.441 . . . . 0.0 112.017 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -37.9 89.07 Favored 'General case' 0 C--N 1.391 2.408 0 C-N-CA 126.286 1.835 . . . . 0.0 112.57 177.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.77 -34.05 60.23 Favored 'General case' 0 C--N 1.388 2.246 0 C-N-CA 125.29 1.436 . . . . 0.0 110.111 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -71.54 -33.87 69.52 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.086 1.355 . . . . 0.0 112.634 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -38.38 87.69 Favored 'General case' 0 C--N 1.38 1.898 0 C-N-CA 124.885 1.274 . . . . 0.0 110.32 174.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.4 p -76.05 -38.24 57.36 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 123.718 0.636 . . . . 0.0 112.071 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -72.34 -28.95 63.38 Favored 'General case' 0 N--CA 1.514 2.752 0 C-N-CA 124.072 0.949 . . . . 0.0 113.326 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 5.4 t -74.19 -39.47 63.15 Favored 'General case' 0 C--N 1.384 2.08 0 C-N-CA 123.9 0.88 . . . . 0.0 109.844 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -60.62 -37.38 81.27 Favored 'General case' 0 C--N 1.391 2.409 0 C-N-CA 125.516 1.526 . . . . 0.0 112.318 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 5.5 m -71.13 -40.87 71.16 Favored 'General case' 0 CA--C 1.58 2.109 0 C-N-CA 125.116 1.366 . . . . 0.0 110.471 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.62 86.18 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 126.348 1.859 . . . . 0.0 113.111 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 28.4 mt -66.98 -40.8 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.011 0 C-N-CA 126.378 1.871 . . . . 0.0 109.96 175.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.4 99.34 Favored 'General case' 0 C--N 1.391 2.389 0 C-N-CA 124.754 1.221 . . . . 0.0 113.445 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.98 -39.81 83.24 Favored 'General case' 0 N--CA 1.515 2.784 0 C-N-CA 125.185 1.394 . . . . 0.0 113.0 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.4 p -70.83 -32.41 69.44 Favored 'General case' 0 N--CA 1.509 2.48 0 C-N-CA 124.654 1.182 . . . . 0.0 112.396 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -72.67 -31.32 64.98 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 124.918 1.287 . . . . 0.0 112.271 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.51 -38.57 84.47 Favored 'General case' 0 N--CA 1.511 2.616 0 C-N-CA 125.0 1.32 . . . . 0.0 113.119 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.3 -37.06 77.63 Favored 'General case' 0 C--N 1.378 1.818 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.072 177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.29 -29.23 65.93 Favored 'General case' 0 C--N 1.392 2.454 0 C-N-CA 125.684 1.593 . . . . 0.0 112.25 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -71.24 -29.11 64.71 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.413 1.485 . . . . 0.0 112.553 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.385 2.142 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 N--CA 1.527 3.475 0 N-CA-C 114.881 1.07 . . . . 0.0 114.881 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mt -100.22 -47.08 5.08 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 123.567 0.747 . . . . 0.0 111.85 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -37.42 54.03 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 125.199 1.399 . . . . 0.0 112.677 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -31.93 70.16 Favored 'General case' 0 C--N 1.38 1.924 0 C-N-CA 124.386 1.074 . . . . 0.0 110.685 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -69.08 -35.79 76.91 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.143 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -71.92 -41.29 68.05 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 124.117 0.967 . . . . 0.0 111.095 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 mt -58.33 -43.3 88.18 Favored 'General case' 0 C--N 1.391 2.41 0 C-N-CA 124.296 1.038 . . . . 0.0 112.126 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -65.83 -38.27 88.43 Favored 'General case' 0 C--N 1.4 2.771 0 C-N-CA 124.729 1.212 . . . . 0.0 114.088 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -67.97 -38.11 82.35 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.839 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.72 -30.06 70.52 Favored 'General case' 0 N--CA 1.512 2.632 0 C-N-CA 124.493 1.117 . . . . 0.0 112.274 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -76.28 -46.42 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.429 0 C-N-CA 124.859 1.264 . . . . 0.0 110.245 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.94 -27.4 64.73 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 123.928 0.891 . . . . 0.0 111.057 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.469 ' O ' HD23 ' A' ' 20' ' ' LEU . . . -64.55 -39.48 93.83 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 125.84 1.656 . . . . 0.0 109.505 170.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -25.43 61.03 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 125.075 1.35 . . . . 0.0 111.604 177.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -68.06 -39.01 83.09 Favored 'General case' 0 N--CA 1.513 2.718 0 C-N-CA 125.404 1.482 . . . . 0.0 111.556 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 p -88.13 -22.08 24.29 Favored 'General case' 0 CA--C 1.561 1.397 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 16' ' ' ALA . 3.7 mm? -94.13 -15.54 24.59 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 126.236 1.815 . . . . 0.0 112.908 -176.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.4 mt -108.0 -71.95 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.841 0 N-CA-C 100.496 -3.891 . . . . 0.0 100.496 172.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.39 -95.57 0.01 OUTLIER Glycine 0 N--CA 1.49 2.28 0 O-C-N 127.569 3.043 . . . . 0.0 112.371 175.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -64.64 -8.68 18.12 Favored 'Trans proline' 1 C--N 1.419 4.276 0 C-N-CA 123.613 2.875 . . . . 0.0 115.696 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 mp -89.62 -4.65 57.71 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 126.351 1.86 . . . . 0.0 112.262 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.636 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.51 2.561 0 C-N-CA 126.951 2.1 . . . . 0.0 116.275 175.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 122.023 0.916 . . . . 0.0 110.7 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -82.82 -11.0 58.59 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 113.598 -1.637 . . . . 0.0 113.788 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -80.24 -23.15 41.04 Favored 'General case' 0 N--CA 1.503 2.21 0 C-N-CA 123.961 0.905 . . . . 0.0 112.24 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.87 -3.42 42.01 Favored 'General case' 0 C--N 1.382 2.007 0 C-N-CA 124.357 1.063 . . . . 0.0 112.048 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -120.39 155.61 33.08 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 123.928 0.891 . . . . 0.0 113.244 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.58 112.16 17.67 Favored 'General case' 0 C--N 1.377 1.802 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.3 t -139.82 156.52 46.69 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.898 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -106.99 48.09 0.85 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -176.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.01 -69.44 0.49 Allowed Glycine 0 N--CA 1.489 2.188 0 N-CA-C 118.346 2.098 . . . . 0.0 118.346 171.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -176.63 59.27 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.425 0 CA-C-N 119.52 1.66 . . . . 0.0 109.985 -178.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -137.73 140.21 40.57 Favored 'General case' 0 CA--C 1.562 1.407 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 -177.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.636 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 2.7 mt -70.31 -23.65 62.88 Favored 'General case' 0 N--CA 1.525 3.285 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 170.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.75 -38.2 95.54 Favored Glycine 0 C--N 1.382 3.11 0 O-C-N 124.919 1.387 . . . . 0.0 114.113 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.28 -27.16 47.33 Favored 'General case' 0 C--N 1.392 2.436 0 C-N-CA 123.636 0.774 . . . . 0.0 112.657 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -80.76 -30.72 36.04 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -76.41 -37.96 56.3 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 124.834 1.254 . . . . 0.0 112.997 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -30.69 68.52 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 125.315 1.446 . . . . 0.0 111.411 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -81.31 -29.5 34.2 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 123.633 0.773 . . . . 0.0 109.575 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.38 -39.76 64.88 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 124.822 1.326 . . . . 0.0 111.994 177.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -67.21 -38.92 86.11 Favored 'General case' 0 N--CA 1.503 2.223 0 C-N-CA 125.178 1.391 . . . . 0.0 111.069 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -74.2 -27.25 60.71 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 126.331 1.852 . . . . 0.0 113.312 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 m -79.16 -30.56 43.59 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 123.543 0.737 . . . . 0.0 110.529 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tp -71.73 -40.13 69.61 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 125.017 1.327 . . . . 0.0 110.344 177.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 78.7 p -70.49 -34.89 72.87 Favored 'General case' 0 N--CA 1.506 2.357 0 C-N-CA 125.42 1.488 . . . . 0.0 113.951 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -76.24 -38.51 56.21 Favored 'General case' 0 N--CA 1.516 2.85 0 CA-C-N 119.378 0.99 . . . . 0.0 112.93 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.41 -35.98 80.38 Favored 'General case' 0 C--N 1.387 2.215 0 C-N-CA 124.714 1.206 . . . . 0.0 111.434 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -65.59 -31.6 72.73 Favored 'General case' 0 C--N 1.39 2.343 0 C-N-CA 125.661 1.584 . . . . 0.0 111.614 176.582 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.68 94.5 Favored 'General case' 0 C--N 1.389 2.287 0 C-N-CA 124.261 1.024 . . . . 0.0 113.492 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.27 -30.81 67.93 Favored 'General case' 0 N--CA 1.512 2.638 0 C-N-CA 123.401 0.68 . . . . 0.0 112.119 174.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 56.0 t -60.95 -39.89 83.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.797 0 C-N-CA 126.548 1.939 . . . . 0.0 110.107 175.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -53.95 -32.75 54.8 Favored 'General case' 0 C--N 1.397 2.64 0 C-N-CA 125.275 1.43 . . . . 0.0 112.912 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -69.53 -38.13 77.39 Favored 'General case' 0 C--N 1.4 2.778 0 C-N-CA 125.534 1.534 . . . . 0.0 112.292 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.01 32.26 3.11 Favored Glycine 0 C--N 1.374 2.664 0 N-CA-C 115.951 1.14 . . . . 0.0 115.951 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.92 114.65 22.28 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-O 121.927 0.87 . . . . 0.0 109.157 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.27 -34.54 76.37 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 112.607 -2.088 . . . . 0.0 113.146 -176.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.5 m -71.45 -38.01 71.34 Favored 'General case' 0 CA--C 1.575 1.917 0 C-N-CA 124.425 1.09 . . . . 0.0 111.174 177.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -75.14 -22.72 57.96 Favored 'General case' 0 N--CA 1.509 2.491 0 C-N-CA 123.77 0.828 . . . . 0.0 112.417 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 t -77.5 -47.1 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 125.473 1.509 . . . . 0.0 110.026 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.78 -38.0 82.81 Favored 'General case' 0 C--N 1.39 2.336 0 C-N-CA 127.469 2.307 . . . . 0.0 112.658 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -40.26 95.23 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 126.484 1.914 . . . . 0.0 109.828 172.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 tt -72.5 -37.98 68.25 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.928 1.291 . . . . 0.0 109.947 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.46 -40.4 97.02 Favored 'General case' 0 N--CA 1.514 2.727 0 C-N-CA 125.006 1.322 . . . . 0.0 112.299 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.72 -37.48 73.53 Favored 'General case' 0 N--CA 1.516 2.871 0 C-N-CA 126.098 1.759 . . . . 0.0 110.977 176.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -72.25 -30.17 64.62 Favored 'General case' 0 CA--C 1.573 1.827 0 C-N-CA 125.339 1.456 . . . . 0.0 110.822 174.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.5 -46.03 60.85 Favored 'General case' 0 C--N 1.375 1.714 0 C-N-CA 124.607 1.163 . . . . 0.0 112.104 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.461 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.05 -40.44 82.82 Favored 'General case' 0 C--N 1.388 2.259 0 C-N-CA 124.918 1.287 . . . . 0.0 112.854 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.33 -37.82 83.9 Favored 'General case' 0 C--N 1.39 2.345 0 C-N-CA 126.123 1.769 . . . . 0.0 112.271 178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -73.81 -27.26 61.03 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 123.653 0.781 . . . . 0.0 112.621 176.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 39.9 mt -63.4 -46.13 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.523 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.2 mt-10 -65.73 -44.73 85.11 Favored 'General case' 0 N--CA 1.507 2.384 0 C-N-CA 124.738 1.215 . . . . 0.0 112.071 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.74 -43.88 57.87 Favored 'General case' 0 C--N 1.377 1.787 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.6 mp -86.84 -42.99 12.81 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -175.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 4.6 mt-30 -67.13 -40.14 86.72 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 123.845 0.716 . . . . 0.0 112.058 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.4 mtt180 -79.43 -39.38 32.5 Favored 'General case' 0 C--N 1.385 2.11 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -75.72 -28.83 58.73 Favored 'General case' 0 C--N 1.39 2.355 0 CA-C-N 118.957 0.799 . . . . 0.0 110.543 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.18 60.13 Favored 'General case' 0 C--N 1.39 2.343 0 C-N-CA 123.954 0.901 . . . . 0.0 109.169 173.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.13 -33.32 69.99 Favored 'General case' 0 C--N 1.41 3.236 0 C-N-CA 124.902 1.281 . . . . 0.0 114.061 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.3 p -85.72 -23.09 27.5 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 123.811 0.844 . . . . 0.0 110.636 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.58 -25.62 50.14 Favored 'General case' 0 C--N 1.39 2.369 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.812 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.2 p -75.14 -10.82 59.83 Favored 'General case' 0 N--CA 1.515 2.782 0 C-N-CA 125.99 1.716 . . . . 0.0 112.299 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.489 1.504 0 C-N-CA 124.492 1.117 . . . . 0.0 112.832 176.649 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.498 1.96 0 N-CA-C 111.24 0.089 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.437 ' H ' ' HG ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -75.73 -29.26 58.85 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.944 1.298 . . . . 0.0 113.821 179.628 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -67.84 -36.66 80.72 Favored 'General case' 0 C--N 1.386 2.161 0 C-N-CA 123.995 0.918 . . . . 0.0 112.428 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.97 -37.31 85.66 Favored 'General case' 0 C--N 1.39 2.351 0 C-N-CA 125.836 1.654 . . . . 0.0 111.452 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 2.0 mpt_? -69.88 -47.87 60.91 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 124.122 0.969 . . . . 0.0 110.666 175.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.412 HD11 HD22 ' A' ' 46' ' ' LEU . 3.9 mp -59.12 -61.41 2.65 Favored 'General case' 0 CA--C 1.594 2.639 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.88 -48.0 8.15 Favored 'General case' 0 C--N 1.383 2.057 0 N-CA-C 116.524 2.046 . . . . 0.0 116.524 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.29 -37.39 71.86 Favored 'General case' 0 N--CA 1.51 2.55 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -178.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 17.3 m-85 -73.86 -32.23 63.54 Favored 'General case' 0 C--N 1.392 2.432 0 CA-C-N 118.474 0.579 . . . . 0.0 112.116 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -65.95 -38.11 87.77 Favored 'General case' 0 C--N 1.399 2.759 0 CA-C-O 118.613 -0.708 . . . . 0.0 112.506 175.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.92 -41.26 95.71 Favored 'General case' 0 N--CA 1.52 3.05 0 C-N-CA 125.288 1.435 . . . . 0.0 114.277 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -65.97 -37.2 85.38 Favored 'General case' 0 N--CA 1.508 2.435 0 C-N-CA 124.5 1.12 . . . . 0.0 112.491 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.79 -31.0 68.68 Favored 'General case' 0 C--N 1.378 1.828 0 C-N-CA 124.97 1.308 . . . . 0.0 112.229 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -64.99 -42.43 94.52 Favored 'General case' 0 N--CA 1.513 2.688 0 C-N-CA 125.57 1.548 . . . . 0.0 114.15 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -73.08 -38.67 66.34 Favored 'General case' 0 N--CA 1.508 2.426 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.78 -32.89 73.2 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 123.455 0.472 . . . . 0.0 110.128 173.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.19 -31.49 67.7 Favored 'General case' 0 C--N 1.382 1.995 0 C-N-CA 125.201 1.4 . . . . 0.0 112.328 175.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.6 -37.95 83.3 Favored 'General case' 0 C--N 1.406 3.059 0 C-N-CA 125.127 1.371 . . . . 0.0 111.327 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.75 -38.21 90.23 Favored 'General case' 0 C--N 1.395 2.571 0 C-N-CA 125.432 1.493 . . . . 0.0 110.623 176.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -66.87 -39.07 87.43 Favored 'General case' 0 C--N 1.39 2.342 0 C-N-CA 125.148 1.379 . . . . 0.0 110.653 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -72.99 -45.85 55.6 Favored 'General case' 0 C--N 1.392 2.448 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.09 -40.83 78.17 Favored 'General case' 0 N--CA 1.515 2.821 0 C-N-CA 124.501 1.12 . . . . 0.0 113.785 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.51 -33.19 72.47 Favored 'General case' 0 N--CA 1.502 2.175 0 C-N-CA 124.51 1.124 . . . . 0.0 111.415 178.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.32 -36.52 79.41 Favored 'General case' 0 C--N 1.383 2.031 0 C-N-CA 125.397 1.479 . . . . 0.0 113.054 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -68.16 -43.77 77.51 Favored 'General case' 0 N--CA 1.509 2.475 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.97 -37.95 72.76 Favored 'General case' 0 C--N 1.39 2.33 0 CA-C-N 113.864 -1.516 . . . . 0.0 112.985 -177.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -87.61 -13.81 41.76 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 123.774 0.83 . . . . 0.0 113.029 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.86 85.27 Favored 'General case' 0 N--CA 1.519 2.978 0 C-N-CA 125.678 1.591 . . . . 0.0 111.386 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -75.47 -16.01 60.36 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 126.028 1.731 . . . . 0.0 112.854 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -99.11 -27.39 13.85 Favored 'General case' 0 CA--C 1.579 2.081 0 C-N-CA 125.148 1.379 . . . . 0.0 110.518 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.36 24.94 3.16 Favored 'General case' 0 N--CA 1.528 3.447 0 C-N-CA 128.195 2.598 . . . . 0.0 116.163 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -93.99 149.72 37.37 Favored Pre-proline 0 CA--C 1.578 2.056 0 CA-C-O 117.724 -1.131 . . . . 0.0 111.946 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -49.7 -8.41 0.11 Allowed 'Trans proline' 2 C--N 1.442 5.496 1 C-N-CA 125.949 4.433 . . . . 0.0 118.708 178.88 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -67.58 -17.85 64.78 Favored 'General case' 0 N--CA 1.518 2.969 0 C-N-CA 124.266 1.026 . . . . 0.0 113.611 -178.365 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.419 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -76.89 -34.14 57.77 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.605 1.562 . . . . 0.0 109.965 177.34 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.51 -35.73 70.84 Favored 'General case' 0 C--N 1.386 2.175 0 C-N-CA 124.738 1.215 . . . . 0.0 111.011 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.22 -38.01 78.33 Favored 'General case' 0 CA--C 1.574 1.891 0 C-N-CA 123.961 0.904 . . . . 0.0 111.99 176.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 8.5 mt-10 -77.02 -47.29 21.06 Favored 'General case' 0 N--CA 1.512 2.63 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.4 mt -69.27 -41.57 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.911 0 C-N-CA 124.502 1.121 . . . . 0.0 110.897 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 93.0 m -62.56 -40.0 95.45 Favored 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 124.849 1.26 . . . . 0.0 110.982 177.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.26 97.86 Favored 'General case' 0 N--CA 1.513 2.68 0 C-N-CA 124.453 1.101 . . . . 0.0 113.221 177.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.08 -27.25 57.13 Favored 'General case' 0 C--N 1.381 1.937 0 C-N-CA 124.784 1.234 . . . . 0.0 111.973 177.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -37.01 81.23 Favored 'General case' 0 C--N 1.39 2.35 0 C-N-CA 125.951 1.701 . . . . 0.0 112.708 177.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -75.18 -36.7 61.45 Favored 'General case' 0 C--N 1.388 2.271 0 C-N-CA 125.491 1.516 . . . . 0.0 110.073 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -70.68 -35.1 72.65 Favored 'General case' 0 C--N 1.385 2.117 0 C-N-CA 125.532 1.533 . . . . 0.0 112.461 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.13 -39.74 95.55 Favored 'General case' 0 C--N 1.383 2.056 0 C-N-CA 124.764 1.226 . . . . 0.0 109.938 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.9 p -78.04 -40.28 39.27 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 124.015 0.822 . . . . 0.0 113.155 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -70.7 -36.68 73.39 Favored 'General case' 0 N--CA 1.512 2.636 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 15.0 p -75.09 -38.41 61.21 Favored 'General case' 0 C--N 1.38 1.9 0 CA-C-O 118.961 -0.543 . . . . 0.0 112.287 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -64.02 -37.68 88.31 Favored 'General case' 0 C--N 1.385 2.129 0 C-N-CA 124.993 1.317 . . . . 0.0 112.773 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 23.0 m -72.32 -44.09 63.19 Favored 'General case' 0 N--CA 1.5 2.025 0 C-N-CA 124.564 1.145 . . . . 0.0 112.195 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.69 78.25 Favored 'General case' 0 C--N 1.377 1.768 0 C-N-CA 125.276 1.43 . . . . 0.0 113.115 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 35.8 mt -71.14 -40.21 74.76 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.871 0 C-N-CA 125.477 1.511 . . . . 0.0 111.185 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.67 97.03 Favored 'General case' 0 C--N 1.396 2.596 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.99 -41.79 77.35 Favored 'General case' 0 N--CA 1.514 2.757 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.8 p -71.12 -37.95 72.32 Favored 'General case' 0 N--CA 1.51 2.538 0 C-N-CA 124.01 0.924 . . . . 0.0 112.926 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -72.03 -34.39 68.76 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 123.962 0.905 . . . . 0.0 112.579 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -65.6 -36.3 83.33 Favored 'General case' 0 N--CA 1.514 2.753 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.87 -33.31 70.49 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 124.481 1.112 . . . . 0.0 111.668 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.5 mt -79.87 -36.56 36.42 Favored 'General case' 0 N--CA 1.501 2.1 0 C-N-CA 125.18 1.392 . . . . 0.0 112.541 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.67 -26.45 59.86 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 125.753 1.621 . . . . 0.0 114.38 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? . . . . . 0 C--N 1.398 2.701 0 C-N-CA 126.914 2.086 . . . . 0.0 113.16 -178.043 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo . . . . . 0 N--CA 1.527 3.493 0 N-CA-C 117.286 1.995 . . . . 0.0 117.286 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mt -74.54 -36.29 63.14 Favored 'General case' 0 N--CA 1.506 2.334 0 C-N-CA 123.88 0.872 . . . . 0.0 111.832 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -34.03 55.2 Favored 'General case' 0 C--N 1.375 1.683 0 C-N-CA 125.472 1.509 . . . . 0.0 112.303 178.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.61 -31.68 68.75 Favored 'General case' 0 C--N 1.381 1.943 0 C-N-CA 124.174 0.989 . . . . 0.0 109.248 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -66.28 -38.07 86.92 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.566 1.146 . . . . 0.0 111.661 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.8 m -71.69 -41.16 68.98 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 124.187 0.995 . . . . 0.0 110.918 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mt -58.4 -43.74 88.71 Favored 'General case' 0 C--N 1.387 2.218 0 O-C-N 124.32 1.012 . . . . 0.0 112.231 173.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -65.68 -39.94 91.82 Favored 'General case' 0 C--N 1.4 2.795 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -70.2 -36.99 74.97 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.47 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.76 -30.5 71.49 Favored 'General case' 0 N--CA 1.505 2.321 0 C-N-CA 124.158 0.983 . . . . 0.0 111.638 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.7 t -75.95 -46.01 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.359 0 C-N-CA 125.524 1.529 . . . . 0.0 111.038 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.26 68.48 Favored 'General case' 0 N--CA 1.505 2.311 0 C-N-CA 123.351 0.661 . . . . 0.0 111.405 175.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.15 -40.11 90.31 Favored 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 125.567 1.547 . . . . 0.0 110.334 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -36.2 70.64 Favored 'General case' 0 C--N 1.38 1.915 0 C-N-CA 124.382 1.073 . . . . 0.0 110.886 178.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -59.67 -41.53 90.85 Favored 'General case' 0 N--CA 1.505 2.3 0 C-N-CA 127.484 2.314 . . . . 0.0 111.647 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.28 -15.16 59.57 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 177.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.64 -19.48 17.52 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.534 1.133 . . . . 0.0 109.738 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.39 15.41 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 127.206 2.202 . . . . 0.0 111.555 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.81 -78.96 0.15 Allowed Glycine 0 N--CA 1.486 2.028 0 CA-C-O 117.353 -1.804 . . . . 0.0 114.453 -173.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -66.2 -2.04 6.36 Favored 'Trans proline' 0 CA--C 1.602 3.916 0 C-N-CA 123.469 2.779 . . . . 0.0 116.838 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 mt -90.74 -13.13 34.64 Favored 'General case' 0 CA--C 1.584 2.262 0 C-N-CA 125.352 1.461 . . . . 0.0 112.522 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.551 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.513 2.702 0 C-N-CA 127.492 2.317 . . . . 0.0 115.405 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.246 0.906 0 CA-C-O 122.079 0.943 . . . . 0.0 109.163 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -83.0 7.02 16.83 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 113.589 -1.642 . . . . 0.0 113.526 -177.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -79.47 -28.11 41.55 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.304 1.042 . . . . 0.0 110.574 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.44 -6.88 32.9 Favored 'General case' 0 C--N 1.391 2.412 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -117.12 153.67 32.38 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 122.957 0.503 . . . . 0.0 112.294 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.01 109.54 14.23 Favored 'General case' 0 C--N 1.381 1.967 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.6 t -157.73 140.41 14.8 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 113.406 -1.725 . . . . 0.0 108.575 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -83.05 -31.65 27.26 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.219 -1.355 . . . . 0.0 112.835 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.21 81.75 1.32 Allowed Glycine 0 C--N 1.377 2.828 0 N-CA-C 107.717 -2.153 . . . . 0.0 107.717 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.79 -54.06 1.14 Allowed 'General case' 0 C--N 1.377 1.782 0 CA-C-O 121.177 0.513 . . . . 0.0 110.639 -173.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.436 ' HG2' ' H ' ' A' ' 47' ' ' GLY 0.257 55.9 ttt180 -177.58 175.59 1.38 Allowed 'General case' 0 C--N 1.413 3.347 0 O-C-N 126.134 2.146 . . . . 0.0 112.477 -172.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.551 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 2.1 mt -67.86 -22.01 65.14 Favored 'General case' 0 N--CA 1.537 3.896 0 C-N-CA 125.228 1.411 . . . . 0.0 108.683 168.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.91 -35.03 81.12 Favored Glycine 0 C--N 1.375 2.737 0 C-N-CA 126.355 1.931 . . . . 0.0 114.822 177.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.06 -21.41 54.5 Favored 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 117.721 0.761 . . . . 0.0 111.791 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -81.98 -32.56 30.59 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.827 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -77.12 -35.1 56.56 Favored 'General case' 0 C--N 1.372 1.578 0 C-N-CA 124.953 1.301 . . . . 0.0 112.621 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.62 -38.88 77.41 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 125.3 1.44 . . . . 0.0 111.6 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -74.37 -30.07 61.83 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 123.485 0.714 . . . . 0.0 111.424 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.11 -38.91 69.23 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 113.848 -1.524 . . . . 0.0 111.684 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -37.68 75.95 Favored 'General case' 0 N--CA 1.502 2.165 0 C-N-CA 123.989 0.916 . . . . 0.0 110.84 175.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.91 -24.49 61.65 Favored 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 126.211 1.804 . . . . 0.0 112.551 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.14 -31.41 39.01 Favored 'General case' 0 C--N 1.382 1.997 0 C-N-CA 123.755 0.822 . . . . 0.0 109.809 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.3 tp -72.71 -40.2 66.36 Favored 'General case' 0 C--N 1.384 2.097 0 C-N-CA 124.911 1.284 . . . . 0.0 110.809 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.2 p -71.82 -32.38 67.51 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 125.783 1.633 . . . . 0.0 113.066 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -77.46 -35.27 54.02 Favored 'General case' 0 N--CA 1.507 2.406 0 C-N-CA 123.609 0.764 . . . . 0.0 112.657 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -71.03 -32.55 69.33 Favored 'General case' 0 C--N 1.386 2.195 0 C-N-CA 124.898 1.279 . . . . 0.0 111.358 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -32.93 74.49 Favored 'General case' 0 C--N 1.387 2.227 0 C-N-CA 126.306 1.842 . . . . 0.0 111.864 176.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.6 89.29 Favored 'General case' 0 C--N 1.392 2.454 0 C-N-CA 123.816 0.846 . . . . 0.0 111.284 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.62 -27.9 69.25 Favored 'General case' 0 C--N 1.395 2.571 0 C-N-CA 125.235 1.414 . . . . 0.0 113.475 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 82.1 t -64.32 -38.91 83.76 Favored 'Isoleucine or valine' 0 C--N 1.382 2.002 0 C-N-CA 125.391 1.476 . . . . 0.0 108.58 175.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -68.94 -11.71 60.94 Favored 'General case' 0 N--CA 1.502 2.169 0 C-N-CA 125.824 1.649 . . . . 0.0 112.263 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -88.11 -39.23 14.74 Favored 'General case' 0 C--N 1.38 1.926 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 172.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.85 39.87 0.87 Allowed Glycine 0 C--N 1.381 3.046 0 N-CA-C 116.889 1.516 . . . . 0.0 116.889 171.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.05 105.31 16.03 Favored 'General case' 0 C--N 1.374 1.673 0 CA-C-O 121.676 0.75 . . . . 0.0 109.459 176.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.15 -20.95 60.81 Favored 'General case' 0 N--CA 1.505 2.29 0 CA-C-N 114.048 -1.433 . . . . 0.0 112.3 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.9 m -71.1 -36.57 72.23 Favored 'General case' 0 CA--C 1.569 1.703 0 C-N-CA 125.504 1.522 . . . . 0.0 110.215 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -75.47 -22.12 57.51 Favored 'General case' 0 C--N 1.393 2.461 0 C-N-CA 124.087 0.955 . . . . 0.0 111.791 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.5 t -75.68 -49.4 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 C-N-CA 126.607 1.963 . . . . 0.0 109.968 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.0 -36.45 80.01 Favored 'General case' 0 C--N 1.379 1.862 0 C-N-CA 127.018 2.127 . . . . 0.0 112.691 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -46.93 84.43 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 125.924 1.689 . . . . 0.0 108.939 173.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.2 -40.52 97.73 Favored 'General case' 0 N--CA 1.509 2.501 0 O-C-N 124.792 1.308 . . . . 0.0 111.457 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.01 95.36 Favored 'General case' 0 N--CA 1.511 2.581 0 C-N-CA 124.779 1.231 . . . . 0.0 112.898 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.75 -37.88 73.47 Favored 'General case' 0 N--CA 1.519 2.992 0 C-N-CA 126.071 1.748 . . . . 0.0 111.64 177.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -71.04 -30.34 66.51 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 124.996 1.318 . . . . 0.0 110.24 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.493 HD11 HD13 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -67.85 -47.04 70.07 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 124.522 1.129 . . . . 0.0 112.162 179.158 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.44 -40.06 81.26 Favored 'General case' 0 C--N 1.384 2.101 0 C-N-CA 124.789 1.236 . . . . 0.0 113.257 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.44 81.81 Favored 'General case' 0 C--N 1.389 2.294 0 C-N-CA 125.712 1.605 . . . . 0.0 112.492 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -73.83 -27.31 61.04 Favored 'General case' 0 C--N 1.376 1.736 0 C-N-CA 123.957 0.903 . . . . 0.0 112.642 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 80' ' ' ALA . 30.7 mt -63.04 -46.28 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.564 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.45 -44.58 82.42 Favored 'General case' 0 N--CA 1.505 2.29 0 C-N-CA 124.652 1.181 . . . . 0.0 112.355 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.35 -45.24 56.24 Favored 'General case' 0 C--N 1.379 1.863 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.11 -45.64 11.88 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -175.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -65.53 -36.87 85.09 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -76.54 -41.02 48.12 Favored 'General case' 0 CA--C 1.595 2.7 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -75.26 -29.7 60.25 Favored 'General case' 0 C--N 1.402 2.856 0 CA-C-N 118.962 0.801 . . . . 0.0 109.78 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.38 -22.87 51.03 Favored 'General case' 0 C--N 1.384 2.075 0 C-N-CA 125.646 1.578 . . . . 0.0 110.801 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.16 95.6 Favored 'General case' 0 C--N 1.41 3.219 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 p -78.8 -27.74 44.49 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 124.058 0.943 . . . . 0.0 111.726 174.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.64 -28.33 63.62 Favored 'General case' 0 N--CA 1.502 2.158 0 C-N-CA 124.676 1.191 . . . . 0.0 112.424 173.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -8.43 1.3 Allowed 'General case' 0 C--N 1.421 3.705 0 C-N-CA 127.08 2.152 . . . . 0.0 112.845 175.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.503 2.198 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 178.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 . . . . . 0 CA--C 1.562 1.436 0 CA-C-O 119.189 -0.434 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 46.5 mt -63.73 -47.34 81.43 Favored 'General case' 0 N--CA 1.512 2.656 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -71.06 -36.84 72.44 Favored 'General case' 0 C--N 1.376 1.723 0 C-N-CA 125.599 1.56 . . . . 0.0 110.302 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.57 -29.68 69.81 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 124.686 1.195 . . . . 0.0 111.33 173.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.578 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -77.1 -48.82 16.74 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 123.324 0.65 . . . . 0.0 110.206 175.21 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.99 -63.69 1.05 Allowed 'General case' 0 CA--C 1.595 2.682 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.03 -43.58 28.97 Favored 'General case' 0 C--N 1.384 2.108 0 N-CA-C 117.347 2.351 . . . . 0.0 117.347 -177.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -75.07 -29.62 60.73 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.1 m-85 -70.78 -37.57 73.35 Favored 'General case' 0 C--N 1.389 2.285 0 CA-C-O 118.795 -0.621 . . . . 0.0 111.337 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -66.09 -39.71 90.21 Favored 'General case' 0 N--CA 1.509 2.506 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.19 -42.9 71.78 Favored 'General case' 0 N--CA 1.52 3.058 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -70.85 -35.67 72.53 Favored 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 124.031 0.932 . . . . 0.0 112.641 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -73.75 -24.3 59.86 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 124.511 1.124 . . . . 0.0 111.879 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -65.58 -49.39 68.98 Favored 'General case' 0 C--N 1.392 2.426 0 C-N-CA 125.513 1.525 . . . . 0.0 113.547 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -75.02 -34.46 61.9 Favored 'General case' 0 N--CA 1.51 2.533 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.9 -32.74 73.15 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 123.843 0.715 . . . . 0.0 110.018 172.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.493 HD13 HD11 ' A' ' 79' ' ' LEU . 1.6 mt -71.39 -34.01 70.01 Favored 'General case' 0 C--N 1.384 2.095 0 C-N-CA 124.674 1.19 . . . . 0.0 112.524 176.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.43 93.48 Favored 'General case' 0 C--N 1.407 3.096 0 C-N-CA 125.646 1.579 . . . . 0.0 112.141 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 64.2 mtt -64.52 -39.42 93.74 Favored 'General case' 0 C--N 1.389 2.297 0 O-C-N 125.053 1.47 . . . . 0.0 110.339 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -68.86 -38.07 79.52 Favored 'General case' 0 C--N 1.389 2.318 0 C-N-CA 124.559 1.144 . . . . 0.0 110.351 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -63.9 -38.43 91.06 Favored 'General case' 0 C--N 1.401 2.811 0 C-N-CA 125.511 1.524 . . . . 0.0 114.551 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.13 -40.1 82.56 Favored 'General case' 0 N--CA 1.506 2.349 0 C-N-CA 124.356 1.063 . . . . 0.0 111.263 177.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -75.48 -24.78 56.97 Favored 'General case' 0 C--N 1.382 2.021 0 C-N-CA 124.448 1.099 . . . . 0.0 112.593 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.29 -37.05 77.65 Favored 'General case' 0 N--CA 1.515 2.775 0 C-N-CA 125.42 1.488 . . . . 0.0 111.454 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -66.89 -38.61 86.61 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 124.731 1.212 . . . . 0.0 110.742 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.91 -36.29 75.26 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 125.007 1.323 . . . . 0.0 111.811 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -69.37 -36.47 76.85 Favored 'General case' 0 C--N 1.392 2.442 0 C-N-CA 125.203 1.401 . . . . 0.0 112.143 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.06 -37.09 84.97 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 124.975 1.31 . . . . 0.0 113.134 176.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -90.21 -39.38 12.83 Favored 'General case' 0 C--N 1.387 2.232 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -107.05 -30.0 9.07 Favored 'General case' 0 C--N 1.393 2.494 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -175.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 55.94 26.88 10.34 Favored 'General case' 0 N--CA 1.533 3.692 0 C-N-CA 127.398 2.279 . . . . 0.0 116.398 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.78 139.33 62.24 Favored Pre-proline 0 N--CA 1.504 2.265 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -56.38 -15.84 16.27 Favored 'Trans proline' 1 C--N 1.438 5.258 0 C-N-CA 124.741 3.628 . . . . 0.0 116.394 177.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.4 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 52.2 mt-30 -69.04 -38.28 79.06 Favored 'General case' 0 N--CA 1.527 3.376 0 C-N-CA 124.369 1.068 . . . . 0.0 113.128 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.18 -29.48 48.57 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 126.654 1.981 . . . . 0.0 109.914 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.71 78.34 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 126.735 2.014 . . . . 0.0 110.262 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.41 -33.19 71.07 Favored 'General case' 0 C--N 1.381 1.965 0 C-N-CA 124.163 0.985 . . . . 0.0 110.863 173.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 37.6 mt-10 -72.36 -43.41 64.07 Favored 'General case' 0 N--CA 1.512 2.664 0 C-N-CA 125.083 1.353 . . . . 0.0 114.555 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.6 mt -66.95 -43.23 89.38 Favored 'Isoleucine or valine' 0 C--N 1.407 3.101 0 C-N-CA 125.141 1.376 . . . . 0.0 109.091 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.3 m -62.19 -41.95 98.82 Favored 'General case' 0 CA--C 1.588 2.407 0 C-N-CA 125.98 1.712 . . . . 0.0 111.352 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.93 90.43 Favored 'General case' 0 N--CA 1.513 2.69 0 C-N-CA 124.464 1.106 . . . . 0.0 111.904 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 25.0 mt -73.24 -27.09 61.39 Favored 'General case' 0 C--N 1.38 1.897 0 C-N-CA 125.267 1.427 . . . . 0.0 112.164 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.78 -37.16 86.33 Favored 'General case' 0 C--N 1.393 2.476 0 C-N-CA 125.696 1.598 . . . . 0.0 111.606 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -75.18 -36.79 61.44 Favored 'General case' 0 C--N 1.39 2.362 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.322 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -71.26 -35.12 71.28 Favored 'General case' 0 C--N 1.387 2.2 0 C-N-CA 124.919 1.288 . . . . 0.0 113.112 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -38.36 90.76 Favored 'General case' 0 C--N 1.379 1.872 0 C-N-CA 124.605 1.162 . . . . 0.0 110.017 175.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.5 p -77.63 -39.65 44.51 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 124.031 0.832 . . . . 0.0 112.675 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -70.48 -34.32 72.24 Favored 'General case' 0 N--CA 1.517 2.895 0 C-N-CA 124.177 0.991 . . . . 0.0 113.636 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 80.8 m -71.37 -38.72 71.55 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 123.685 0.794 . . . . 0.0 110.435 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -57.78 -38.9 76.26 Favored 'General case' 0 C--N 1.393 2.466 0 C-N-CA 125.884 1.674 . . . . 0.0 113.184 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.01 -42.55 47.66 Favored 'General case' 0 CA--C 1.578 2.025 0 C-N-CA 124.475 1.11 . . . . 0.0 112.343 178.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.87 -38.46 83.1 Favored 'General case' 0 C--N 1.38 1.922 0 C-N-CA 125.58 1.552 . . . . 0.0 113.502 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 29.6 mt -69.22 -40.47 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.796 0 C-N-CA 125.946 1.698 . . . . 0.0 110.845 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.48 -42.47 98.57 Favored 'General case' 0 C--N 1.391 2.409 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.81 -41.56 71.44 Favored 'General case' 0 N--CA 1.515 2.796 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.2 p -70.87 -37.75 73.08 Favored 'General case' 0 N--CA 1.511 2.617 0 C-N-CA 124.312 1.045 . . . . 0.0 113.507 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -75.29 -28.96 59.95 Favored 'General case' 0 C--N 1.376 1.728 0 C-N-CA 123.973 0.909 . . . . 0.0 112.973 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -68.54 -37.66 80.15 Favored 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.44 73.46 Favored 'General case' 0 C--N 1.377 1.768 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.84 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.8 mt -73.85 -32.42 63.64 Favored 'General case' 0 C--N 1.388 2.263 0 C-N-CA 125.743 1.617 . . . . 0.0 112.631 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.06 -27.09 61.54 Favored 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 125.295 1.438 . . . . 0.0 113.358 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.381 1.953 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo . . . . . 0 N--CA 1.516 2.849 0 N-CA-C 114.795 1.036 . . . . 0.0 114.795 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -99.42 -46.58 5.45 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 123.494 0.718 . . . . 0.0 111.552 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -41.22 42.17 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 125.485 1.514 . . . . 0.0 112.575 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -33.38 73.22 Favored 'General case' 0 C--N 1.382 2.001 0 O-C-N 124.557 1.161 . . . . 0.0 111.795 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -35.27 75.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 124.617 1.198 . . . . 0.0 111.179 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.5 m -71.55 -41.2 69.39 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 124.042 0.937 . . . . 0.0 111.133 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.02 -43.66 91.61 Favored 'General case' 0 C--N 1.388 2.241 0 O-C-N 124.339 1.025 . . . . 0.0 111.715 173.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -45.26 89.43 Favored 'General case' 0 C--N 1.397 2.642 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -70.11 -35.61 74.25 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 117.824 -1.084 . . . . 0.0 111.489 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.16 -28.68 70.22 Favored 'General case' 0 N--CA 1.509 2.517 0 C-N-CA 124.073 0.949 . . . . 0.0 112.007 175.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.1 t -77.09 -46.66 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.462 0 C-N-CA 125.636 1.575 . . . . 0.0 111.735 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.14 -29.67 66.65 Favored 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 123.698 0.799 . . . . 0.0 111.745 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.04 87.85 Favored 'General case' 0 N--CA 1.513 2.723 0 C-N-CA 125.902 1.681 . . . . 0.0 110.19 171.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -35.92 74.65 Favored 'General case' 0 C--N 1.378 1.834 0 C-N-CA 125.066 1.347 . . . . 0.0 110.622 177.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -59.83 -43.19 94.71 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 127.194 2.197 . . . . 0.0 112.056 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.19 -14.45 59.06 Favored 'General case' 0 N--CA 1.499 2.014 0 C-N-CA 124.105 0.962 . . . . 0.0 113.232 178.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 mp -97.55 -17.73 19.39 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.532 1.133 . . . . 0.0 109.141 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.88 16.24 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 127.036 2.135 . . . . 0.0 111.069 176.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.78 -77.15 0.28 Allowed Glycine 0 C--N 1.366 2.222 0 CA-C-O 116.687 -2.174 . . . . 0.0 114.163 -172.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.4 -3.04 8.19 Favored 'Trans proline' 1 C--N 1.421 4.392 0 CA-C-N 122.364 3.082 . . . . 0.0 115.776 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.1 mt -88.43 -13.74 39.71 Favored 'General case' 0 CA--C 1.58 2.131 0 C-N-CA 125.169 1.388 . . . . 0.0 111.995 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.56 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.508 2.448 0 C-N-CA 126.72 2.008 . . . . 0.0 114.58 176.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 122.208 1.004 . . . . 0.0 109.8 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -83.42 3.41 32.03 Favored 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 113.522 -1.672 . . . . 0.0 113.907 -177.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -80.03 -22.44 42.39 Favored 'General case' 0 C--N 1.371 1.518 0 C-N-CA 124.559 1.144 . . . . 0.0 111.336 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -93.15 -5.26 50.59 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 123.919 0.888 . . . . 0.0 112.672 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -118.22 152.84 34.92 Favored 'General case' 0 C--N 1.382 1.986 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.91 105.25 9.46 Favored 'General case' 0 C--N 1.384 2.092 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 0.4 OUTLIER -178.77 172.68 1.33 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 113.144 -1.843 . . . . 0.0 110.222 -177.556 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -86.91 -41.08 14.25 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 176.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.3 78.87 0.12 Allowed Glycine 0 N--CA 1.509 3.516 0 N-CA-C 119.428 2.531 . . . . 0.0 119.428 169.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.85 19.69 2.32 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 69.8 ttt180 -152.6 146.66 25.37 Favored 'General case' 0 C--N 1.389 2.313 0 C-N-CA 126.237 1.815 . . . . 0.0 110.422 -175.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.56 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 1.6 mt -69.08 -25.58 64.5 Favored 'General case' 0 N--CA 1.524 3.272 0 C-N-CA 124.032 0.933 . . . . 0.0 110.665 172.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.528 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -60.09 -39.42 95.75 Favored Glycine 0 N--CA 1.5 2.936 0 C-N-CA 125.022 1.296 . . . . 0.0 116.24 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.476 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 3.0 m-20 -75.45 -24.94 57.06 Favored 'General case' 0 N--CA 1.513 2.685 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -83.95 -30.61 26.12 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.407 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.87 -37.99 64.57 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 125.194 1.398 . . . . 0.0 111.675 177.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -33.7 74.12 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 125.491 1.517 . . . . 0.0 111.62 177.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -74.32 -31.7 62.56 Favored 'General case' 0 C--N 1.377 1.761 0 C-N-CA 123.692 0.797 . . . . 0.0 110.991 176.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.72 -40.54 72.75 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 113.754 -1.566 . . . . 0.0 111.967 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -68.61 -36.36 78.57 Favored 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 124.526 1.13 . . . . 0.0 111.16 175.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -72.0 -24.64 61.6 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 126.87 2.068 . . . . 0.0 112.289 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.8 m -76.34 -32.61 58.76 Favored 'General case' 0 C--N 1.387 2.22 0 C-N-CA 124.449 1.1 . . . . 0.0 109.889 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.5 -37.31 68.43 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 123.658 0.783 . . . . 0.0 112.459 177.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.9 p -69.97 -44.82 68.69 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -75.42 -30.02 59.91 Favored 'General case' 0 N--CA 1.517 2.91 0 CA-C-N 121.101 1.773 . . . . 0.0 113.441 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -70.28 -31.49 68.87 Favored 'General case' 0 C--N 1.393 2.483 0 C-N-CA 123.531 0.733 . . . . 0.0 111.713 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.51 -31.7 71.14 Favored 'General case' 0 C--N 1.388 2.261 0 C-N-CA 125.944 1.698 . . . . 0.0 111.188 175.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.62 -39.93 92.03 Favored 'General case' 0 C--N 1.387 2.228 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.608 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.5 -28.72 69.39 Favored 'General case' 0 C--N 1.396 2.616 0 C-N-CA 124.923 1.289 . . . . 0.0 112.91 174.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.34 -40.01 87.44 Favored 'Isoleucine or valine' 0 C--N 1.382 2.011 0 C-N-CA 125.4 1.48 . . . . 0.0 108.893 175.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -67.03 -16.43 64.35 Favored 'General case' 0 N--CA 1.506 2.33 0 C-N-CA 125.982 1.713 . . . . 0.0 112.326 174.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -79.65 -38.46 33.65 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 172.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.04 34.32 1.68 Allowed Glycine 0 C--N 1.38 3.009 0 N-CA-C 116.564 1.385 . . . . 0.0 116.564 171.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.55 108.8 21.6 Favored 'General case' 0 C--N 1.373 1.628 0 CA-C-O 121.925 0.869 . . . . 0.0 109.41 177.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.47 -22.21 61.1 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 113.563 -1.653 . . . . 0.0 112.435 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.3 m -71.3 -37.09 71.84 Favored 'General case' 0 CA--C 1.571 1.773 0 C-N-CA 125.136 1.374 . . . . 0.0 110.029 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -74.79 -22.7 58.6 Favored 'General case' 0 C--N 1.393 2.463 0 C-N-CA 124.366 1.066 . . . . 0.0 111.99 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.7 t -75.38 -47.73 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 C-N-CA 126.34 1.856 . . . . 0.0 109.561 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.56 -35.99 80.08 Favored 'General case' 0 C--N 1.381 1.976 0 C-N-CA 127.067 2.147 . . . . 0.0 112.372 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -38.95 89.5 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 126.069 1.748 . . . . 0.0 110.27 173.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.0 tt -72.05 -39.25 69.21 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 125.178 1.391 . . . . 0.0 109.281 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.86 94.22 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 124.736 1.214 . . . . 0.0 112.193 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.76 -39.31 76.77 Favored 'General case' 0 N--CA 1.517 2.897 0 C-N-CA 125.956 1.702 . . . . 0.0 111.621 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -72.67 -28.94 63.02 Favored 'General case' 0 CA--C 1.574 1.898 0 C-N-CA 125.066 1.347 . . . . 0.0 110.582 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.59 -46.62 63.09 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 124.057 0.943 . . . . 0.0 111.59 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.25 -40.12 82.03 Favored 'General case' 0 C--N 1.386 2.18 0 C-N-CA 125.017 1.327 . . . . 0.0 112.996 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.64 85.42 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 125.82 1.648 . . . . 0.0 112.05 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -73.43 -27.55 61.5 Favored 'General case' 0 C--N 1.376 1.728 0 C-N-CA 123.674 0.79 . . . . 0.0 112.633 176.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 34.6 mt -63.33 -45.81 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.392 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.37 -45.82 78.81 Favored 'General case' 0 N--CA 1.507 2.404 0 C-N-CA 124.803 1.241 . . . . 0.0 112.398 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.52 -42.82 64.37 Favored 'General case' 0 C--N 1.38 1.904 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -85.7 -46.33 10.83 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 28.0 mt-30 -65.22 -37.71 88.12 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 123.765 0.665 . . . . 0.0 112.75 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -75.67 -42.52 51.0 Favored 'General case' 0 CA--C 1.586 2.336 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 178.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -72.0 -31.94 66.7 Favored 'General case' 0 N--CA 1.514 2.752 0 CA-C-N 119.731 1.151 . . . . 0.0 110.152 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.99 -24.93 58.51 Favored 'General case' 0 C--N 1.383 2.03 0 C-N-CA 125.078 1.351 . . . . 0.0 110.799 175.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.5 85.26 Favored 'General case' 0 C--N 1.415 3.426 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 -177.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 p -79.57 -19.94 48.19 Favored 'General case' 0 C--N 1.395 2.558 0 C-N-CA 126.22 1.808 . . . . 0.0 111.687 176.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.21 -35.18 73.73 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.054 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.2 p -77.44 -11.87 59.89 Favored 'General case' 0 C--N 1.404 2.956 0 C-N-CA 124.586 1.154 . . . . 0.0 112.725 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 tt . . . . . 0 N--CA 1.495 1.781 0 C-N-CA 127.166 2.186 . . . . 0.0 110.083 177.291 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 N--CA 1.495 1.802 0 N-CA-C 110.565 -0.161 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.83 -28.77 64.86 Favored 'General case' 0 N--CA 1.516 2.872 0 C-N-CA 125.26 1.424 . . . . 0.0 113.378 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -67.48 -35.12 78.54 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 125.129 1.372 . . . . 0.0 110.853 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -65.91 -35.69 81.31 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 125.57 1.548 . . . . 0.0 111.382 174.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -72.02 -49.54 36.03 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 123.639 0.776 . . . . 0.0 110.921 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.02 -60.9 2.52 Favored 'General case' 0 CA--C 1.589 2.479 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.86 -42.69 60.43 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 -177.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 41.6 mt-10 -71.04 -37.16 72.56 Favored 'General case' 0 N--CA 1.51 2.56 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -67.55 -39.52 84.96 Favored 'General case' 0 C--N 1.386 2.193 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 178.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -70.02 -39.5 75.77 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.5 -42.44 71.32 Favored 'General case' 0 N--CA 1.518 2.944 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -70.05 -36.95 75.38 Favored 'General case' 0 N--CA 1.503 2.219 0 C-N-CA 124.362 1.065 . . . . 0.0 112.561 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -73.49 -25.9 60.66 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 124.384 1.074 . . . . 0.0 112.537 177.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -48.33 68.26 Favored 'General case' 0 C--N 1.392 2.414 0 C-N-CA 125.165 1.386 . . . . 0.0 113.393 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -72.16 -38.2 69.2 Favored 'General case' 0 N--CA 1.508 2.459 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 152' ' ' LEU . 22.6 mt -59.92 -33.91 72.51 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 123.794 0.684 . . . . 0.0 110.326 174.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.3 mt -70.81 -34.87 72.18 Favored 'General case' 0 C--N 1.379 1.859 0 C-N-CA 124.684 1.194 . . . . 0.0 112.764 176.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.47 93.84 Favored 'General case' 0 C--N 1.408 3.114 0 C-N-CA 125.682 1.593 . . . . 0.0 111.93 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.0 mtt -63.83 -39.44 94.23 Favored 'General case' 0 C--N 1.389 2.317 0 O-C-N 125.026 1.454 . . . . 0.0 110.353 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 90.5 mttt -68.5 -38.75 81.24 Favored 'General case' 0 C--N 1.39 2.368 0 C-N-CA 124.74 1.216 . . . . 0.0 110.32 176.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -65.4 -36.97 85.56 Favored 'General case' 0 C--N 1.398 2.68 0 C-N-CA 125.206 1.402 . . . . 0.0 114.749 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.44 -39.89 85.44 Favored 'General case' 0 N--CA 1.508 2.433 0 C-N-CA 124.287 1.035 . . . . 0.0 111.114 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -76.24 -23.16 54.52 Favored 'General case' 0 C--N 1.382 1.996 0 C-N-CA 124.466 1.106 . . . . 0.0 112.486 177.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 43.2 mt-10 -69.04 -36.7 78.01 Favored 'General case' 0 N--CA 1.513 2.721 0 C-N-CA 125.269 1.428 . . . . 0.0 111.142 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -67.04 -39.36 86.94 Favored 'General case' 0 C--N 1.386 2.188 0 C-N-CA 124.831 1.253 . . . . 0.0 110.625 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.8 -37.76 79.47 Favored 'General case' 0 C--N 1.391 2.387 0 C-N-CA 124.946 1.298 . . . . 0.0 111.951 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -70.64 -33.48 71.04 Favored 'General case' 0 C--N 1.391 2.375 0 C-N-CA 124.911 1.284 . . . . 0.0 112.045 177.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.63 -37.9 87.88 Favored 'General case' 0 CA--C 1.573 1.851 0 C-N-CA 125.011 1.324 . . . . 0.0 113.124 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -90.41 -40.23 12.18 Favored 'General case' 0 C--N 1.385 2.122 0 N-CA-C 116.142 1.905 . . . . 0.0 116.142 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -105.8 -30.09 9.62 Favored 'General case' 0 C--N 1.394 2.505 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -174.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 55.31 26.32 8.48 Favored 'General case' 0 N--CA 1.532 3.67 0 C-N-CA 127.389 2.276 . . . . 0.0 116.494 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.45 137.77 63.67 Favored Pre-proline 0 N--CA 1.502 2.164 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -56.43 -15.19 14.52 Favored 'Trans proline' 1 C--N 1.435 5.121 0 C-N-CA 124.695 3.596 . . . . 0.0 116.784 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -68.68 -38.25 80.2 Favored 'General case' 0 N--CA 1.526 3.355 0 C-N-CA 124.268 1.027 . . . . 0.0 113.164 -178.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.507 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -77.79 -30.01 51.11 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 126.664 1.985 . . . . 0.0 110.055 -179.649 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.67 -37.68 79.8 Favored 'General case' 0 C--N 1.376 1.747 0 C-N-CA 126.85 2.06 . . . . 0.0 110.198 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.9 -33.85 72.75 Favored 'General case' 0 C--N 1.38 1.893 0 C-N-CA 124.157 0.983 . . . . 0.0 110.71 173.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.14 -42.68 65.71 Favored 'General case' 0 N--CA 1.512 2.636 0 C-N-CA 125.087 1.355 . . . . 0.0 114.391 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 6.5 mt -66.68 -43.43 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.17 0 C-N-CA 125.309 1.444 . . . . 0.0 109.139 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.2 m -62.75 -42.03 99.48 Favored 'General case' 0 CA--C 1.588 2.436 0 C-N-CA 125.916 1.686 . . . . 0.0 111.272 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.58 -39.0 92.32 Favored 'General case' 0 N--CA 1.513 2.703 0 C-N-CA 124.603 1.161 . . . . 0.0 112.173 175.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.52 -26.88 61.07 Favored 'General case' 0 C--N 1.38 1.922 0 C-N-CA 125.127 1.371 . . . . 0.0 112.036 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.76 -36.96 85.99 Favored 'General case' 0 C--N 1.393 2.491 0 C-N-CA 125.796 1.638 . . . . 0.0 111.781 176.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -74.96 -35.53 62.1 Favored 'General case' 0 C--N 1.392 2.424 0 C-N-CA 125.564 1.546 . . . . 0.0 110.044 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -70.48 -33.35 71.13 Favored 'General case' 0 C--N 1.389 2.299 0 C-N-CA 125.441 1.496 . . . . 0.0 112.717 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 122' ' ' LEU . 1.0 OUTLIER -66.66 -37.83 85.61 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 124.873 1.269 . . . . 0.0 109.424 174.751 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 18.3 p -77.12 -35.57 56.18 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 123.767 0.667 . . . . 0.0 112.362 176.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -69.87 -35.06 74.38 Favored 'General case' 0 N--CA 1.518 2.958 0 C-N-CA 124.084 0.954 . . . . 0.0 113.179 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 82.5 m -69.4 -38.05 77.78 Favored 'General case' 0 C--N 1.386 2.187 0 C-N-CA 123.965 0.906 . . . . 0.0 110.205 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -58.35 -38.34 77.02 Favored 'General case' 0 C--N 1.393 2.483 0 C-N-CA 126.274 1.83 . . . . 0.0 112.303 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.9 m -67.19 -42.95 83.33 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 125.267 1.427 . . . . 0.0 110.799 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.46 -38.78 88.1 Favored 'General case' 0 C--N 1.382 2.01 0 C-N-CA 126.043 1.737 . . . . 0.0 112.576 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 37.8 mt -67.88 -43.12 86.21 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.071 0 C-N-CA 126.074 1.749 . . . . 0.0 110.169 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.15 93.46 Favored 'General case' 0 C--N 1.39 2.36 0 C-N-CA 124.613 1.165 . . . . 0.0 113.857 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.74 -39.36 87.9 Favored 'General case' 0 N--CA 1.512 2.654 0 C-N-CA 125.04 1.336 . . . . 0.0 113.398 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.2 p -71.46 -31.9 67.7 Favored 'General case' 0 N--CA 1.51 2.547 0 C-N-CA 124.385 1.074 . . . . 0.0 112.549 178.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.04 -35.86 77.07 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 125.153 1.381 . . . . 0.0 111.874 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.57 -35.98 81.54 Favored 'General case' 0 N--CA 1.513 2.712 0 C-N-CA 125.389 1.475 . . . . 0.0 112.244 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -66.71 -33.7 76.22 Favored 'General case' 0 N--CA 1.501 2.096 0 C-N-CA 124.912 1.285 . . . . 0.0 111.507 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.8 mt -76.88 -33.03 57.85 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 125.263 1.425 . . . . 0.0 112.358 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -69.38 -44.56 71.24 Favored 'General case' 0 N--CA 1.511 2.62 0 C-N-CA 126.305 1.842 . . . . 0.0 114.742 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 . . . . . 0 C--N 1.374 1.669 0 C-N-CA 125.367 1.467 . . . . 0.0 113.949 -177.259 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo . . . . . 0 N--CA 1.524 3.278 0 N-CA-C 115.622 1.355 . . . . 0.0 115.622 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.0 -49.61 4.06 Favored 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 123.963 0.905 . . . . 0.0 111.403 177.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.26 -37.93 51.98 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 125.361 1.464 . . . . 0.0 112.697 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -32.18 70.56 Favored 'General case' 0 C--N 1.381 1.938 0 C-N-CA 124.327 1.051 . . . . 0.0 110.248 178.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -36.35 79.25 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 124.534 1.146 . . . . 0.0 111.26 176.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -72.12 -41.12 67.57 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 123.709 0.804 . . . . 0.0 110.889 177.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.11 -43.56 91.91 Favored 'General case' 0 C--N 1.388 2.282 0 O-C-N 124.506 1.129 . . . . 0.0 112.216 173.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -66.17 -40.15 90.29 Favored 'General case' 0 C--N 1.4 2.804 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 m -70.11 -36.72 75.06 Favored 'General case' 0 C--N 1.377 1.802 0 CA-C-O 117.246 -1.359 . . . . 0.0 110.172 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.29 -28.66 70.17 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 119.173 0.897 . . . . 0.0 111.718 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.6 t -75.57 -46.85 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 C-N-CA 125.225 1.41 . . . . 0.0 110.584 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.57 -28.78 65.16 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 118.972 0.805 . . . . 0.0 111.212 175.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.44 94.63 Favored 'General case' 0 N--CA 1.507 2.384 0 C-N-CA 125.155 1.382 . . . . 0.0 108.803 171.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.98 -34.73 71.68 Favored 'General case' 0 C--N 1.375 1.693 0 CA-C-O 117.421 -1.276 . . . . 0.0 111.186 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -57.76 -42.79 84.71 Favored 'General case' 0 N--CA 1.531 3.599 0 C-N-CA 125.792 1.637 . . . . 0.0 112.699 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.66 -15.26 46.02 Favored 'General case' 0 CA--C 1.562 1.404 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mp -99.12 -18.61 17.62 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.706 0.803 . . . . 0.0 110.365 -176.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 pp -107.37 -19.13 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 125.255 1.422 . . . . 0.0 112.287 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.47 -69.81 0.73 Allowed Glycine 0 C--N 1.379 2.923 0 CA-C-O 116.894 -2.059 . . . . 0.0 114.016 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.31 -22.79 16.57 Favored 'Trans proline' 0 CA--C 1.597 3.666 0 CA-C-N 121.904 2.852 . . . . 0.0 116.705 174.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.0 0.3 57.47 Favored 'General case' 0 CA--C 1.587 2.381 0 C-N-CA 124.884 1.274 . . . . 0.0 113.462 177.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.427 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.51 2.532 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 121.853 0.835 . . . . 0.0 111.305 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.01 0.58 47.54 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 113.733 -1.576 . . . . 0.0 113.402 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -77.97 -23.54 48.41 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 124.421 1.088 . . . . 0.0 111.546 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.03 -6.56 47.99 Favored 'General case' 0 C--N 1.39 2.334 0 C-N-CA 123.361 0.664 . . . . 0.0 112.392 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.2 153.17 34.31 Favored 'General case' 0 C--N 1.383 2.022 0 C-N-CA 123.73 0.812 . . . . 0.0 112.764 -178.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.46 104.9 9.0 Favored 'General case' 0 C--N 1.385 2.128 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.474 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 0.5 OUTLIER -174.79 174.37 2.6 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 113.51 -1.677 . . . . 0.0 110.964 -178.223 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -87.99 -40.85 13.55 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 175.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.21 65.71 3.28 Favored Glycine 0 N--CA 1.509 3.512 0 N-CA-C 119.802 2.681 . . . . 0.0 119.802 169.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.89 21.13 4.97 Favored 'General case' 0 C--N 1.371 1.506 0 CA-C-N 119.805 1.803 . . . . 0.0 106.632 176.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.456 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 66.6 ttt180 -150.23 144.0 25.33 Favored 'General case' 0 C--N 1.385 2.112 0 C-N-CA 126.022 1.729 . . . . 0.0 110.333 -176.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.427 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -70.44 -24.25 62.86 Favored 'General case' 0 N--CA 1.521 3.079 0 C-N-CA 123.991 0.917 . . . . 0.0 110.429 173.086 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.456 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -62.3 -39.26 97.49 Favored Glycine 0 C--N 1.378 2.914 0 C-N-CA 125.134 1.35 . . . . 0.0 115.918 177.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.474 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 3.0 m-20 -73.83 -26.75 60.76 Favored 'General case' 0 N--CA 1.517 2.879 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -82.85 -29.79 29.15 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.9 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.61 -37.07 60.07 Favored 'General case' 0 C--N 1.376 1.725 0 C-N-CA 125.195 1.398 . . . . 0.0 112.691 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -30.45 68.31 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 125.247 1.419 . . . . 0.0 111.137 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -77.63 -29.77 51.93 Favored 'General case' 0 C--N 1.375 1.7 0 C-N-CA 123.687 0.795 . . . . 0.0 109.923 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.14 71.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 125.136 1.522 . . . . 0.0 111.905 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -36.7 74.87 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 123.685 0.794 . . . . 0.0 111.797 174.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.27 -25.37 61.58 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 126.386 1.874 . . . . 0.0 112.536 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.4 m -77.45 -32.79 54.69 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 124.176 0.991 . . . . 0.0 109.873 178.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.61 -39.38 70.52 Favored 'General case' 0 CA--C 1.583 2.236 0 C-N-CA 125.51 1.524 . . . . 0.0 111.687 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.5 p -70.68 -44.57 66.74 Favored 'General case' 0 N--CA 1.509 2.514 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -75.04 -27.93 60.22 Favored 'General case' 0 N--CA 1.523 3.179 0 CA-C-N 120.979 1.718 . . . . 0.0 113.824 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.06 -32.13 70.09 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 123.641 0.776 . . . . 0.0 111.492 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 0.1 OUTLIER -68.62 -30.75 69.54 Favored 'General case' 0 C--N 1.386 2.179 0 C-N-CA 125.449 1.5 . . . . 0.0 111.27 175.524 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.64 92.61 Favored 'General case' 0 C--N 1.39 2.334 0 C-N-CA 124.359 1.063 . . . . 0.0 112.024 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.83 -27.54 68.95 Favored 'General case' 0 C--N 1.394 2.52 0 C-N-CA 125.065 1.346 . . . . 0.0 112.841 173.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 83.2 t -64.85 -38.98 84.12 Favored 'Isoleucine or valine' 0 C--N 1.382 1.985 0 C-N-CA 125.271 1.428 . . . . 0.0 108.374 174.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -64.53 -24.84 67.74 Favored 'General case' 0 N--CA 1.511 2.617 0 C-N-CA 125.581 1.553 . . . . 0.0 111.746 173.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -70.87 -39.51 72.83 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 118.856 0.753 . . . . 0.0 109.166 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.5 27.95 4.21 Favored Glycine 0 C--N 1.378 2.906 0 N-CA-C 115.854 1.101 . . . . 0.0 115.854 171.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.5 114.95 27.25 Favored 'General case' 0 C--N 1.372 1.581 0 CA-C-O 121.955 0.884 . . . . 0.0 110.02 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.34 -27.34 63.3 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 113.017 -1.901 . . . . 0.0 112.361 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.0 m -71.34 -37.92 71.69 Favored 'General case' 0 CA--C 1.571 1.773 0 C-N-CA 125.273 1.429 . . . . 0.0 110.279 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -74.72 -22.58 58.74 Favored 'General case' 0 C--N 1.388 2.254 0 C-N-CA 124.403 1.081 . . . . 0.0 112.005 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.3 t -76.29 -46.44 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 C-N-CA 125.675 1.59 . . . . 0.0 109.517 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.32 81.59 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 127.159 2.184 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -37.96 86.14 Favored 'General case' 0 N--CA 1.503 2.209 0 C-N-CA 126.711 2.004 . . . . 0.0 110.26 173.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.26 -38.69 68.81 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 125.499 1.52 . . . . 0.0 109.116 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.7 91.52 Favored 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 125.103 1.361 . . . . 0.0 112.245 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.79 -38.74 76.76 Favored 'General case' 0 N--CA 1.519 3.009 0 C-N-CA 126.024 1.729 . . . . 0.0 111.187 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -72.93 -29.26 62.97 Favored 'General case' 0 CA--C 1.574 1.885 0 C-N-CA 125.366 1.466 . . . . 0.0 110.611 174.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.52 -46.76 63.01 Favored 'General case' 0 C--N 1.377 1.762 0 C-N-CA 124.209 1.003 . . . . 0.0 111.9 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.4 -39.74 81.56 Favored 'General case' 0 C--N 1.384 2.105 0 C-N-CA 124.886 1.274 . . . . 0.0 112.914 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.51 -37.28 82.57 Favored 'General case' 0 C--N 1.388 2.281 0 C-N-CA 125.818 1.647 . . . . 0.0 112.399 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -73.55 -27.67 61.46 Favored 'General case' 0 C--N 1.375 1.716 0 C-N-CA 123.755 0.822 . . . . 0.0 112.638 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.492 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 28.6 mt -63.51 -45.64 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.275 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 175.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.0 mt-10 -66.93 -45.97 76.22 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 124.475 1.11 . . . . 0.0 112.505 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.82 -44.88 54.39 Favored 'General case' 0 C--N 1.378 1.806 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 mp -85.63 -44.76 12.33 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -174.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 34.9 mt-30 -68.5 -37.75 80.37 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 124.0 0.813 . . . . 0.0 113.016 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 6.5 mtt180 -78.17 -34.03 49.9 Favored 'General case' 0 C--N 1.387 2.206 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 178.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.07 -25.01 51.86 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-N 119.098 0.863 . . . . 0.0 109.634 177.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.6 57.22 Favored 'General case' 0 C--N 1.389 2.297 0 C-N-CA 124.402 1.081 . . . . 0.0 109.424 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.3 -29.22 63.65 Favored 'General case' 0 C--N 1.403 2.893 0 C-N-CA 125.638 1.575 . . . . 0.0 112.683 178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.05 -22.56 27.15 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.373 1.069 . . . . 0.0 109.821 175.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.59 -27.23 51.25 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 125.37 1.468 . . . . 0.0 112.067 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.3 p -78.63 -11.3 59.96 Favored 'General case' 0 N--CA 1.514 2.744 0 C-N-CA 125.384 1.474 . . . . 0.0 111.471 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.493 1.721 0 C-N-CA 127.342 2.257 . . . . 0.0 109.498 179.18 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 . . . . . 0 N--CA 1.493 1.684 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.18 -43.16 71.35 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 119.488 1.04 . . . . 0.0 112.502 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -72.72 -34.8 67.35 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 125.044 1.337 . . . . 0.0 111.588 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.15 -36.89 84.32 Favored 'General case' 0 C--N 1.383 2.06 0 C-N-CA 125.563 1.545 . . . . 0.0 111.087 173.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 3.0 mpt_? -75.08 -50.51 16.18 Favored 'General case' 0 C--N 1.371 1.529 0 CA-C-O 118.587 -0.72 . . . . 0.0 111.106 176.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.47 -60.35 3.03 Favored 'General case' 0 CA--C 1.597 2.778 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.96 -42.35 19.54 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 40.0 mt-10 -71.76 -35.52 70.11 Favored 'General case' 0 N--CA 1.512 2.651 0 CA-C-N 119.597 1.089 . . . . 0.0 113.688 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.54 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.3 m-85 -66.76 -41.03 88.41 Favored 'General case' 0 C--N 1.394 2.537 0 CA-C-O 118.606 -0.712 . . . . 0.0 111.673 177.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -66.09 -37.61 86.21 Favored 'General case' 0 C--N 1.394 2.515 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.5 -42.87 82.15 Favored 'General case' 0 N--CA 1.519 2.992 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -70.73 -34.64 72.11 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 124.244 1.018 . . . . 0.0 112.29 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.58 -26.88 61.87 Favored 'General case' 0 C--N 1.379 1.89 0 C-N-CA 124.977 1.311 . . . . 0.0 112.404 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -47.31 69.08 Favored 'General case' 0 C--N 1.39 2.336 0 C-N-CA 125.147 1.379 . . . . 0.0 113.16 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -72.13 -38.78 69.17 Favored 'General case' 0 N--CA 1.509 2.523 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.9 -33.26 72.85 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 123.686 0.616 . . . . 0.0 110.464 174.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -34.65 72.2 Favored 'General case' 0 C--N 1.38 1.933 0 C-N-CA 124.951 1.301 . . . . 0.0 111.794 176.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.51 91.41 Favored 'General case' 0 C--N 1.41 3.205 0 C-N-CA 125.579 1.552 . . . . 0.0 112.408 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.8 mtt -64.53 -39.52 93.92 Favored 'General case' 0 C--N 1.388 2.259 0 O-C-N 124.826 1.329 . . . . 0.0 110.52 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -70.08 -38.62 75.75 Favored 'General case' 0 C--N 1.383 2.024 0 C-N-CA 124.412 1.085 . . . . 0.0 110.635 176.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.48 -38.72 92.21 Favored 'General case' 0 C--N 1.397 2.647 0 C-N-CA 125.062 1.345 . . . . 0.0 114.57 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.33 -40.01 77.84 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 124.09 0.956 . . . . 0.0 111.234 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -74.11 -28.47 61.37 Favored 'General case' 0 N--CA 1.503 2.221 0 C-N-CA 124.322 1.049 . . . . 0.0 112.854 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -69.01 -36.09 77.41 Favored 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 125.376 1.471 . . . . 0.0 111.62 176.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -66.27 -38.73 88.52 Favored 'General case' 0 C--N 1.388 2.259 0 C-N-CA 125.066 1.347 . . . . 0.0 110.377 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -68.63 -36.81 79.12 Favored 'General case' 0 C--N 1.388 2.263 0 C-N-CA 125.0 1.32 . . . . 0.0 111.736 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -70.13 -33.14 71.45 Favored 'General case' 0 C--N 1.392 2.445 0 C-N-CA 125.006 1.322 . . . . 0.0 111.97 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.4 -38.54 90.26 Favored 'General case' 0 CA--C 1.573 1.846 0 C-N-CA 125.001 1.32 . . . . 0.0 113.169 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -91.36 -38.72 12.44 Favored 'General case' 0 C--N 1.385 2.151 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -105.69 -29.85 9.83 Favored 'General case' 0 C--N 1.394 2.506 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -175.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 56.38 27.49 12.09 Favored 'General case' 0 N--CA 1.53 3.532 0 C-N-CA 127.386 2.274 . . . . 0.0 116.554 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.57 136.97 59.19 Favored Pre-proline 0 N--CA 1.502 2.166 0 N-CA-C 113.296 0.851 . . . . 0.0 113.296 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -57.29 -15.01 17.26 Favored 'Trans proline' 1 C--N 1.436 5.135 0 C-N-CA 124.775 3.65 . . . . 0.0 116.678 177.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 52.1 mt-30 -68.73 -37.63 79.6 Favored 'General case' 0 N--CA 1.528 3.436 0 C-N-CA 124.517 1.127 . . . . 0.0 113.187 -177.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.3 OUTLIER -77.72 -29.28 51.15 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 126.381 1.872 . . . . 0.0 110.359 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.09 -37.81 75.52 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 127.026 2.13 . . . . 0.0 111.267 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.28 -34.6 72.97 Favored 'General case' 0 C--N 1.379 1.882 0 O-C-N 124.158 0.911 . . . . 0.0 110.35 173.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 36.9 mt-10 -72.74 -41.94 64.61 Favored 'General case' 0 C--N 1.393 2.492 0 C-N-CA 125.145 1.378 . . . . 0.0 113.703 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.15 -38.81 78.56 Favored 'Isoleucine or valine' 0 C--N 1.401 2.82 0 C-N-CA 124.799 1.24 . . . . 0.0 112.277 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.0 m -66.93 -38.82 86.9 Favored 'General case' 0 CA--C 1.582 2.191 0 C-N-CA 125.783 1.633 . . . . 0.0 110.151 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.95 95.16 Favored 'General case' 0 N--CA 1.514 2.761 0 C-N-CA 124.737 1.215 . . . . 0.0 112.444 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.2 mt -73.65 -27.41 61.24 Favored 'General case' 0 C--N 1.378 1.833 0 C-N-CA 125.14 1.376 . . . . 0.0 111.736 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -36.62 83.33 Favored 'General case' 0 C--N 1.392 2.414 0 C-N-CA 125.82 1.648 . . . . 0.0 112.255 176.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -74.83 -36.16 62.41 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 125.383 1.473 . . . . 0.0 109.941 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -71.43 -33.96 69.88 Favored 'General case' 0 C--N 1.386 2.192 0 C-N-CA 125.322 1.449 . . . . 0.0 112.566 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -38.18 89.46 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 124.38 1.072 . . . . 0.0 110.064 174.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.2 p -77.14 -39.1 50.44 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.822 0.701 . . . . 0.0 112.569 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -71.49 -32.91 68.78 Favored 'General case' 0 N--CA 1.516 2.826 0 C-N-CA 124.117 0.967 . . . . 0.0 113.566 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 3.9 t -73.59 -37.86 65.31 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 123.744 0.817 . . . . 0.0 109.7 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -58.31 -38.21 76.62 Favored 'General case' 0 C--N 1.396 2.594 0 C-N-CA 125.902 1.681 . . . . 0.0 112.71 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 6.4 m -71.5 -40.83 69.93 Favored 'General case' 0 CA--C 1.581 2.153 0 C-N-CA 124.899 1.28 . . . . 0.0 111.092 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.63 -37.99 80.17 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 126.019 1.728 . . . . 0.0 113.07 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 30.7 mt -65.68 -42.7 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 126.387 1.875 . . . . 0.0 110.902 176.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.69 97.46 Favored 'General case' 0 C--N 1.39 2.329 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.55 -41.36 72.56 Favored 'General case' 0 N--CA 1.515 2.777 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.4 p -71.2 -37.13 72.11 Favored 'General case' 0 N--CA 1.51 2.529 0 C-N-CA 124.13 0.972 . . . . 0.0 113.362 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -73.48 -30.98 63.49 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 124.286 1.034 . . . . 0.0 112.891 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -69.07 -37.01 78.25 Favored 'General case' 0 N--CA 1.509 2.511 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.77 74.0 Favored 'General case' 0 C--N 1.377 1.762 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.829 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.1 mt -73.31 -32.35 64.54 Favored 'General case' 0 C--N 1.388 2.27 0 C-N-CA 126.017 1.727 . . . . 0.0 112.576 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -72.93 -27.64 61.97 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 125.168 1.387 . . . . 0.0 113.616 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.382 2.014 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -177.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo . . . . . 0 N--CA 1.521 3.138 0 N-CA-C 115.041 1.131 . . . . 0.0 115.041 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.74 -50.9 3.72 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.479 0.712 . . . . 0.0 111.73 178.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.11 -38.15 52.77 Favored 'General case' 0 C--N 1.377 1.79 0 C-N-CA 124.595 1.158 . . . . 0.0 112.231 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -31.97 73.02 Favored 'General case' 0 C--N 1.381 1.957 0 O-C-N 124.491 1.12 . . . . 0.0 109.782 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -39.13 88.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 124.897 1.373 . . . . 0.0 111.78 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.8 m -79.19 -20.78 47.52 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 123.65 0.78 . . . . 0.0 112.749 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.65 -47.75 25.06 Favored 'General case' 0 CA--C 1.566 1.596 0 CA-C-N 114.293 -1.322 . . . . 0.0 110.191 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -36.31 74.95 Favored 'General case' 0 C--N 1.393 2.486 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -71.0 -36.32 72.42 Favored 'General case' 0 C--N 1.385 2.111 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.789 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -63.46 -29.54 70.81 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 123.735 0.647 . . . . 0.0 111.017 174.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.2 t -74.61 -45.66 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.384 0 C-N-CA 125.172 1.389 . . . . 0.0 110.935 177.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.67 -28.45 65.88 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 119.194 0.907 . . . . 0.0 111.618 175.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.85 86.7 Favored 'General case' 0 N--CA 1.513 2.714 0 C-N-CA 126.26 1.824 . . . . 0.0 111.364 171.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -36.82 61.7 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 124.911 1.285 . . . . 0.0 110.739 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -63.21 -38.48 91.35 Favored 'General case' 0 N--CA 1.5 2.063 0 C-N-CA 127.078 2.151 . . . . 0.0 111.917 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -69.94 -29.7 66.91 Favored 'General case' 0 N--CA 1.511 2.589 0 C-N-CA 124.411 1.084 . . . . 0.0 111.804 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.77 -18.36 44.4 Favored 'General case' 0 CA--C 1.587 2.369 0 C-N-CA 124.952 1.301 . . . . 0.0 111.815 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.6 mt -111.54 17.33 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.638 0 C-N-CA 128.209 2.604 . . . . 0.0 108.232 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.26 -87.5 0.07 OUTLIER Glycine 0 C--N 1.377 2.807 0 CA-C-O 116.339 -2.367 . . . . 0.0 112.914 -175.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.84 -2.15 3.32 Favored 'Trans proline' 1 C--N 1.423 4.463 0 CA-C-N 122.563 3.181 . . . . 0.0 114.744 174.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.4 -10.44 52.03 Favored 'General case' 0 CA--C 1.578 2.039 0 C-N-CA 127.348 2.259 . . . . 0.0 112.953 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.402 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.498 1.974 0 C-N-CA 126.913 2.085 . . . . 0.0 116.195 178.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 121.877 0.846 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -85.8 -0.24 54.75 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 113.717 -1.583 . . . . 0.0 114.178 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -80.37 -21.74 42.08 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 123.59 0.756 . . . . 0.0 111.716 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mt -88.1 -3.42 58.89 Favored 'General case' 0 C--N 1.389 2.325 0 C-N-CA 124.331 1.052 . . . . 0.0 112.175 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -122.76 157.42 32.4 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 125.124 1.37 . . . . 0.0 112.376 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.06 112.68 18.06 Favored 'General case' 0 C--N 1.375 1.717 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -136.02 159.79 40.62 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.692 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -106.8 48.25 0.85 Allowed 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.31 -69.23 0.48 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 118.029 1.972 . . . . 0.0 118.029 170.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -175.35 65.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 118.72 1.26 . . . . 0.0 109.473 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -140.5 136.95 33.45 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.402 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -70.16 -25.91 63.67 Favored 'General case' 0 N--CA 1.526 3.365 0 O-C-N 124.017 0.823 . . . . 0.0 108.981 170.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.73 -36.74 93.73 Favored Glycine 0 C--N 1.379 2.969 0 C-N-CA 125.264 1.412 . . . . 0.0 114.719 176.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.52 -24.37 42.27 Favored 'General case' 0 C--N 1.392 2.437 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -177.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -81.25 -30.65 34.05 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.4 -38.4 55.71 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 125.404 1.482 . . . . 0.0 113.17 178.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -30.52 67.41 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 125.51 1.524 . . . . 0.0 111.527 177.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -81.18 -29.46 34.61 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 123.377 0.671 . . . . 0.0 109.75 178.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.24 -38.17 66.1 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.646 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -68.72 -37.39 79.43 Favored 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 124.497 1.119 . . . . 0.0 110.139 175.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -72.19 -24.38 61.41 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 126.496 1.919 . . . . 0.0 112.17 177.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.37 -30.6 42.63 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 124.034 0.934 . . . . 0.0 109.443 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.89 -40.92 65.19 Favored 'General case' 0 C--N 1.384 2.099 0 C-N-CA 124.628 1.171 . . . . 0.0 111.031 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.0 p -70.99 -30.33 66.55 Favored 'General case' 0 N--CA 1.505 2.295 0 C-N-CA 125.615 1.566 . . . . 0.0 113.215 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -77.75 -36.77 50.33 Favored 'General case' 0 N--CA 1.505 2.307 0 C-N-CA 123.462 0.705 . . . . 0.0 112.303 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -71.13 -30.83 66.98 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 124.825 1.25 . . . . 0.0 111.713 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.491 ' O ' HG22 ' A' ' 64' ' ' VAL . 1.9 mt-10 -67.78 -33.97 75.88 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 126.206 1.802 . . . . 0.0 111.824 176.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.67 93.76 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 123.53 0.732 . . . . 0.0 109.704 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.28 72.43 Favored 'General case' 0 C--N 1.394 2.523 0 N-CA-C 115.948 1.833 . . . . 0.0 115.948 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 61' ' ' GLU . 15.8 m -68.89 -31.18 49.56 Favored 'Isoleucine or valine' 0 C--N 1.391 2.402 0 CA-C-O 121.752 0.787 . . . . 0.0 111.534 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -74.54 -10.43 59.54 Favored 'General case' 0 CA--C 1.577 1.997 0 C-N-CA 126.826 2.05 . . . . 0.0 111.618 172.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -96.54 -11.12 25.88 Favored 'General case' 0 CA--C 1.575 1.913 0 C-N-CA 125.199 1.4 . . . . 0.0 111.609 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.82 52.48 3.12 Favored Glycine 0 C--N 1.381 3.051 0 N-CA-C 116.497 1.359 . . . . 0.0 116.497 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.14 91.76 3.63 Favored 'General case' 0 C--N 1.372 1.58 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 177.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.61 -20.67 61.24 Favored 'General case' 0 N--CA 1.506 2.354 0 CA-C-N 113.875 -1.511 . . . . 0.0 112.414 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.7 m -70.82 -35.64 72.58 Favored 'General case' 0 CA--C 1.571 1.766 0 C-N-CA 125.437 1.495 . . . . 0.0 109.899 175.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -76.48 -20.45 56.96 Favored 'General case' 0 C--N 1.393 2.499 0 C-N-CA 123.646 0.778 . . . . 0.0 111.774 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.2 t -74.69 -50.98 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 C-N-CA 126.662 1.985 . . . . 0.0 109.266 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.85 -36.06 77.68 Favored 'General case' 0 C--N 1.376 1.76 0 C-N-CA 126.677 1.991 . . . . 0.0 112.797 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -41.58 92.01 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.427 1.491 . . . . 0.0 110.419 173.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -73.99 -33.87 63.99 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 123.812 0.845 . . . . 0.0 110.991 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.99 90.28 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 124.282 1.033 . . . . 0.0 111.994 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.43 -37.81 74.46 Favored 'General case' 0 N--CA 1.516 2.859 0 C-N-CA 125.707 1.603 . . . . 0.0 111.169 176.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -70.86 -32.72 69.81 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 125.785 1.634 . . . . 0.0 111.059 174.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.7 -45.76 77.77 Favored 'General case' 0 CA--C 1.569 1.704 0 C-N-CA 123.98 0.912 . . . . 0.0 111.495 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.482 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -69.23 -40.17 78.08 Favored 'General case' 0 C--N 1.386 2.17 0 C-N-CA 125.091 1.357 . . . . 0.0 113.153 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.55 81.32 Favored 'General case' 0 C--N 1.388 2.274 0 C-N-CA 125.876 1.67 . . . . 0.0 112.153 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -73.34 -27.17 61.36 Favored 'General case' 0 C--N 1.375 1.708 0 CA-C-O 118.306 -0.854 . . . . 0.0 112.284 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 80' ' ' ALA . 21.7 mt -62.76 -45.39 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 CA-C-N 118.658 0.663 . . . . 0.0 109.866 176.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.15 -45.1 82.2 Favored 'General case' 0 N--CA 1.505 2.323 0 C-N-CA 124.668 1.187 . . . . 0.0 112.353 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.02 -43.9 56.37 Favored 'General case' 0 C--N 1.38 1.928 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.5 -44.78 13.29 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 16.9 mt-30 -68.36 -36.48 79.26 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-N 119.339 0.972 . . . . 0.0 112.715 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -78.64 -40.72 33.45 Favored 'General case' 0 CA--C 1.592 2.589 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -75.78 -30.79 59.23 Favored 'General case' 0 C--N 1.399 2.747 0 CA-C-O 121.19 0.519 . . . . 0.0 109.762 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.74 -22.95 49.52 Favored 'General case' 0 C--N 1.383 2.048 0 C-N-CA 125.287 1.435 . . . . 0.0 110.806 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.11 85.13 Favored 'General case' 0 C--N 1.417 3.506 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -79.96 -27.43 39.75 Favored 'General case' 0 C--N 1.391 2.388 0 C-N-CA 124.347 1.059 . . . . 0.0 111.561 174.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.14 62.48 Favored 'General case' 0 C--N 1.377 1.792 0 C-N-CA 124.295 1.038 . . . . 0.0 112.696 173.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 76.0 p -60.04 -8.43 2.35 Favored 'General case' 1 N--CA 1.54 4.073 0 C-N-CA 125.824 1.65 . . . . 0.0 113.674 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.925 0 C-N-CA 126.487 1.915 . . . . 0.0 115.551 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 . . . . . 0 CA--C 1.557 1.218 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.23 -41.67 99.14 Favored 'General case' 0 N--CA 1.515 2.823 0 C-N-CA 123.735 0.814 . . . . 0.0 112.939 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -36.88 79.38 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.383 1.873 . . . . 0.0 112.116 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -70.24 -29.16 65.9 Favored 'General case' 0 C--N 1.379 1.877 0 O-C-N 124.356 1.035 . . . . 0.0 111.023 173.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 3.4 mpt_? -76.17 -45.26 34.24 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 123.648 0.779 . . . . 0.0 110.357 174.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -61.75 2.03 Favored 'General case' 0 CA--C 1.591 2.554 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.0 -45.8 32.74 Favored 'General case' 0 C--N 1.386 2.194 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 39.5 mt-10 -72.53 -33.89 67.19 Favored 'General case' 0 N--CA 1.509 2.488 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -178.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.564 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 5.3 m-85 -67.54 -38.45 84.21 Favored 'General case' 0 C--N 1.39 2.358 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.708 177.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -66.94 -39.47 87.33 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 177.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.58 -42.19 71.36 Favored 'General case' 0 N--CA 1.519 2.988 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -70.45 -36.71 74.1 Favored 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 124.33 1.052 . . . . 0.0 112.536 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 42.2 mt-10 -74.8 -23.32 58.48 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 124.247 1.019 . . . . 0.0 112.101 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -65.44 -49.97 67.13 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 125.513 1.525 . . . . 0.0 113.284 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -72.65 -39.0 67.52 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.01 -33.51 73.37 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 123.544 0.527 . . . . 0.0 110.437 174.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -70.3 -34.8 73.17 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 125.039 1.336 . . . . 0.0 112.117 175.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.26 88.6 Favored 'General case' 0 C--N 1.408 3.134 0 C-N-CA 125.627 1.571 . . . . 0.0 112.52 -178.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.4 mtt -64.18 -39.43 93.98 Favored 'General case' 0 C--N 1.388 2.262 0 O-C-N 124.787 1.304 . . . . 0.0 110.523 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -69.41 -38.15 77.79 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 125.165 1.386 . . . . 0.0 110.668 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -65.7 -37.42 86.41 Favored 'General case' 0 C--N 1.399 2.753 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.98 -39.58 83.27 Favored 'General case' 0 N--CA 1.509 2.494 0 C-N-CA 124.434 1.094 . . . . 0.0 111.169 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -74.46 -25.8 59.64 Favored 'General case' 0 C--N 1.385 2.114 0 C-N-CA 124.597 1.159 . . . . 0.0 112.404 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -68.55 -36.12 78.36 Favored 'General case' 0 N--CA 1.514 2.733 0 C-N-CA 125.488 1.515 . . . . 0.0 111.252 175.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -66.81 -38.35 86.32 Favored 'General case' 0 C--N 1.389 2.307 0 C-N-CA 125.131 1.372 . . . . 0.0 110.399 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.93 -34.95 74.14 Favored 'General case' 0 C--N 1.389 2.295 0 C-N-CA 124.973 1.309 . . . . 0.0 111.524 176.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -68.32 -36.93 80.04 Favored 'General case' 0 C--N 1.393 2.461 0 C-N-CA 124.993 1.317 . . . . 0.0 111.457 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.67 -37.96 89.37 Favored 'General case' 0 CA--C 1.571 1.757 0 C-N-CA 125.331 1.452 . . . . 0.0 113.469 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -90.74 -38.84 12.77 Favored 'General case' 0 C--N 1.387 2.2 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -108.47 -30.22 8.39 Favored 'General case' 0 C--N 1.396 2.603 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -174.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 56.11 26.03 9.69 Favored 'General case' 0 N--CA 1.532 3.653 0 C-N-CA 127.452 2.301 . . . . 0.0 116.686 -178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.44 138.93 59.21 Favored Pre-proline 0 N--CA 1.503 2.175 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -56.97 -14.89 15.45 Favored 'Trans proline' 1 C--N 1.437 5.198 0 C-N-CA 124.753 3.635 . . . . 0.0 116.62 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -69.13 -37.75 78.46 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 124.547 1.139 . . . . 0.0 113.265 -177.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.43 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -78.23 -29.2 48.12 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 126.526 1.931 . . . . 0.0 110.01 -179.56 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.73 -36.91 76.26 Favored 'General case' 0 C--N 1.378 1.813 0 C-N-CA 126.683 1.993 . . . . 0.0 110.135 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.73 -33.69 71.1 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 124.253 1.021 . . . . 0.0 110.73 173.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -71.69 -42.51 67.34 Favored 'General case' 0 N--CA 1.511 2.602 0 C-N-CA 125.185 1.394 . . . . 0.0 114.181 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.3 mt -67.22 -42.99 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.193 0 C-N-CA 125.322 1.449 . . . . 0.0 109.136 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.7 m -62.87 -41.87 99.54 Favored 'General case' 0 CA--C 1.588 2.442 0 C-N-CA 126.025 1.73 . . . . 0.0 111.586 177.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.15 96.51 Favored 'General case' 0 N--CA 1.514 2.747 0 C-N-CA 124.526 1.13 . . . . 0.0 112.496 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.09 -28.26 62.19 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 125.062 1.345 . . . . 0.0 111.834 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -36.56 84.42 Favored 'General case' 0 C--N 1.392 2.442 0 C-N-CA 126.346 1.858 . . . . 0.0 112.238 177.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -75.14 -35.19 61.68 Favored 'General case' 0 C--N 1.388 2.262 0 C-N-CA 125.321 1.448 . . . . 0.0 110.104 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -70.2 -35.76 74.15 Favored 'General case' 0 C--N 1.387 2.215 0 C-N-CA 125.12 1.368 . . . . 0.0 112.834 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -37.9 89.18 Favored 'General case' 0 C--N 1.379 1.885 0 C-N-CA 124.626 1.17 . . . . 0.0 110.271 174.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.1 p -77.11 -37.92 53.23 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 123.818 0.699 . . . . 0.0 112.416 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -69.95 -36.2 75.09 Favored 'General case' 0 N--CA 1.514 2.737 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 178.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 83.0 m -71.09 -39.42 72.14 Favored 'General case' 0 C--N 1.382 1.998 0 C-N-CA 123.756 0.822 . . . . 0.0 111.037 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -59.71 -38.83 82.72 Favored 'General case' 0 C--N 1.392 2.438 0 C-N-CA 125.624 1.57 . . . . 0.0 112.938 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.2 m -69.32 -42.72 75.01 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 125.264 1.426 . . . . 0.0 111.192 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.16 -38.75 86.0 Favored 'General case' 0 C--N 1.381 1.947 0 C-N-CA 126.179 1.792 . . . . 0.0 113.016 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 29.7 mt -69.52 -40.93 80.27 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.065 0 C-N-CA 126.16 1.784 . . . . 0.0 110.601 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.22 95.97 Favored 'General case' 0 C--N 1.39 2.357 0 C-N-CA 124.559 1.144 . . . . 0.0 113.671 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.56 -39.58 80.98 Favored 'General case' 0 N--CA 1.512 2.665 0 C-N-CA 124.954 1.302 . . . . 0.0 112.944 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.8 p -71.45 -32.39 68.26 Favored 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 124.526 1.13 . . . . 0.0 112.696 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -71.57 -35.08 70.46 Favored 'General case' 0 C--N 1.381 1.936 0 C-N-CA 124.838 1.255 . . . . 0.0 112.425 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.13 -37.86 81.55 Favored 'General case' 0 N--CA 1.51 2.55 0 C-N-CA 124.932 1.293 . . . . 0.0 113.257 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.61 -36.06 75.85 Favored 'General case' 0 C--N 1.375 1.677 0 C-N-CA 124.198 0.999 . . . . 0.0 110.279 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.6 mt -71.53 -28.74 64.09 Favored 'General case' 0 C--N 1.394 2.506 0 C-N-CA 125.512 1.525 . . . . 0.0 112.197 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -70.43 -30.46 67.32 Favored 'General case' 0 C--N 1.38 1.909 0 C-N-CA 125.547 1.539 . . . . 0.0 112.519 176.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.385 2.112 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo . . . . . 0 N--CA 1.523 3.227 0 N-CA-C 114.932 1.089 . . . . 0.0 114.932 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mt -99.66 -47.51 5.06 Favored 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 123.5 0.72 . . . . 0.0 111.873 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.25 -36.45 54.49 Favored 'General case' 0 C--N 1.376 1.745 0 C-N-CA 125.083 1.353 . . . . 0.0 112.687 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -33.29 72.17 Favored 'General case' 0 C--N 1.38 1.913 0 O-C-N 124.317 1.01 . . . . 0.0 110.467 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -68.01 -36.21 79.59 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 124.638 1.211 . . . . 0.0 111.387 177.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.3 m -71.59 -40.99 69.52 Favored 'General case' 0 C--N 1.381 1.94 0 C-N-CA 123.97 0.908 . . . . 0.0 110.871 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.58 -44.29 89.75 Favored 'General case' 0 C--N 1.389 2.311 0 O-C-N 124.311 1.007 . . . . 0.0 112.395 173.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -65.38 -39.92 92.87 Favored 'General case' 0 C--N 1.399 2.744 0 C-N-CA 125.223 1.409 . . . . 0.0 114.67 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -69.68 -36.22 75.8 Favored 'General case' 0 C--N 1.379 1.863 0 CA-C-O 117.861 -1.066 . . . . 0.0 109.989 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -62.6 -29.97 71.0 Favored 'General case' 0 N--CA 1.506 2.363 0 C-N-CA 124.121 0.968 . . . . 0.0 111.857 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -74.77 -45.79 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.558 0 C-N-CA 125.165 1.386 . . . . 0.0 110.379 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.29 -27.0 64.06 Favored 'General case' 0 N--CA 1.503 2.208 0 C-N-CA 123.711 0.804 . . . . 0.0 111.249 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.04 88.92 Favored 'General case' 0 N--CA 1.507 2.389 0 C-N-CA 125.378 1.471 . . . . 0.0 109.52 171.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.451 ' HB3' HD12 ' A' ' 21' ' ' ILE . 46.3 mt -73.87 -30.02 62.42 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 125.052 1.341 . . . . 0.0 110.974 175.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -60.47 -39.52 87.88 Favored 'General case' 0 N--CA 1.536 3.831 0 C-N-CA 126.339 1.856 . . . . 0.0 113.414 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.6 p -78.78 -31.77 46.22 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 124.847 1.342 . . . . 0.0 113.112 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -83.2 -24.06 32.58 Favored 'General case' 0 CA--C 1.581 2.159 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 17' ' ' LEU . 70.2 mt -110.77 19.27 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 C-N-CA 128.388 2.675 . . . . 0.0 109.161 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.01 -81.14 0.29 Allowed Glycine 0 N--CA 1.491 2.318 0 CA-C-O 116.558 -2.246 . . . . 0.0 112.53 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -65.66 -2.0 5.72 Favored 'Trans proline' 1 C--N 1.426 4.633 0 CA-C-N 122.586 3.193 . . . . 0.0 116.131 177.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mp -90.68 -6.28 54.7 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 126.002 1.721 . . . . 0.0 112.988 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.57 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.501 2.103 0 C-N-CA 126.373 1.869 . . . . 0.0 115.742 177.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 121.811 0.815 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -83.28 -2.77 56.45 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 113.922 -1.49 . . . . 0.0 114.373 -178.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -79.89 -18.23 51.18 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 123.731 0.812 . . . . 0.0 112.356 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -84.78 -3.92 58.83 Favored 'General case' 0 C--N 1.388 2.248 0 C-N-CA 123.998 0.919 . . . . 0.0 112.992 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.16 158.7 27.41 Favored 'General case' 0 C--N 1.377 1.782 0 C-N-CA 124.455 1.102 . . . . 0.0 111.521 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.87 108.94 14.53 Favored 'General case' 0 C--N 1.383 2.031 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.6 t -155.91 165.03 37.71 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.051 -1.886 . . . . 0.0 108.795 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -109.64 -27.9 9.13 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.738 0.815 . . . . 0.0 112.071 -178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.74 75.98 0.58 Allowed Glycine 0 C--N 1.377 2.815 0 N-CA-C 106.865 -2.494 . . . . 0.0 106.865 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.83 -62.64 1.17 Allowed 'General case' 0 C--N 1.379 1.876 0 O-C-N 124.502 0.766 . . . . 0.0 111.506 -171.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 176.94 178.68 0.24 Allowed 'General case' 0 C--N 1.41 3.219 0 O-C-N 126.002 2.064 . . . . 0.0 112.954 -173.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.57 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 1.3 mt -67.98 -23.48 65.03 Favored 'General case' 0 N--CA 1.529 3.508 0 C-N-CA 125.5 1.52 . . . . 0.0 108.265 169.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.35 -36.25 88.27 Favored Glycine 0 C--N 1.381 3.031 0 C-N-CA 125.427 1.489 . . . . 0.0 113.887 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.99 -21.38 43.7 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 117.107 0.454 . . . . 0.0 111.574 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -81.14 -32.86 33.53 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.3 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -77.52 -36.37 52.52 Favored 'General case' 0 C--N 1.372 1.566 0 C-N-CA 124.938 1.295 . . . . 0.0 112.469 176.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.99 -37.63 75.79 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.956 1.302 . . . . 0.0 112.003 178.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.61 -29.97 56.74 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 123.692 0.797 . . . . 0.0 111.039 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.57 -39.59 67.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 124.893 1.371 . . . . 0.0 111.851 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.6 -36.35 76.12 Favored 'General case' 0 N--CA 1.505 2.319 0 C-N-CA 124.769 1.228 . . . . 0.0 111.414 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -72.61 -25.52 61.34 Favored 'General case' 0 C--N 1.385 2.129 0 C-N-CA 126.593 1.957 . . . . 0.0 112.354 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.7 m -78.78 -30.01 45.34 Favored 'General case' 0 C--N 1.386 2.167 0 C-N-CA 123.598 0.759 . . . . 0.0 109.441 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.7 tp -70.84 -41.86 70.92 Favored 'General case' 0 C--N 1.388 2.255 0 C-N-CA 125.835 1.654 . . . . 0.0 110.252 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.4 p -71.73 -30.48 65.67 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 125.166 1.386 . . . . 0.0 112.9 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -78.22 -39.72 39.59 Favored 'General case' 0 N--CA 1.518 2.927 0 C-N-CA 124.18 0.992 . . . . 0.0 113.524 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -66.49 -33.12 74.98 Favored 'General case' 0 C--N 1.39 2.349 0 C-N-CA 124.356 1.062 . . . . 0.0 110.208 176.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.435 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 8.7 mt-10 -63.62 -33.62 76.03 Favored 'General case' 0 C--N 1.387 2.237 0 C-N-CA 126.555 1.942 . . . . 0.0 112.145 175.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.69 95.0 Favored 'General case' 0 C--N 1.394 2.524 0 C-N-CA 124.146 0.979 . . . . 0.0 112.86 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.45 -29.94 67.74 Favored 'General case' 0 N--CA 1.51 2.541 0 C-N-CA 123.542 0.737 . . . . 0.0 112.234 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.435 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 55.4 t -62.82 -37.8 80.1 Favored 'Isoleucine or valine' 0 C--N 1.381 1.959 0 C-N-CA 126.499 1.92 . . . . 0.0 109.775 175.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -55.02 -33.12 62.37 Favored 'General case' 0 C--N 1.396 2.607 0 C-N-CA 125.083 1.353 . . . . 0.0 112.312 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -69.68 -38.27 76.97 Favored 'General case' 0 C--N 1.402 2.876 0 C-N-CA 125.477 1.511 . . . . 0.0 112.076 176.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.89 33.44 2.4 Favored Glycine 0 C--N 1.376 2.759 0 N-CA-C 116.562 1.385 . . . . 0.0 116.562 174.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.68 113.0 24.42 Favored 'General case' 0 C--N 1.38 1.895 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.72 -27.73 64.2 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 113.137 -1.847 . . . . 0.0 113.043 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.5 m -72.17 -38.05 69.2 Favored 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 124.731 1.212 . . . . 0.0 110.85 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.5 -23.44 56.75 Favored 'General case' 0 C--N 1.389 2.323 0 C-N-CA 124.168 0.987 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.9 t -76.29 -47.06 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 125.956 1.702 . . . . 0.0 109.884 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.53 -37.75 85.67 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 127.239 2.216 . . . . 0.0 112.767 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.87 -48.91 74.8 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 126.414 1.886 . . . . 0.0 109.047 173.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.05 -43.66 98.56 Favored 'General case' 0 N--CA 1.511 2.576 0 O-C-N 125.036 1.46 . . . . 0.0 112.019 174.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.63 -42.08 91.93 Favored 'General case' 0 N--CA 1.511 2.609 0 C-N-CA 124.884 1.274 . . . . 0.0 113.775 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.6 -39.12 73.98 Favored 'General case' 0 N--CA 1.514 2.734 0 C-N-CA 125.266 1.427 . . . . 0.0 111.967 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.03 -33.8 68.3 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 124.706 1.203 . . . . 0.0 110.698 174.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.472 ' O ' HG23 ' A' ' 83' ' ' ILE . 0.5 OUTLIER -66.11 -46.36 77.89 Favored 'General case' 0 C--N 1.38 1.926 0 CA-C-O 117.713 -1.137 . . . . 0.0 111.855 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.46 -36.49 76.63 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 124.503 1.121 . . . . 0.0 112.757 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.66 81.2 Favored 'General case' 0 C--N 1.385 2.138 0 C-N-CA 125.678 1.591 . . . . 0.0 110.638 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -73.97 -27.77 61.15 Favored 'General case' 0 C--N 1.376 1.748 0 C-N-CA 123.931 0.893 . . . . 0.0 112.594 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.565 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -64.66 -43.59 96.64 Favored 'Isoleucine or valine' 0 C--N 1.389 2.287 0 CA-C-N 118.334 0.516 . . . . 0.0 110.649 177.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.84 -44.78 76.38 Favored 'General case' 0 N--CA 1.503 2.202 0 C-N-CA 125.532 1.533 . . . . 0.0 112.101 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.79 -44.73 55.08 Favored 'General case' 0 C--N 1.379 1.852 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.3 mp -86.79 -42.61 13.16 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.565 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -68.27 -38.47 81.76 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 118.781 -0.628 . . . . 0.0 112.006 178.736 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -78.76 -40.25 33.8 Favored 'General case' 0 C--N 1.386 2.154 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -72.48 -33.04 66.71 Favored 'General case' 0 N--CA 1.515 2.822 0 CA-C-N 119.4 1.0 . . . . 0.0 110.319 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.59 -31.16 63.43 Favored 'General case' 0 C--N 1.385 2.144 0 C-N-CA 124.054 0.941 . . . . 0.0 109.973 175.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.05 -34.75 77.05 Favored 'General case' 0 C--N 1.411 3.274 0 C-N-CA 124.735 1.214 . . . . 0.0 114.112 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.6 p -84.15 -21.28 31.41 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 119.071 0.851 . . . . 0.0 110.287 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.17 -28.81 60.22 Favored 'General case' 0 C--N 1.39 2.363 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.989 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.07 -8.64 58.49 Favored 'General case' 0 C--N 1.398 2.689 0 C-N-CA 125.575 1.55 . . . . 0.0 112.012 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.498 1.949 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 -179.674 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.949 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.88 -36.01 72.58 Favored 'General case' 0 C--N 1.384 2.078 0 C-N-CA 125.657 1.583 . . . . 0.0 111.806 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -70.15 -33.25 71.55 Favored 'General case' 0 C--N 1.387 2.212 0 C-N-CA 124.605 1.162 . . . . 0.0 111.231 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.64 -36.91 83.69 Favored 'General case' 0 C--N 1.386 2.163 0 C-N-CA 125.862 1.665 . . . . 0.0 110.66 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.593 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 1.1 mpt_? -74.58 -50.22 18.78 Favored 'General case' 0 C--N 1.375 1.698 0 C-N-CA 123.929 0.892 . . . . 0.0 111.013 175.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.15 -60.22 3.92 Favored 'General case' 0 CA--C 1.601 2.908 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -83.52 -44.19 14.94 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 40.5 mt-10 -71.91 -33.84 68.63 Favored 'General case' 0 N--CA 1.508 2.468 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 -178.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.593 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 5.6 m-85 -68.8 -38.85 80.22 Favored 'General case' 0 C--N 1.392 2.441 0 CA-C-O 118.714 -0.66 . . . . 0.0 111.717 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -65.71 -38.97 90.68 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.87 -42.73 85.11 Favored 'General case' 0 N--CA 1.52 3.069 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -69.23 -37.32 77.95 Favored 'General case' 0 N--CA 1.508 2.441 0 C-N-CA 124.294 1.038 . . . . 0.0 112.649 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -71.33 -28.44 64.09 Favored 'General case' 0 C--N 1.379 1.861 0 C-N-CA 124.824 1.25 . . . . 0.0 112.206 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -65.47 -47.75 75.02 Favored 'General case' 0 N--CA 1.504 2.253 0 C-N-CA 125.777 1.631 . . . . 0.0 114.285 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.72 -39.23 67.09 Favored 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.42 -33.06 73.07 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 123.556 0.535 . . . . 0.0 110.404 174.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -34.11 73.18 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 125.016 1.326 . . . . 0.0 112.341 175.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.95 86.1 Favored 'General case' 0 C--N 1.404 2.975 0 C-N-CA 125.473 1.509 . . . . 0.0 112.816 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.6 mtt -64.65 -40.21 95.03 Favored 'General case' 0 C--N 1.391 2.377 0 O-C-N 124.685 1.24 . . . . 0.0 110.642 177.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 94.8 mttt -67.26 -40.68 86.23 Favored 'General case' 0 C--N 1.384 2.103 0 C-N-CA 124.814 1.245 . . . . 0.0 110.797 176.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.23 -44.09 92.94 Favored 'General case' 0 N--CA 1.517 2.905 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 -176.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -70.82 -41.09 72.0 Favored 'General case' 0 N--CA 1.51 2.537 0 C-N-CA 123.887 0.875 . . . . 0.0 113.072 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.62 -34.4 74.02 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 124.46 1.104 . . . . 0.0 112.979 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 47.3 mt-10 -70.27 -39.6 74.83 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -71.18 -40.69 71.07 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-N 119.124 0.875 . . . . 0.0 112.758 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.25 -41.7 63.39 Favored 'General case' 0 C--N 1.391 2.39 0 CA-C-N 113.465 -1.698 . . . . 0.0 114.932 -173.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -90.54 -8.21 50.88 Favored 'General case' 0 CA--C 1.578 2.033 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -65.35 -38.84 91.29 Favored 'General case' 0 N--CA 1.516 2.862 0 C-N-CA 125.588 1.555 . . . . 0.0 111.944 174.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -81.83 -13.18 58.0 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 125.44 1.496 . . . . 0.0 112.678 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -94.97 -24.88 16.75 Favored 'General case' 0 C--N 1.383 2.064 0 C-N-CA 125.152 1.381 . . . . 0.0 109.328 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 65.13 30.93 11.29 Favored 'General case' 0 N--CA 1.521 3.125 0 C-N-CA 127.565 2.346 . . . . 0.0 112.317 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.79 125.78 83.56 Favored Pre-proline 0 CA--C 1.571 1.753 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -177.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -58.27 -9.71 7.08 Favored 'Trans proline' 1 C--N 1.429 4.792 0 C-N-CA 124.686 3.591 . . . . 0.0 114.228 173.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -61.51 -27.69 68.78 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 123.68 0.792 . . . . 0.0 110.959 175.51 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 21.6 mt -56.33 -44.56 80.12 Favored 'General case' 0 N--CA 1.516 2.856 0 C-N-CA 126.438 1.895 . . . . 0.0 113.104 174.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.05 72.3 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.671 1.588 . . . . 0.0 110.808 -174.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -72.03 -37.54 69.71 Favored 'General case' 0 CA--C 1.583 2.24 0 O-C-N 124.161 0.913 . . . . 0.0 111.864 174.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 39.7 mt-10 -77.36 -51.15 11.31 Favored 'General case' 0 N--CA 1.512 2.663 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 -177.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -38.16 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.795 0 CA-C-N 119.561 1.073 . . . . 0.0 111.288 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 97.1 m -63.08 -40.46 97.74 Favored 'General case' 0 CA--C 1.584 2.283 0 CA-C-N 118.516 0.598 . . . . 0.0 110.598 177.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.81 85.58 Favored 'General case' 0 N--CA 1.509 2.475 0 C-N-CA 124.266 1.026 . . . . 0.0 112.856 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 13.1 mt -73.46 -31.32 63.72 Favored 'General case' 0 C--N 1.38 1.921 0 C-N-CA 124.708 1.203 . . . . 0.0 111.934 177.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -29.85 68.13 Favored 'General case' 0 C--N 1.392 2.428 0 C-N-CA 125.594 1.558 . . . . 0.0 112.232 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -75.47 -35.48 60.86 Favored 'General case' 0 C--N 1.387 2.225 0 C-N-CA 124.975 1.31 . . . . 0.0 109.16 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -71.37 -35.58 71.14 Favored 'General case' 0 C--N 1.387 2.199 0 C-N-CA 125.676 1.59 . . . . 0.0 112.465 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.45 -38.91 92.66 Favored 'General case' 0 C--N 1.381 1.937 0 C-N-CA 124.476 1.111 . . . . 0.0 110.106 174.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.7 p -77.01 -38.7 52.47 Favored 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 123.662 0.785 . . . . 0.0 112.845 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -72.66 -33.36 66.52 Favored 'General case' 0 N--CA 1.517 2.898 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 76.2 m -71.65 -39.1 70.57 Favored 'General case' 0 C--N 1.385 2.142 0 C-N-CA 123.503 0.721 . . . . 0.0 110.502 177.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -59.17 -39.39 82.37 Favored 'General case' 0 C--N 1.394 2.528 0 C-N-CA 125.618 1.567 . . . . 0.0 113.268 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 6.8 m -70.36 -40.85 73.78 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 124.96 1.304 . . . . 0.0 111.52 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.67 -37.64 76.74 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 125.778 1.631 . . . . 0.0 112.805 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 16.2 mt -70.04 -39.95 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.839 0 C-N-CA 126.094 1.758 . . . . 0.0 110.971 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.95 97.75 Favored 'General case' 0 C--N 1.391 2.394 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.09 -41.65 67.07 Favored 'General case' 0 N--CA 1.51 2.541 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.8 p -71.66 -39.48 70.3 Favored 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.03 -35.39 69.37 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.989 0.915 . . . . 0.0 113.195 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -70.05 -35.41 74.25 Favored 'General case' 0 N--CA 1.507 2.396 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -71.26 -36.02 71.61 Favored 'General case' 0 C--N 1.375 1.695 0 O-C-N 124.289 0.993 . . . . 0.0 110.891 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.76 -35.41 67.45 Favored 'General case' 0 C--N 1.39 2.36 0 C-N-CA 125.816 1.646 . . . . 0.0 112.229 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.31 -19.13 60.58 Favored 'General case' 0 C--N 1.379 1.878 0 C-N-CA 124.88 1.272 . . . . 0.0 113.424 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.379 1.873 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 CA--C 1.589 3.272 0 N-CA-C 117.443 2.055 . . . . 0.0 117.443 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mt -86.64 -35.33 19.43 Favored 'General case' 0 N--CA 1.506 2.326 0 C-N-CA 123.408 0.683 . . . . 0.0 111.868 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -36.14 51.95 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 125.147 1.379 . . . . 0.0 112.729 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.35 -31.35 67.25 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 123.923 0.889 . . . . 0.0 109.966 178.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -66.22 -37.57 85.86 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 124.434 1.084 . . . . 0.0 111.722 176.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.3 m -70.92 -41.1 71.66 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 124.212 1.005 . . . . 0.0 110.917 176.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.58 -44.94 85.72 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 124.455 1.102 . . . . 0.0 112.242 173.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -65.37 -38.51 90.26 Favored 'General case' 0 C--N 1.397 2.669 0 C-N-CA 125.363 1.465 . . . . 0.0 114.667 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -68.74 -37.06 79.15 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.247 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.73 -31.72 71.91 Favored 'General case' 0 N--CA 1.504 2.257 0 C-N-CA 124.7 1.2 . . . . 0.0 111.804 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -74.43 -43.82 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.449 0 C-N-CA 125.116 1.366 . . . . 0.0 110.122 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -28.89 66.76 Favored 'General case' 0 N--CA 1.507 2.381 0 C-N-CA 124.023 0.929 . . . . 0.0 111.052 174.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.74 88.3 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 125.478 1.511 . . . . 0.0 109.423 172.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.64 -36.86 73.64 Favored 'General case' 0 C--N 1.375 1.68 0 C-N-CA 124.802 1.241 . . . . 0.0 110.935 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -59.61 -38.17 80.55 Favored 'General case' 0 N--CA 1.528 3.437 0 C-N-CA 125.995 1.718 . . . . 0.0 112.735 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.82 -15.03 49.84 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 177.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.18 -29.69 11.97 Favored 'General case' 0 C--N 1.376 1.736 0 C-N-CA 124.116 0.966 . . . . 0.0 111.04 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.99 15.53 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 C-N-CA 127.29 2.236 . . . . 0.0 112.074 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.54 -72.77 0.71 Allowed Glycine 0 N--CA 1.484 1.881 0 CA-C-O 116.702 -2.165 . . . . 0.0 113.166 -175.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.53 -2.38 7.27 Favored 'Trans proline' 1 C--N 1.423 4.456 0 CA-C-N 122.068 2.934 . . . . 0.0 116.136 177.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mt -89.31 -13.82 37.11 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.243 1.417 . . . . 0.0 112.728 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.567 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.506 2.339 0 C-N-CA 126.522 1.929 . . . . 0.0 115.881 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 122.977 1.37 . . . . 0.0 111.835 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -84.28 -12.68 54.25 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 112.665 -2.062 . . . . 0.0 112.557 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -79.99 -24.02 41.16 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 124.43 1.092 . . . . 0.0 111.385 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.81 -5.78 30.49 Favored 'General case' 0 C--N 1.386 2.191 0 O-C-N 123.557 0.536 . . . . 0.0 112.059 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.51 154.46 32.5 Favored 'General case' 0 C--N 1.382 2.018 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.85 110.46 15.47 Favored 'General case' 0 C--N 1.378 1.846 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.1 t -159.91 145.25 15.32 Favored 'General case' 0 C--O 1.25 1.106 0 CA-C-N 113.407 -1.724 . . . . 0.0 107.697 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -94.66 -21.6 18.69 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.769 -1.105 . . . . 0.0 113.759 -177.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.72 78.52 1.19 Allowed Glycine 0 N--CA 1.501 2.999 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.67 -54.27 1.33 Allowed 'General case' 0 C--N 1.378 1.807 0 O-C-N 123.845 0.379 . . . . 0.0 110.609 -173.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -179.11 175.47 0.96 Allowed 'General case' 0 C--N 1.409 3.162 0 O-C-N 126.145 2.153 . . . . 0.0 112.492 -173.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.567 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -68.13 -22.53 64.87 Favored 'General case' 0 N--CA 1.529 3.479 0 C-N-CA 125.338 1.455 . . . . 0.0 108.248 169.311 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.66 -35.35 85.72 Favored Glycine 0 C--N 1.378 2.898 0 C-N-CA 126.344 1.926 . . . . 0.0 114.14 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.63 -22.03 44.13 Favored 'General case' 0 C--N 1.391 2.403 0 CA-C-N 117.409 0.604 . . . . 0.0 111.557 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -81.59 -32.44 32.09 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 114.634 -1.166 . . . . 0.0 109.642 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.54 -36.48 52.26 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 124.905 1.282 . . . . 0.0 112.38 177.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.12 -35.92 71.94 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 125.096 1.358 . . . . 0.0 112.45 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -79.58 -28.6 41.12 Favored 'General case' 0 C--N 1.378 1.818 0 C-N-CA 123.517 0.727 . . . . 0.0 110.61 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.55 -39.54 67.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 125.008 1.442 . . . . 0.0 111.049 176.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -68.83 -37.34 79.11 Favored 'General case' 0 C--N 1.38 1.933 0 C-N-CA 124.785 1.234 . . . . 0.0 110.244 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.13 -25.71 61.83 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 125.895 1.678 . . . . 0.0 112.348 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.4 m -78.66 -30.09 46.07 Favored 'General case' 0 C--N 1.385 2.146 0 C-N-CA 123.894 0.878 . . . . 0.0 109.882 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.73 -42.17 64.4 Favored 'General case' 0 C--N 1.386 2.181 0 C-N-CA 124.439 1.096 . . . . 0.0 110.685 176.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.8 p -70.33 -29.15 65.79 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 126.038 1.735 . . . . 0.0 113.431 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -76.98 -39.9 48.77 Favored 'General case' 0 N--CA 1.512 2.639 0 C-N-CA 123.596 0.758 . . . . 0.0 112.333 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.24 -33.91 76.34 Favored 'General case' 0 C--N 1.392 2.42 0 C-N-CA 124.798 1.239 . . . . 0.0 111.078 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.484 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 29.8 mt-10 -63.82 -35.12 79.58 Favored 'General case' 0 C--N 1.388 2.278 0 C-N-CA 126.128 1.771 . . . . 0.0 112.12 175.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.98 89.37 Favored 'General case' 0 C--N 1.39 2.358 0 C-N-CA 123.699 0.8 . . . . 0.0 112.73 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.64 -30.26 67.92 Favored 'General case' 0 C--N 1.392 2.451 0 C-N-CA 123.507 0.723 . . . . 0.0 112.129 173.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.484 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 64.8 t -61.79 -38.81 81.37 Favored 'Isoleucine or valine' 0 C--N 1.387 2.221 0 C-N-CA 126.393 1.877 . . . . 0.0 109.786 175.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -53.69 -34.89 60.25 Favored 'General case' 0 C--N 1.395 2.564 0 C-N-CA 124.856 1.262 . . . . 0.0 112.205 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -70.58 -38.87 74.12 Favored 'General case' 0 C--N 1.404 2.958 0 C-N-CA 125.465 1.506 . . . . 0.0 112.739 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.48 33.95 2.58 Favored Glycine 0 C--N 1.378 2.866 0 N-CA-C 116.202 1.241 . . . . 0.0 116.202 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.89 114.72 23.76 Favored 'General case' 0 C--N 1.382 2.013 0 CA-C-O 122.023 0.916 . . . . 0.0 109.35 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.22 -34.13 74.37 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 112.751 -2.022 . . . . 0.0 113.231 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.1 m -71.15 -37.54 72.24 Favored 'General case' 0 CA--C 1.574 1.87 0 C-N-CA 124.765 1.226 . . . . 0.0 111.482 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.52 -21.85 57.62 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 123.839 0.856 . . . . 0.0 112.075 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.4 HG13 HD22 ' A' ' 127' ' ' ASN . 3.8 t -78.32 -47.81 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 125.809 1.644 . . . . 0.0 110.003 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.13 -37.76 84.39 Favored 'General case' 0 C--N 1.389 2.32 0 C-N-CA 127.544 2.338 . . . . 0.0 112.518 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.19 -46.05 90.65 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 125.506 1.523 . . . . 0.0 108.931 172.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.78 -38.83 90.09 Favored 'General case' 0 N--CA 1.504 2.252 0 C-N-CA 124.973 1.309 . . . . 0.0 111.517 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.19 96.55 Favored 'General case' 0 N--CA 1.515 2.81 0 C-N-CA 125.199 1.4 . . . . 0.0 112.697 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.75 -35.93 70.27 Favored 'General case' 0 N--CA 1.517 2.88 0 C-N-CA 126.153 1.781 . . . . 0.0 110.978 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -69.36 -32.16 71.05 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 125.066 1.346 . . . . 0.0 109.723 172.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -44.52 72.71 Favored 'General case' 0 C--N 1.379 1.879 0 C-N-CA 124.692 1.197 . . . . 0.0 111.534 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.1 -41.14 82.26 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 125.153 1.381 . . . . 0.0 112.55 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.79 -36.58 80.7 Favored 'General case' 0 C--N 1.387 2.229 0 C-N-CA 126.277 1.831 . . . . 0.0 111.832 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -73.84 -27.57 61.17 Favored 'General case' 0 C--N 1.374 1.654 0 C-N-CA 123.709 0.804 . . . . 0.0 112.793 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 32.2 mt -64.08 -46.94 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 1.5 mt-10 -66.23 -46.15 78.18 Favored 'General case' 0 N--CA 1.503 2.211 0 C-N-CA 124.792 1.237 . . . . 0.0 112.368 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.36 -45.72 53.36 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.7 mt -86.48 -42.68 13.37 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.574 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 32.6 mt-30 -66.65 -38.4 86.8 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 123.827 0.705 . . . . 0.0 111.941 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.2 ttt180 -79.42 -36.81 38.43 Favored 'General case' 0 C--N 1.391 2.373 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.97 -27.46 54.76 Favored 'General case' 0 C--N 1.389 2.317 0 CA-C-N 119.206 0.912 . . . . 0.0 110.455 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.82 -27.66 55.24 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 124.216 1.006 . . . . 0.0 108.852 173.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.21 64.52 Favored 'General case' 0 C--N 1.411 3.268 0 C-N-CA 125.179 1.392 . . . . 0.0 112.834 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 p -85.8 -22.78 27.48 Favored 'General case' 0 C--N 1.379 1.887 0 C-N-CA 125.14 1.376 . . . . 0.0 109.723 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.92 -27.81 55.04 Favored 'General case' 0 C--N 1.386 2.178 0 C-N-CA 125.482 1.513 . . . . 0.0 111.518 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.3 p -79.17 -10.58 59.86 Favored 'General case' 0 N--CA 1.514 2.753 0 C-N-CA 125.236 1.414 . . . . 0.0 111.699 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.3 tt . . . . . 0 N--CA 1.493 1.717 0 C-N-CA 126.773 2.029 . . . . 0.0 109.712 179.122 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.567 1.61 0 CA-C-O 119.625 -0.226 . . . . 0.0 111.472 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.92 -29.0 64.93 Favored 'General case' 0 N--CA 1.513 2.708 0 C-N-CA 124.34 1.056 . . . . 0.0 112.949 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -68.9 -36.87 78.55 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 124.871 1.269 . . . . 0.0 110.755 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -67.94 -35.99 79.36 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 125.984 1.714 . . . . 0.0 111.629 175.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 6.8 mpt_? -72.51 -49.23 34.38 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 123.77 0.828 . . . . 0.0 110.931 175.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.43 -60.16 4.14 Favored 'General case' 0 CA--C 1.592 2.576 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.81 -44.74 26.49 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 116.909 2.188 . . . . 0.0 116.909 -175.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 43.6 mt-10 -71.98 -36.5 69.82 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -178.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 8.2 m-85 -68.83 -41.46 78.53 Favored 'General case' 0 C--N 1.388 2.257 0 C-N-CA 123.253 0.621 . . . . 0.0 112.377 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -70.38 -38.39 74.71 Favored 'General case' 0 C--N 1.384 2.095 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.59 -43.77 72.13 Favored 'General case' 0 N--CA 1.518 2.933 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -70.29 -36.89 74.66 Favored 'General case' 0 N--CA 1.505 2.303 0 C-N-CA 124.373 1.069 . . . . 0.0 113.348 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -67.81 -37.03 81.44 Favored 'General case' 0 C--N 1.379 1.884 0 C-N-CA 124.737 1.215 . . . . 0.0 113.269 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -66.41 -41.82 88.7 Favored 'General case' 0 C--N 1.383 2.043 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -72.32 -41.46 66.52 Favored 'General case' 0 N--CA 1.51 2.553 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 178.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.0 -34.23 71.62 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-N 118.405 0.548 . . . . 0.0 110.515 174.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -30.54 65.3 Favored 'General case' 0 C--N 1.377 1.767 0 C-N-CA 124.785 1.234 . . . . 0.0 113.533 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.55 87.94 Favored 'General case' 0 C--N 1.402 2.885 0 C-N-CA 125.089 1.356 . . . . 0.0 111.852 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.53 -37.51 86.96 Favored 'General case' 0 C--N 1.395 2.58 0 O-C-N 125.086 1.491 . . . . 0.0 110.767 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -67.62 -38.14 83.49 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 125.203 1.401 . . . . 0.0 111.144 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.4 HD22 HG13 ' A' ' 72' ' ' VAL . 3.5 m120 -73.37 -44.84 57.86 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 -178.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.32 -41.39 80.89 Favored 'General case' 0 N--CA 1.515 2.817 0 C-N-CA 124.429 1.091 . . . . 0.0 113.403 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.21 -37.88 86.61 Favored 'General case' 0 C--N 1.384 2.101 0 C-N-CA 124.637 1.175 . . . . 0.0 112.009 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 0.9 OUTLIER -66.73 -36.27 82.06 Favored 'General case' 0 C--N 1.39 2.364 0 CA-C-O 117.337 -1.316 . . . . 0.0 113.585 178.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -69.33 -47.32 64.78 Favored 'General case' 0 C--O 1.276 2.453 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -175.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -73.28 -39.46 65.35 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 113.297 -1.774 . . . . 0.0 113.958 -174.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.532 ' HB2' HD21 ' A' ' 141' ' ' LEU . 73.9 m-85 -89.54 -10.52 45.85 Favored 'General case' 0 CA--C 1.578 2.048 0 C-N-CA 124.049 0.94 . . . . 0.0 113.464 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -64.52 -37.1 86.39 Favored 'General case' 0 N--CA 1.521 3.077 0 C-N-CA 125.684 1.594 . . . . 0.0 111.95 175.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -78.18 -14.7 59.35 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 125.92 1.688 . . . . 0.0 113.545 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.74 -23.19 16.03 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 124.917 1.287 . . . . 0.0 110.011 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 70.81 82.63 0.15 Allowed 'General case' 0 C--N 1.395 2.571 0 C-N-CA 128.008 2.523 . . . . 0.0 109.813 -176.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.03 104.07 46.98 Favored Pre-proline 0 CA--C 1.558 1.278 0 CA-C-N 112.151 -2.295 . . . . 0.0 113.535 -177.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -62.45 -9.54 15.9 Favored 'Trans proline' 1 C--N 1.434 5.027 0 C-N-CA 124.225 3.283 . . . . 0.0 112.648 171.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 35.7 tt0 -58.41 -37.08 74.6 Favored 'General case' 0 CA--C 1.577 1.999 0 C-N-CA 125.46 1.504 . . . . 0.0 111.795 175.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 133' ' ' TYR . 8.1 mt -66.33 -32.7 74.26 Favored 'General case' 0 N--CA 1.517 2.902 0 C-N-CA 126.044 1.738 . . . . 0.0 112.642 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.18 77.21 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 114.25 -1.341 . . . . 0.0 109.702 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -72.14 -38.75 69.17 Favored 'General case' 0 CA--C 1.583 2.225 0 C-N-CA 123.679 0.792 . . . . 0.0 111.945 173.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 23.8 mt-10 -76.94 -45.97 25.85 Favored 'General case' 0 N--CA 1.515 2.781 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 73.2 mt -68.02 -41.88 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.063 0 C-N-CA 125.65 1.58 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 86.0 m -62.67 -40.42 97.04 Favored 'General case' 0 CA--C 1.584 2.265 0 O-C-N 124.523 1.14 . . . . 0.0 110.255 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.71 93.37 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 124.54 1.136 . . . . 0.0 112.457 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.27 -28.08 61.05 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 125.015 1.326 . . . . 0.0 111.747 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -31.63 71.33 Favored 'General case' 0 C--N 1.393 2.467 0 C-N-CA 126.122 1.769 . . . . 0.0 111.744 177.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -75.01 -34.43 61.92 Favored 'General case' 0 C--N 1.388 2.271 0 C-N-CA 125.329 1.452 . . . . 0.0 109.275 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -71.44 -35.34 70.9 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 125.219 1.408 . . . . 0.0 112.669 178.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.66 -41.29 98.23 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 124.832 1.253 . . . . 0.0 109.894 173.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.6 p -75.86 -37.25 59.12 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 123.959 0.787 . . . . 0.0 112.671 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -73.48 -29.39 62.48 Favored 'General case' 0 N--CA 1.516 2.86 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 178.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 5.3 t -75.92 -35.34 59.8 Favored 'General case' 0 C--N 1.38 1.928 0 C-N-CA 124.242 1.017 . . . . 0.0 109.891 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -67.34 -38.82 85.47 Favored 'General case' 0 C--N 1.393 2.493 0 C-N-CA 125.309 1.443 . . . . 0.0 111.552 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 20.7 m -70.3 -41.09 73.81 Favored 'General case' 0 C--N 1.384 2.083 0 C-N-CA 125.937 1.695 . . . . 0.0 111.311 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.59 87.31 Favored 'General case' 0 C--N 1.381 1.978 0 C-N-CA 125.945 1.698 . . . . 0.0 112.765 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 39.2 mt -70.57 -40.24 77.01 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.175 0 C-N-CA 125.691 1.597 . . . . 0.0 110.088 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.43 99.31 Favored 'General case' 0 C--N 1.393 2.492 0 C-N-CA 124.554 1.141 . . . . 0.0 113.796 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.0 -39.5 79.27 Favored 'General case' 0 N--CA 1.512 2.658 0 C-N-CA 125.131 1.372 . . . . 0.0 113.293 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 14.9 p -71.61 -30.16 65.48 Favored 'General case' 0 N--CA 1.508 2.436 0 C-N-CA 124.473 1.109 . . . . 0.0 112.425 178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.82 -31.76 65.04 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 124.735 1.214 . . . . 0.0 112.174 177.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.16 -37.1 80.65 Favored 'General case' 0 N--CA 1.513 2.69 0 C-N-CA 125.068 1.347 . . . . 0.0 112.318 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.14 -33.03 71.3 Favored 'General case' 0 C--N 1.376 1.757 0 C-N-CA 124.797 1.239 . . . . 0.0 110.481 176.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.9 mt -73.45 -29.21 62.4 Favored 'General case' 0 C--N 1.39 2.332 0 C-N-CA 125.422 1.489 . . . . 0.0 112.124 177.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.56 -32.29 71.0 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 125.853 1.661 . . . . 0.0 112.779 177.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 . . . . . 0 C--N 1.383 2.064 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -177.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo . . . . . 0 CA--C 1.58 2.82 0 N-CA-C 113.644 0.594 . . . . 0.0 113.644 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.04 -48.09 5.26 Favored 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 123.084 0.554 . . . . 0.0 111.565 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -38.07 50.4 Favored 'General case' 0 C--N 1.372 1.577 0 C-N-CA 125.195 1.398 . . . . 0.0 112.435 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -33.04 72.93 Favored 'General case' 0 C--N 1.381 1.971 0 C-N-CA 124.486 1.115 . . . . 0.0 111.683 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -69.49 -37.54 77.28 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 124.558 1.161 . . . . 0.0 111.522 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.5 m -71.48 -40.77 70.03 Favored 'General case' 0 C--N 1.383 2.065 0 C-N-CA 123.634 0.774 . . . . 0.0 111.343 176.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mt -58.86 -44.71 91.09 Favored 'General case' 0 C--N 1.388 2.278 0 O-C-N 124.336 1.022 . . . . 0.0 112.27 173.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -65.49 -39.56 92.06 Favored 'General case' 0 C--N 1.397 2.641 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -70.04 -36.93 75.41 Favored 'General case' 0 C--N 1.378 1.827 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.777 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.89 -30.4 71.5 Favored 'General case' 0 N--CA 1.51 2.537 0 C-N-CA 124.268 1.027 . . . . 0.0 111.803 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.63 -44.94 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.332 0 C-N-CA 125.357 1.463 . . . . 0.0 110.021 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.17 -28.71 66.65 Favored 'General case' 0 N--CA 1.505 2.293 0 C-N-CA 124.152 0.981 . . . . 0.0 111.283 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.64 91.26 Favored 'General case' 0 N--CA 1.506 2.367 0 C-N-CA 125.45 1.5 . . . . 0.0 109.453 172.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.83 -37.48 73.19 Favored 'General case' 0 C--N 1.374 1.653 0 CA-C-O 117.497 -1.239 . . . . 0.0 111.037 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -59.48 -39.28 83.22 Favored 'General case' 0 N--CA 1.531 3.606 0 C-N-CA 126.313 1.845 . . . . 0.0 113.877 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.79 -14.11 56.82 Favored 'General case' 0 CA--C 1.56 1.354 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 176.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 mp -99.68 -25.84 14.26 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 124.236 1.014 . . . . 0.0 110.233 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.38 15.45 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 C-N-CA 127.405 2.282 . . . . 0.0 112.182 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.43 -67.82 1.68 Allowed Glycine 0 N--CA 1.489 2.223 0 CA-C-O 117.181 -1.9 . . . . 0.0 114.001 -175.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -71.7 -8.1 22.47 Favored 'Trans proline' 1 C--N 1.426 4.631 0 CA-C-N 122.042 2.921 . . . . 0.0 115.532 176.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mt -91.9 -6.49 51.36 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 125.759 1.624 . . . . 0.0 112.944 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.019 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 179.676 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 122.148 0.975 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -83.56 -4.54 58.64 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 113.399 -1.728 . . . . 0.0 114.01 -177.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -80.15 -26.96 39.11 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.003 0.921 . . . . 0.0 110.921 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 mt -100.4 -3.99 29.92 Favored 'General case' 0 C--N 1.385 2.123 0 C-N-CA 123.851 0.86 . . . . 0.0 111.921 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -120.87 155.88 33.17 Favored 'General case' 0 C--N 1.382 1.988 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.51 111.98 16.94 Favored 'General case' 0 C--N 1.378 1.812 0 CA-C-N 113.814 -1.539 . . . . 0.0 107.014 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.5 t -137.53 158.58 44.08 Favored 'General case' 0 N--CA 1.499 1.993 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.466 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -108.46 47.04 0.92 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -176.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.23 -69.59 0.49 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 118.869 2.307 . . . . 0.0 118.869 169.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -173.08 60.09 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 119.939 1.87 . . . . 0.0 110.571 -178.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -135.19 136.37 41.74 Favored 'General case' 0 CA--C 1.558 1.265 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -28.12 65.26 Favored 'General case' 0 N--CA 1.526 3.34 0 C-N-CA 123.884 0.873 . . . . 0.0 109.068 171.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.22 -36.39 92.34 Favored Glycine 0 C--N 1.382 3.1 0 O-C-N 125.062 1.476 . . . . 0.0 113.981 176.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -23.53 39.76 Favored 'General case' 0 C--N 1.395 2.575 0 CA-C-N 117.756 0.778 . . . . 0.0 112.138 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -81.28 -31.74 33.53 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.193 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mt -77.22 -34.33 56.06 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 125.021 1.328 . . . . 0.0 112.755 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.09 -31.06 68.45 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.309 1.444 . . . . 0.0 111.253 176.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -80.04 -31.45 39.5 Favored 'General case' 0 C--N 1.382 2.009 0 C-N-CA 123.404 0.681 . . . . 0.0 109.402 178.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.22 -40.4 67.83 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 125.195 1.559 . . . . 0.0 112.122 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -67.35 -37.74 83.72 Favored 'General case' 0 N--CA 1.503 2.222 0 C-N-CA 124.873 1.269 . . . . 0.0 110.858 174.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.63 -26.04 61.52 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 126.087 1.755 . . . . 0.0 112.977 177.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 m -78.31 -30.74 48.47 Favored 'General case' 0 C--N 1.386 2.184 0 C-N-CA 123.991 0.916 . . . . 0.0 110.275 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.19 -43.39 67.52 Favored 'General case' 0 C--N 1.383 2.037 0 C-N-CA 124.372 1.069 . . . . 0.0 110.684 176.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.1 p -70.72 -31.62 68.54 Favored 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 125.761 1.624 . . . . 0.0 114.197 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -77.51 -42.29 36.16 Favored 'General case' 0 N--CA 1.513 2.712 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.31 -32.28 72.29 Favored 'General case' 0 C--N 1.389 2.325 0 C-N-CA 124.246 1.018 . . . . 0.0 111.222 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 11.6 mt-10 -66.24 -32.61 74.13 Favored 'General case' 0 C--N 1.386 2.177 0 C-N-CA 126.063 1.745 . . . . 0.0 112.103 176.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.3 90.57 Favored 'General case' 0 C--N 1.391 2.406 0 C-N-CA 124.058 0.943 . . . . 0.0 112.325 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.29 67.93 Favored 'General case' 0 C--N 1.395 2.559 0 C-N-CA 123.763 0.825 . . . . 0.0 112.162 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 52.4 t -60.92 -38.83 80.19 Favored 'Isoleucine or valine' 0 C--N 1.383 2.058 0 C-N-CA 126.462 1.905 . . . . 0.0 110.365 175.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -53.33 -33.01 51.7 Favored 'General case' 0 C--N 1.392 2.444 0 O-C-N 124.902 1.376 . . . . 0.0 112.682 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -70.27 -37.42 74.86 Favored 'General case' 0 C--N 1.402 2.858 0 C-N-CA 125.336 1.454 . . . . 0.0 112.69 176.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.13 35.65 1.77 Allowed Glycine 0 C--N 1.375 2.708 0 N-CA-C 116.443 1.337 . . . . 0.0 116.443 175.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.25 110.26 21.79 Favored 'General case' 0 C--N 1.38 1.911 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.17 -25.02 62.36 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 113.594 -1.639 . . . . 0.0 113.536 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.9 m -71.67 -37.69 70.73 Favored 'General case' 0 CA--C 1.572 1.825 0 C-N-CA 124.954 1.302 . . . . 0.0 111.047 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -75.74 -22.61 56.37 Favored 'General case' 0 C--N 1.39 2.364 0 C-N-CA 124.105 0.962 . . . . 0.0 112.018 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.9 t -76.68 -48.47 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 C-N-CA 126.387 1.875 . . . . 0.0 109.699 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.33 84.39 Favored 'General case' 0 C--N 1.386 2.153 0 C-N-CA 127.184 2.194 . . . . 0.0 112.494 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -41.7 98.12 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 125.771 1.628 . . . . 0.0 109.643 172.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.4 tt -71.47 -37.56 71.32 Favored 'General case' 0 CA--C 1.572 1.792 0 C-N-CA 124.586 1.154 . . . . 0.0 109.81 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.81 -40.67 97.17 Favored 'General case' 0 N--CA 1.512 2.644 0 C-N-CA 124.787 1.235 . . . . 0.0 112.269 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -70.91 -37.91 72.96 Favored 'General case' 0 N--CA 1.517 2.886 0 C-N-CA 126.36 1.864 . . . . 0.0 110.92 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -70.24 -33.91 72.2 Favored 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 125.509 1.523 . . . . 0.0 110.377 173.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -45.4 70.53 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 124.46 1.104 . . . . 0.0 112.338 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -67.96 -41.38 82.53 Favored 'General case' 0 C--N 1.388 2.258 0 C-N-CA 125.083 1.353 . . . . 0.0 112.96 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.17 83.91 Favored 'General case' 0 C--N 1.389 2.315 0 C-N-CA 126.079 1.751 . . . . 0.0 112.124 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -73.11 -28.04 62.04 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 123.511 0.724 . . . . 0.0 112.876 176.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.544 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 27.7 mt -63.14 -46.65 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.362 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.72 -47.32 72.71 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 124.628 1.171 . . . . 0.0 112.539 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.2 -44.47 62.92 Favored 'General case' 0 C--N 1.377 1.803 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.2 mt -86.45 -46.62 10.04 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -175.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 19.4 mt-30 -65.24 -36.0 82.78 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 124.068 0.855 . . . . 0.0 112.737 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -74.91 -41.02 60.52 Favored 'General case' 0 CA--C 1.585 2.321 0 C-N-CA 124.752 1.221 . . . . 0.0 113.346 177.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -75.52 -26.65 58.24 Favored 'General case' 0 C--N 1.392 2.436 0 CA-C-N 119.753 1.161 . . . . 0.0 110.132 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.35 -24.0 50.79 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 126.017 1.727 . . . . 0.0 110.331 174.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.6 91.21 Favored 'General case' 0 C--N 1.409 3.179 0 C-N-CA 123.741 0.816 . . . . 0.0 113.202 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 p -76.03 -29.15 57.99 Favored 'General case' 0 C--N 1.389 2.317 0 C-N-CA 124.766 1.226 . . . . 0.0 111.191 175.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.94 -34.92 70.41 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 125.171 1.388 . . . . 0.0 113.727 174.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.3 p -73.83 -8.35 55.71 Favored 'General case' 0 N--CA 1.523 3.214 0 C-N-CA 125.1 1.36 . . . . 0.0 114.048 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.502 2.164 0 C-N-CA 126.199 1.8 . . . . 0.0 112.696 172.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 . . . . . 0 N--CA 1.511 2.61 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.457 ' H ' ' HG ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -76.3 -29.28 57.28 Favored 'General case' 0 N--CA 1.506 2.355 0 C-N-CA 124.543 1.137 . . . . 0.0 112.59 176.354 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -70.49 -35.03 73.01 Favored 'General case' 0 C--N 1.382 1.984 0 C-N-CA 125.045 1.338 . . . . 0.0 110.738 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -65.47 -34.91 79.39 Favored 'General case' 0 C--N 1.396 2.595 0 C-N-CA 126.248 1.819 . . . . 0.0 111.0 173.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.605 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -71.91 -45.72 60.2 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 123.481 0.713 . . . . 0.0 110.401 174.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -62.49 1.76 Allowed 'General case' 0 CA--C 1.599 2.859 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.76 -42.06 18.44 Favored 'General case' 0 C--N 1.383 2.027 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -175.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 31.2 mt-10 -75.04 -28.16 60.32 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.605 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 4.0 m-85 -69.9 -40.34 75.67 Favored 'General case' 0 C--N 1.392 2.431 0 CA-C-N 118.581 0.628 . . . . 0.0 112.138 176.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -70.12 -35.45 74.12 Favored 'General case' 0 C--N 1.386 2.175 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.77 -40.74 79.57 Favored 'General case' 0 N--CA 1.517 2.898 0 C-N-CA 124.494 1.118 . . . . 0.0 113.723 178.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -70.41 -35.66 73.56 Favored 'General case' 0 N--CA 1.507 2.387 0 C-N-CA 124.504 1.122 . . . . 0.0 112.372 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -71.11 -27.96 63.96 Favored 'General case' 0 C--N 1.383 2.038 0 C-N-CA 124.974 1.309 . . . . 0.0 111.978 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -66.36 -47.41 73.49 Favored 'General case' 0 C--N 1.387 2.21 0 C-N-CA 125.985 1.714 . . . . 0.0 113.447 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -72.23 -39.39 68.52 Favored 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.6 mt -59.46 -34.32 72.38 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 123.582 0.551 . . . . 0.0 110.442 173.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.16 -31.59 67.88 Favored 'General case' 0 C--N 1.379 1.87 0 C-N-CA 124.567 1.147 . . . . 0.0 113.143 176.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.21 92.46 Favored 'General case' 0 C--N 1.404 2.959 0 C-N-CA 125.202 1.401 . . . . 0.0 112.405 -177.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.2 mtt -64.37 -39.81 94.6 Favored 'General case' 0 C--N 1.396 2.619 0 O-C-N 125.111 1.507 . . . . 0.0 110.719 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -66.12 -40.76 90.95 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 124.545 1.138 . . . . 0.0 110.668 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -64.13 -40.66 96.66 Favored 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 -175.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.01 -40.53 78.61 Favored 'General case' 0 N--CA 1.51 2.569 0 C-N-CA 123.897 0.879 . . . . 0.0 111.976 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.68 -32.36 69.59 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 124.522 1.129 . . . . 0.0 112.462 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -65.89 -42.82 89.8 Favored 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 125.712 1.605 . . . . 0.0 113.682 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -73.14 -42.93 62.32 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.04 -40.25 68.51 Favored 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -173.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -88.94 -13.61 38.61 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.56 90.02 Favored 'General case' 0 N--CA 1.515 2.786 0 C-N-CA 125.42 1.488 . . . . 0.0 113.359 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -84.62 -17.11 39.71 Favored 'General case' 0 N--CA 1.508 2.427 0 C-N-CA 125.94 1.696 . . . . 0.0 114.026 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -93.34 -19.97 20.82 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 126.141 1.776 . . . . 0.0 109.584 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.14 88.16 0.09 Allowed 'General case' 0 C--N 1.389 2.307 0 C-N-CA 126.47 1.908 . . . . 0.0 108.257 -176.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.98 128.43 21.48 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-N 112.155 -2.293 . . . . 0.0 115.973 -175.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -68.97 -8.35 23.32 Favored 'Trans proline' 1 C--N 1.428 4.756 0 C-N-CA 122.814 2.343 . . . . 0.0 111.568 170.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -64.1 -27.87 69.39 Favored 'General case' 0 C--N 1.391 2.397 0 C-N-CA 123.888 0.875 . . . . 0.0 111.427 176.496 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.32 -40.99 83.55 Favored 'General case' 0 N--CA 1.521 3.093 0 C-N-CA 126.01 1.724 . . . . 0.0 112.004 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.37 70.66 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-N 113.251 -1.795 . . . . 0.0 110.751 -175.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -72.16 -38.93 69.05 Favored 'General case' 0 CA--C 1.58 2.117 0 O-C-N 123.918 0.761 . . . . 0.0 112.358 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 29.9 mt-10 -78.07 -50.04 12.81 Favored 'General case' 0 N--CA 1.511 2.591 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -177.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.464 ' O ' ' HB2' ' A' ' 149' ' ' ASP . 5.7 mt -69.35 -39.79 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.66 0 C-N-CA 124.182 0.993 . . . . 0.0 110.445 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 92.4 m -63.41 -40.93 98.53 Favored 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 123.73 0.812 . . . . 0.0 110.974 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.32 93.72 Favored 'General case' 0 N--CA 1.511 2.599 0 C-N-CA 124.248 1.019 . . . . 0.0 112.865 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.37 -27.63 59.21 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 124.659 1.184 . . . . 0.0 111.599 177.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 0.4 OUTLIER -69.52 -31.74 70.16 Favored 'General case' 0 C--N 1.394 2.51 0 C-N-CA 125.972 1.709 . . . . 0.0 110.988 177.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -74.06 -36.17 64.33 Favored 'General case' 0 C--N 1.389 2.292 0 C-N-CA 126.142 1.777 . . . . 0.0 109.36 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -72.03 -32.86 67.55 Favored 'General case' 0 C--N 1.386 2.162 0 C-N-CA 125.534 1.534 . . . . 0.0 112.352 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.56 -39.69 91.97 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 124.57 1.148 . . . . 0.0 108.893 174.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 17.6 p -76.65 -35.16 58.15 Favored 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 123.596 0.758 . . . . 0.0 112.144 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -70.38 -31.48 68.74 Favored 'General case' 0 N--CA 1.509 2.488 0 C-N-CA 124.766 1.227 . . . . 0.0 112.05 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 66.8 m -70.58 -37.73 73.98 Favored 'General case' 0 C--N 1.383 2.057 0 C-N-CA 123.83 0.852 . . . . 0.0 110.158 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -37.13 74.03 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 124.451 1.101 . . . . 0.0 113.636 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -42.33 68.45 Favored 'General case' 0 CA--C 1.573 1.845 0 C-N-CA 124.023 0.929 . . . . 0.0 111.449 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.8 75.1 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.237 1.415 . . . . 0.0 112.844 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 46.4 mt -70.2 -43.93 78.34 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.742 0 C-N-CA 125.744 1.618 . . . . 0.0 109.861 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.83 94.59 Favored 'General case' 0 N--CA 1.511 2.623 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -65.34 -39.47 92.42 Favored 'General case' 0 N--CA 1.516 2.848 0 C-N-CA 124.785 1.234 . . . . 0.0 113.598 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 17.7 p -70.6 -33.12 70.69 Favored 'General case' 0 N--CA 1.511 2.618 0 C-N-CA 124.045 0.938 . . . . 0.0 112.246 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.13 -36.36 74.72 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 125.043 1.337 . . . . 0.0 112.127 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.5 -37.38 86.61 Favored 'General case' 0 N--CA 1.516 2.842 0 C-N-CA 125.189 1.395 . . . . 0.0 112.619 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.0 -33.35 73.52 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.725 1.21 . . . . 0.0 110.899 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -28.67 54.1 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 125.663 1.585 . . . . 0.0 112.046 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -68.68 -34.89 76.45 Favored 'General case' 0 N--CA 1.506 2.363 0 C-N-CA 125.935 1.694 . . . . 0.0 112.13 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.385 2.125 0 C-N-CA 125.37 1.468 . . . . 0.0 114.503 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo . . . . . 0 N--CA 1.527 3.443 0 N-CA-C 117.838 2.207 . . . . 0.0 117.838 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mt -84.39 -36.04 22.73 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 119.045 0.839 . . . . 0.0 111.805 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.11 -36.37 48.04 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 125.049 1.34 . . . . 0.0 112.448 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -31.93 70.48 Favored 'General case' 0 C--N 1.385 2.114 0 C-N-CA 123.939 0.896 . . . . 0.0 109.535 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.41 -37.42 85.18 Favored 'General case' 0 C--N 1.372 1.561 0 O-C-N 124.675 1.235 . . . . 0.0 110.531 177.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -70.03 -40.95 74.87 Favored 'General case' 0 C--N 1.385 2.15 0 C-N-CA 124.171 0.988 . . . . 0.0 110.833 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.58 -43.94 89.62 Favored 'General case' 0 C--N 1.39 2.336 0 O-C-N 124.399 1.062 . . . . 0.0 112.093 173.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -64.76 -40.65 95.63 Favored 'General case' 0 C--N 1.401 2.835 0 C-N-CA 125.393 1.477 . . . . 0.0 114.734 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -69.68 -36.36 75.92 Favored 'General case' 0 C--N 1.378 1.829 0 CA-C-O 117.858 -1.067 . . . . 0.0 110.588 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.74 -30.99 71.85 Favored 'General case' 0 N--CA 1.504 2.253 0 C-N-CA 123.991 0.916 . . . . 0.0 111.498 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.4 t -75.87 -47.94 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.475 0 C-N-CA 125.711 1.604 . . . . 0.0 111.32 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.49 -29.42 67.06 Favored 'General case' 0 N--CA 1.505 2.311 0 CA-C-N 118.807 0.731 . . . . 0.0 111.342 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.95 93.58 Favored 'General case' 0 N--CA 1.511 2.588 0 C-N-CA 125.054 1.342 . . . . 0.0 110.331 171.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -34.91 68.55 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 125.296 1.438 . . . . 0.0 111.568 177.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -60.68 -39.94 90.31 Favored 'General case' 0 N--CA 1.508 2.436 0 C-N-CA 127.385 2.274 . . . . 0.0 111.785 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -29.4 64.48 Favored 'General case' 0 N--CA 1.505 2.28 0 C-N-CA 124.197 0.999 . . . . 0.0 111.942 175.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.38 -21.34 45.86 Favored 'General case' 0 CA--C 1.589 2.448 0 C-N-CA 123.683 0.793 . . . . 0.0 112.075 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.411 ' O ' HG22 ' A' ' 21' ' ' ILE . 63.3 mt -110.45 18.48 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.551 0 C-N-CA 128.275 2.63 . . . . 0.0 109.14 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.01 -84.56 0.16 Allowed Glycine 0 C--N 1.369 2.4 0 CA-C-O 116.713 -2.159 . . . . 0.0 112.383 -176.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -66.75 -2.42 7.58 Favored 'Trans proline' 1 C--N 1.421 4.378 0 CA-C-N 122.183 2.991 . . . . 0.0 115.125 175.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.62 -8.69 54.24 Favored 'General case' 0 CA--C 1.58 2.122 0 C-N-CA 126.407 1.883 . . . . 0.0 113.134 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.431 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.499 1.989 0 C-N-CA 126.672 1.989 . . . . 0.0 115.846 178.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 121.708 0.765 . . . . 0.0 109.853 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -82.5 -3.37 55.75 Favored 'General case' 0 N--CA 1.51 2.564 0 C-N-CA 125.308 1.443 . . . . 0.0 114.085 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -79.17 -16.71 56.2 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 123.712 0.805 . . . . 0.0 112.487 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.37 -4.53 59.19 Favored 'General case' 0 C--N 1.387 2.205 0 C-N-CA 123.753 0.821 . . . . 0.0 113.089 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.97 156.32 29.79 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 123.823 0.849 . . . . 0.0 112.573 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.54 112.3 18.32 Favored 'General case' 0 C--N 1.382 1.999 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.8 m 68.01 113.44 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.42 0 C-N-CA 127.87 2.468 . . . . 0.0 113.898 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -91.42 -45.64 8.44 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 112.251 -2.249 . . . . 0.0 110.969 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.06 8.12 41.03 Favored Glycine 1 N--CA 1.519 4.188 0 CA-C-O 115.823 -2.654 . . . . 0.0 118.241 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 60.51 29.06 18.72 Favored 'General case' 0 C--N 1.407 3.106 0 CA-C-N 121.844 2.822 . . . . 0.0 112.241 -175.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -156.4 151.17 25.95 Favored 'General case' 0 C--N 1.376 1.729 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -175.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.431 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 5.8 mp -70.61 -22.68 62.51 Favored 'General case' 0 N--CA 1.522 3.174 0 C-N-CA 124.996 1.318 . . . . 0.0 108.69 169.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.75 -35.69 87.21 Favored Glycine 0 C--N 1.382 3.134 0 C-N-CA 124.965 1.269 . . . . 0.0 114.377 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.88 -23.46 39.0 Favored 'General case' 0 C--N 1.395 2.585 0 CA-C-N 117.879 0.84 . . . . 0.0 111.206 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -81.08 -31.61 34.32 Favored 'General case' 0 C--N 1.388 2.265 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.861 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -77.6 -33.08 53.93 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 125.136 1.375 . . . . 0.0 112.301 176.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -39.16 73.6 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.154 1.382 . . . . 0.0 111.863 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.07 -32.19 61.44 Favored 'General case' 0 C--N 1.384 2.083 0 C-N-CA 123.687 0.795 . . . . 0.0 111.378 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.12 -39.28 68.97 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 125.117 1.511 . . . . 0.0 112.261 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.12 -40.21 86.78 Favored 'General case' 0 CA--C 1.576 1.967 0 C-N-CA 124.166 0.986 . . . . 0.0 110.346 175.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -72.92 -25.73 61.16 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 126.503 1.921 . . . . 0.0 113.779 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 t -79.15 -34.06 43.59 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 123.939 0.896 . . . . 0.0 110.035 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.2 tp -72.13 -39.81 68.56 Favored 'General case' 0 C--N 1.381 1.957 0 C-N-CA 125.081 1.352 . . . . 0.0 110.617 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.1 p -71.17 -30.41 66.39 Favored 'General case' 0 N--CA 1.508 2.453 0 C-N-CA 125.204 1.402 . . . . 0.0 112.788 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -77.47 -35.46 53.75 Favored 'General case' 0 N--CA 1.51 2.532 0 C-N-CA 123.881 0.872 . . . . 0.0 112.611 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.28 -33.08 73.7 Favored 'General case' 0 C--N 1.392 2.417 0 C-N-CA 125.052 1.341 . . . . 0.0 110.791 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.0 -36.77 82.51 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 126.788 2.035 . . . . 0.0 111.557 175.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.88 94.17 Favored 'General case' 0 C--N 1.394 2.512 0 O-C-N 124.457 1.098 . . . . 0.0 112.014 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.12 -29.19 70.34 Favored 'General case' 0 C--N 1.394 2.53 0 C-N-CA 124.942 1.297 . . . . 0.0 113.486 173.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.9 t -66.69 -37.5 79.64 Favored 'Isoleucine or valine' 0 C--N 1.384 2.096 0 C-N-CA 124.956 1.302 . . . . 0.0 108.245 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -65.59 -19.6 65.98 Favored 'General case' 0 N--CA 1.51 2.543 0 C-N-CA 125.891 1.676 . . . . 0.0 111.929 174.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -77.24 -39.75 47.33 Favored 'General case' 0 C--N 1.383 2.026 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 172.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.43 30.96 2.71 Favored Glycine 0 C--N 1.383 3.177 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 171.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.91 114.83 27.13 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-O 121.923 0.868 . . . . 0.0 110.866 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.07 -25.57 61.83 Favored 'General case' 0 N--CA 1.502 2.131 0 CA-C-N 113.233 -1.803 . . . . 0.0 112.51 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.9 m -71.16 -37.85 72.21 Favored 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 125.307 1.443 . . . . 0.0 110.787 176.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -74.49 -23.0 58.79 Favored 'General case' 0 C--N 1.39 2.367 0 C-N-CA 124.275 1.03 . . . . 0.0 112.263 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.25 -46.88 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 126.39 1.876 . . . . 0.0 109.659 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.16 85.78 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 127.329 2.252 . . . . 0.0 112.486 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -46.13 86.71 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 126.132 1.773 . . . . 0.0 109.011 172.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.62 -41.98 98.23 Favored 'General case' 0 N--CA 1.511 2.585 0 O-C-N 124.711 1.257 . . . . 0.0 111.145 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.56 94.74 Favored 'General case' 0 N--CA 1.512 2.639 0 C-N-CA 125.183 1.393 . . . . 0.0 112.952 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.44 -38.08 77.66 Favored 'General case' 0 N--CA 1.52 3.049 0 C-N-CA 125.722 1.609 . . . . 0.0 111.31 176.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -69.92 -32.37 70.63 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 125.284 1.434 . . . . 0.0 110.244 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.96 -45.95 76.16 Favored 'General case' 0 CA--C 1.577 2.012 0 C-N-CA 124.87 1.268 . . . . 0.0 112.036 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.27 -39.79 82.06 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 125.09 1.356 . . . . 0.0 112.896 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.79 -36.37 80.34 Favored 'General case' 0 C--N 1.384 2.071 0 C-N-CA 125.984 1.713 . . . . 0.0 112.17 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -73.54 -28.03 61.66 Favored 'General case' 0 C--N 1.375 1.707 0 C-N-CA 123.553 0.741 . . . . 0.0 112.751 177.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 80' ' ' ALA . 15.3 mt -63.38 -45.88 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.411 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 175.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.6 -46.17 76.79 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 124.181 0.992 . . . . 0.0 112.672 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.28 -44.55 59.01 Favored 'General case' 0 C--N 1.381 1.961 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -176.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.0 mt -85.64 -45.71 11.45 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -175.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -64.99 -37.12 86.62 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 123.696 0.622 . . . . 0.0 112.491 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -76.94 -42.33 39.7 Favored 'General case' 0 CA--C 1.597 2.773 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -73.92 -31.58 63.14 Favored 'General case' 0 C--N 1.403 2.9 0 CA-C-N 118.411 0.551 . . . . 0.0 109.981 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.68 -23.48 53.19 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 125.417 1.487 . . . . 0.0 110.921 175.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.33 80.04 Favored 'General case' 0 C--N 1.416 3.499 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -176.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -80.38 -26.76 38.4 Favored 'General case' 0 N--CA 1.508 2.468 0 C-N-CA 124.376 1.07 . . . . 0.0 111.622 175.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.49 65.19 Favored 'General case' 0 CA--C 1.57 1.738 0 C-N-CA 124.599 1.16 . . . . 0.0 112.884 173.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.6 p -59.31 -11.61 4.41 Favored 'General case' 2 C--N 1.431 4.139 0 C-N-CA 125.613 1.565 . . . . 0.0 114.907 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.793 0 C-N-CA 127.233 2.213 . . . . 0.0 115.751 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 . . . . . 0 CA--C 1.573 1.83 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.58 -39.97 94.69 Favored 'General case' 0 N--CA 1.526 3.347 0 C-N-CA 124.694 1.197 . . . . 0.0 112.558 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -68.76 -33.87 74.62 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.405 1.882 . . . . 0.0 111.316 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.77 78.84 Favored 'General case' 0 C--N 1.383 2.038 0 C-N-CA 125.006 1.322 . . . . 0.0 110.909 173.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.702 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 5.1 mpt_? -72.49 -45.28 60.18 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 123.549 0.74 . . . . 0.0 110.54 175.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mp -60.42 -62.68 1.69 Allowed 'General case' 0 CA--C 1.592 2.585 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.79 -47.55 9.61 Favored 'General case' 0 C--N 1.383 2.037 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -175.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -71.95 -34.45 69.01 Favored 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.702 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 3.7 m-85 -69.83 -41.05 75.46 Favored 'General case' 0 C--N 1.395 2.552 0 CA-C-N 118.832 0.742 . . . . 0.0 111.847 178.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -68.55 -38.19 80.59 Favored 'General case' 0 C--N 1.394 2.507 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -64.15 -42.91 96.6 Favored 'General case' 0 N--CA 1.521 3.093 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -69.65 -37.39 76.72 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 124.419 1.088 . . . . 0.0 112.678 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -70.23 -34.38 72.8 Favored 'General case' 0 C--N 1.378 1.831 0 C-N-CA 124.891 1.277 . . . . 0.0 112.456 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -63.72 -41.75 98.02 Favored 'General case' 0 N--CA 1.51 2.532 0 C-N-CA 125.567 1.547 . . . . 0.0 114.376 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -72.93 -39.63 66.09 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.08 -32.66 72.32 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 123.588 0.555 . . . . 0.0 110.158 174.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -34.3 74.01 Favored 'General case' 0 C--N 1.382 1.994 0 C-N-CA 125.344 1.458 . . . . 0.0 112.316 175.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.35 85.35 Favored 'General case' 0 C--N 1.401 2.811 0 C-N-CA 124.948 1.299 . . . . 0.0 112.597 -178.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.5 mtt -65.87 -38.14 88.03 Favored 'General case' 0 C--N 1.391 2.382 0 O-C-N 124.892 1.37 . . . . 0.0 111.241 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -68.64 -38.29 80.37 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 125.378 1.471 . . . . 0.0 111.157 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -72.1 -42.33 66.26 Favored 'General case' 0 C--N 1.392 2.443 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.9 -41.96 70.57 Favored 'General case' 0 N--CA 1.512 2.642 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.9 -38.06 82.51 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 124.743 1.217 . . . . 0.0 113.058 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.527 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 2.1 tt0 -75.77 -26.21 57.16 Favored 'General case' 0 C--N 1.383 2.063 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -72.07 -52.75 15.37 Favored 'General case' 0 C--O 1.275 2.399 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -178.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.09 -39.34 75.62 Favored 'General case' 0 C--N 1.391 2.38 0 CA-C-N 113.769 -1.559 . . . . 0.0 113.98 -175.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -88.78 -11.49 44.76 Favored 'General case' 0 CA--C 1.583 2.222 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -65.65 -37.16 85.74 Favored 'General case' 0 N--CA 1.525 3.308 0 C-N-CA 124.427 1.091 . . . . 0.0 112.185 177.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -73.36 -11.4 60.47 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 125.59 1.556 . . . . 0.0 111.855 177.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -97.61 -21.49 17.02 Favored 'General case' 0 CA--C 1.584 2.287 0 C-N-CA 126.204 1.802 . . . . 0.0 108.878 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 65.29 38.72 5.71 Favored 'General case' 0 N--CA 1.534 3.732 0 C-N-CA 127.994 2.518 . . . . 0.0 111.857 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.559 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -83.54 129.19 60.98 Favored Pre-proline 0 CA--C 1.57 1.713 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.026 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.54 -8.45 8.99 Favored 'Trans proline' 1 C--N 1.426 4.64 0 C-N-CA 124.238 3.292 . . . . 0.0 112.873 171.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.4 OUTLIER -68.26 -15.21 63.48 Favored 'General case' 0 CA--C 1.576 1.96 0 C-N-CA 124.437 1.095 . . . . 0.0 113.069 178.414 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 138' ' ' ASP . 0.1 OUTLIER -75.05 -36.99 61.81 Favored 'General case' 0 N--CA 1.514 2.747 0 C-N-CA 123.932 0.893 . . . . 0.0 109.293 177.69 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.2 -37.13 69.32 Favored 'General case' 0 C--N 1.37 1.46 0 CA-C-N 114.268 -1.333 . . . . 0.0 111.62 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -71.56 -38.64 70.96 Favored 'General case' 0 CA--C 1.58 2.122 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 17.3 mt-10 -79.47 -45.97 18.37 Favored 'General case' 0 N--CA 1.509 2.482 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -176.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.429 ' O ' ' HB2' ' A' ' 149' ' ' ASP . 1.7 mp -67.83 -45.89 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 C-N-CA 126.504 1.921 . . . . 0.0 112.358 -178.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 93.5 m -61.75 -38.99 90.02 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 125.101 1.501 . . . . 0.0 110.723 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.94 97.04 Favored 'General case' 0 C--N 1.391 2.412 0 C-N-CA 123.868 0.867 . . . . 0.0 112.239 176.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.35 -29.65 59.98 Favored 'General case' 0 C--N 1.382 1.987 0 C-N-CA 124.987 1.315 . . . . 0.0 111.931 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 0.3 OUTLIER -70.89 -33.29 70.44 Favored 'General case' 0 C--N 1.389 2.323 0 C-N-CA 126.234 1.814 . . . . 0.0 112.314 179.517 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -76.13 -33.94 59.44 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 124.166 0.986 . . . . 0.0 108.945 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -71.56 -35.14 70.51 Favored 'General case' 0 C--N 1.389 2.307 0 C-N-CA 125.609 1.563 . . . . 0.0 112.48 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.75 -41.65 99.3 Favored 'General case' 0 C--N 1.38 1.904 0 C-N-CA 124.553 1.141 . . . . 0.0 109.95 174.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.5 p -77.15 -39.34 49.47 Favored 'General case' 0 CA--C 1.571 1.786 0 C-N-CA 123.951 0.9 . . . . 0.0 113.288 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -72.29 -33.68 67.61 Favored 'General case' 0 N--CA 1.516 2.837 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 89.2 m -72.4 -39.72 67.74 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 123.162 0.585 . . . . 0.0 110.537 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -60.88 -37.86 83.63 Favored 'General case' 0 C--N 1.394 2.502 0 C-N-CA 125.07 1.348 . . . . 0.0 112.757 177.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.1 m -71.88 -41.98 67.38 Favored 'General case' 0 CA--C 1.58 2.097 0 C-N-CA 125.061 1.345 . . . . 0.0 111.479 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.7 -39.22 84.4 Favored 'General case' 0 C--N 1.382 1.978 0 C-N-CA 125.898 1.679 . . . . 0.0 113.323 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 36.9 mt -68.32 -39.4 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.105 0 C-N-CA 126.033 1.733 . . . . 0.0 109.98 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.45 93.42 Favored 'General case' 0 C--N 1.39 2.365 0 C-N-CA 124.838 1.255 . . . . 0.0 113.479 176.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.79 -39.34 87.76 Favored 'General case' 0 N--CA 1.511 2.61 0 C-N-CA 125.299 1.44 . . . . 0.0 113.224 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 20.6 p -70.73 -31.63 68.54 Favored 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 124.248 1.019 . . . . 0.0 112.516 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.48 -34.3 72.22 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 125.33 1.452 . . . . 0.0 111.97 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.18 -36.04 80.93 Favored 'General case' 0 N--CA 1.51 2.567 0 C-N-CA 125.395 1.478 . . . . 0.0 112.247 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -68.91 -34.15 74.92 Favored 'General case' 0 C--N 1.376 1.734 0 C-N-CA 124.708 1.203 . . . . 0.0 110.726 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.1 mt -72.25 -31.44 65.81 Favored 'General case' 0 N--CA 1.507 2.419 0 C-N-CA 125.548 1.539 . . . . 0.0 112.08 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.74 -34.46 76.87 Favored 'General case' 0 N--CA 1.508 2.461 0 C-N-CA 126.354 1.861 . . . . 0.0 112.594 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? . . . . . 0 C--N 1.381 1.962 0 C-N-CA 127.654 2.382 . . . . 0.0 114.058 -179.83 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo . . . . . 0 CA--C 1.591 3.33 0 N-CA-C 117.726 2.164 . . . . 0.0 117.726 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -82.82 -33.62 27.15 Favored 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 123.822 0.849 . . . . 0.0 112.242 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.67 -35.8 52.0 Favored 'General case' 0 C--N 1.373 1.629 0 C-N-CA 125.138 1.375 . . . . 0.0 112.455 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -30.76 65.73 Favored 'General case' 0 C--N 1.381 1.966 0 C-N-CA 124.278 1.031 . . . . 0.0 110.447 178.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -67.63 -39.53 84.65 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 124.802 1.313 . . . . 0.0 111.766 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.0 m -71.39 -41.61 69.42 Favored 'General case' 0 C--N 1.386 2.153 0 C-N-CA 124.252 1.021 . . . . 0.0 110.757 176.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -44.58 83.54 Favored 'General case' 0 C--N 1.389 2.286 0 O-C-N 124.359 1.037 . . . . 0.0 112.29 173.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -65.91 -39.21 90.36 Favored 'General case' 0 C--N 1.399 2.727 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -69.48 -38.35 77.65 Favored 'General case' 0 C--N 1.376 1.742 0 CA-C-O 117.617 -1.182 . . . . 0.0 110.424 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -63.04 -29.16 70.61 Favored 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 124.039 0.936 . . . . 0.0 111.916 175.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.75 -46.05 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 C-N-CA 125.553 1.541 . . . . 0.0 111.207 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.457 ' HB1' HD21 ' A' ' 86' ' ' LEU . . . -69.46 -30.28 68.15 Favored 'General case' 0 N--CA 1.506 2.365 0 C-N-CA 123.379 0.672 . . . . 0.0 111.53 176.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.32 -39.76 89.49 Favored 'General case' 0 N--CA 1.51 2.548 0 C-N-CA 126.187 1.795 . . . . 0.0 110.574 171.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -34.46 68.11 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 124.522 1.129 . . . . 0.0 110.773 177.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -60.51 -43.55 96.95 Favored 'General case' 0 N--CA 1.503 2.191 0 C-N-CA 127.125 2.17 . . . . 0.0 111.856 178.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -78.14 -15.22 59.05 Favored 'General case' 0 N--CA 1.503 2.183 0 C-N-CA 125.124 1.37 . . . . 0.0 114.098 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -97.76 -16.42 19.88 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 125.433 1.493 . . . . 0.0 108.961 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.0 16.89 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.784 0 C-N-CA 125.977 1.711 . . . . 0.0 111.592 176.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.73 -76.58 0.29 Allowed Glycine 0 N--CA 1.497 2.719 0 CA-C-O 117.201 -1.888 . . . . 0.0 114.042 -173.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.03 -4.22 13.77 Favored 'Trans proline' 1 C--N 1.42 4.317 0 CA-C-N 121.481 2.64 . . . . 0.0 115.263 175.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mp -87.81 -6.39 58.16 Favored 'General case' 0 CA--C 1.577 1.992 0 C-N-CA 126.711 2.005 . . . . 0.0 112.605 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . . . . . . 0 N--CA 1.495 1.79 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 178.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.948 0 CA-C-O 121.97 0.891 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -86.02 1.76 49.01 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-N 113.611 -1.631 . . . . 0.0 113.391 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -80.3 -24.59 39.88 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.594 1.158 . . . . 0.0 111.69 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -90.86 -4.19 56.77 Favored 'General case' 0 C--N 1.384 2.092 0 C-N-CA 124.858 1.263 . . . . 0.0 112.172 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -121.88 156.08 34.06 Favored 'General case' 0 C--N 1.377 1.765 0 C-N-CA 124.296 1.038 . . . . 0.0 113.268 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.4 113.59 19.01 Favored 'General case' 0 C--N 1.373 1.62 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.1 p -137.97 144.17 41.04 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.604 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -87.94 49.75 1.86 Allowed 'General case' 0 N--CA 1.508 2.46 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.75 -69.11 0.49 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 118.814 2.285 . . . . 0.0 118.814 169.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -176.08 60.5 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 119.25 1.525 . . . . 0.0 109.739 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -138.76 138.04 37.26 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.43 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 3.4 mp -68.32 -31.1 70.28 Favored 'General case' 0 N--CA 1.527 3.419 0 C-N-CA 124.257 1.023 . . . . 0.0 108.347 171.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.34 -35.02 87.36 Favored Glycine 0 C--N 1.383 3.168 0 C-N-CA 125.409 1.481 . . . . 0.0 113.866 176.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.29 -23.11 43.78 Favored 'General case' 0 C--N 1.392 2.438 0 C-N-CA 122.941 0.497 . . . . 0.0 112.243 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -81.52 -30.51 33.17 Favored 'General case' 0 C--N 1.384 2.091 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -75.66 -40.72 55.6 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 124.706 1.202 . . . . 0.0 112.463 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.79 -31.86 68.77 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 125.824 1.65 . . . . 0.0 112.87 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -80.5 -27.92 37.62 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 123.342 0.657 . . . . 0.0 109.833 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.11 -39.02 66.12 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 113.777 -1.556 . . . . 0.0 111.56 176.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -65.97 -40.3 91.13 Favored 'General case' 0 N--CA 1.509 2.477 0 C-N-CA 124.914 1.286 . . . . 0.0 111.372 175.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.12 -27.23 60.77 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 126.929 2.092 . . . . 0.0 113.668 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -30.16 41.7 Favored 'General case' 0 C--N 1.381 1.975 0 C-N-CA 123.365 0.666 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tp -71.23 -40.02 71.33 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 124.804 1.242 . . . . 0.0 110.49 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.5 p -70.96 -32.84 69.82 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 125.581 1.552 . . . . 0.0 113.992 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -75.91 -35.0 59.94 Favored 'General case' 0 N--CA 1.514 2.772 0 CA-C-N 119.306 0.957 . . . . 0.0 113.049 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.442 HD13 HD21 ' A' ' 75' ' ' LEU . 31.7 mt -67.31 -34.58 77.66 Favored 'General case' 0 N--CA 1.511 2.624 0 C-N-CA 125.108 1.363 . . . . 0.0 111.048 176.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -62.56 -34.75 77.57 Favored 'General case' 0 C--N 1.383 2.041 0 C-N-CA 126.893 2.077 . . . . 0.0 112.074 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.09 -40.02 90.45 Favored 'General case' 0 C--N 1.393 2.478 0 C-N-CA 123.954 0.901 . . . . 0.0 112.135 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.85 -27.87 69.46 Favored 'General case' 0 C--N 1.395 2.556 0 C-N-CA 124.731 1.213 . . . . 0.0 113.249 173.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -65.79 -39.14 83.94 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.953 0 C-N-CA 125.598 1.559 . . . . 0.0 108.954 175.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -68.03 -16.52 64.07 Favored 'General case' 0 N--CA 1.506 2.365 0 C-N-CA 126.111 1.764 . . . . 0.0 111.731 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -78.28 -39.96 38.43 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 171.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.17 27.36 4.54 Favored Glycine 0 C--N 1.38 3.017 0 N-CA-C 116.09 1.196 . . . . 0.0 116.09 170.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.74 113.9 23.85 Favored 'General case' 0 C--N 1.377 1.78 0 CA-C-N 118.22 1.01 . . . . 0.0 110.259 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.51 -29.36 65.84 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 112.758 -2.019 . . . . 0.0 112.863 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.2 m -70.61 -37.48 73.84 Favored 'General case' 0 CA--C 1.574 1.89 0 C-N-CA 124.816 1.246 . . . . 0.0 110.569 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -74.58 -20.98 59.72 Favored 'General case' 0 N--CA 1.507 2.409 0 C-N-CA 124.31 1.044 . . . . 0.0 111.876 178.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.5 t -77.42 -50.93 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 125.546 1.538 . . . . 0.0 109.869 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.42 82.16 Favored 'General case' 0 C--N 1.393 2.465 0 C-N-CA 127.545 2.338 . . . . 0.0 112.985 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.46 -42.31 99.38 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 125.564 1.546 . . . . 0.0 109.246 172.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.442 HD21 HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.49 -31.68 63.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 124.424 1.077 . . . . 0.0 112.034 176.583 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.71 95.66 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 124.603 1.161 . . . . 0.0 111.687 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -71.6 -36.83 70.96 Favored 'General case' 0 N--CA 1.518 2.943 0 C-N-CA 126.308 1.843 . . . . 0.0 111.095 176.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -71.22 -29.31 64.97 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 125.721 1.608 . . . . 0.0 110.359 173.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -43.09 66.33 Favored 'General case' 0 C--N 1.377 1.795 0 C-N-CA 124.123 0.969 . . . . 0.0 111.606 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.51 -39.83 81.09 Favored 'General case' 0 C--N 1.389 2.299 0 C-N-CA 125.328 1.451 . . . . 0.0 112.216 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.48 83.53 Favored 'General case' 0 C--N 1.39 2.327 0 C-N-CA 126.006 1.722 . . . . 0.0 111.639 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -73.74 -27.02 60.96 Favored 'General case' 0 C--N 1.377 1.78 0 C-N-CA 124.234 1.014 . . . . 0.0 112.285 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.554 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 34.8 mt -63.1 -45.59 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.398 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.43 -44.4 83.01 Favored 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 124.872 1.269 . . . . 0.0 112.196 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.42 -44.96 57.21 Favored 'General case' 0 C--N 1.379 1.864 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.457 HD21 ' HB1' ' A' ' 15' ' ' ALA . 91.1 mt -85.18 -45.45 12.02 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -175.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.554 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 28.8 mt-30 -64.75 -36.52 84.58 Favored 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 118.816 0.734 . . . . 0.0 112.38 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -78.41 -39.93 37.43 Favored 'General case' 0 CA--C 1.589 2.466 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -76.92 -29.25 55.6 Favored 'General case' 0 N--CA 1.514 2.75 0 CA-C-N 119.548 1.067 . . . . 0.0 109.686 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.18 -22.92 47.93 Favored 'General case' 0 C--N 1.387 2.202 0 C-N-CA 125.614 1.566 . . . . 0.0 110.432 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.34 97.12 Favored 'General case' 0 C--N 1.415 3.414 0 C-N-CA 122.99 0.516 . . . . 0.0 112.356 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.8 p -75.93 -28.89 58.15 Favored 'General case' 0 C--N 1.395 2.575 0 C-N-CA 124.436 1.094 . . . . 0.0 111.175 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.0 -36.06 72.11 Favored 'General case' 0 N--CA 1.512 2.647 0 C-N-CA 124.612 1.165 . . . . 0.0 113.637 174.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.8 p -75.9 -9.73 58.84 Favored 'General case' 0 N--CA 1.525 3.309 0 C-N-CA 124.266 1.026 . . . . 0.0 112.175 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.1 tt . . . . . 0 N--CA 1.486 1.342 0 C-N-CA 127.474 2.309 . . . . 0.0 108.532 176.203 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? . . . . . 0 CA--C 1.561 1.403 0 CA-C-O 121.068 0.461 . . . . 0.0 112.134 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.8 mt -71.14 -41.49 70.38 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 124.18 0.992 . . . . 0.0 110.192 177.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -66.16 -41.72 89.98 Favored 'General case' 0 C--N 1.373 1.607 0 C-N-CA 127.982 2.513 . . . . 0.0 110.77 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.11 -35.5 78.25 Favored 'General case' 0 C--N 1.382 2.019 0 C-N-CA 125.009 1.324 . . . . 0.0 112.431 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -72.16 -48.28 44.54 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 123.479 0.712 . . . . 0.0 111.42 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.2 mp -64.53 -58.86 5.21 Favored 'General case' 0 CA--C 1.588 2.421 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.28 -43.82 63.69 Favored 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 117.264 2.32 . . . . 0.0 117.264 -177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.84 -38.23 73.2 Favored 'General case' 0 N--CA 1.512 2.629 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -68.69 -39.43 80.56 Favored 'General case' 0 C--N 1.387 2.205 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.96 -42.67 84.78 Favored 'General case' 0 N--CA 1.506 2.36 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -71.71 -43.07 66.57 Favored 'General case' 0 N--CA 1.519 3.001 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -69.17 -36.95 77.92 Favored 'General case' 0 N--CA 1.506 2.368 0 C-N-CA 124.302 1.041 . . . . 0.0 113.687 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.64 -35.35 75.15 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.52 1.128 . . . . 0.0 112.648 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -62.96 -43.77 97.89 Favored 'General case' 0 N--CA 1.513 2.721 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -72.91 -39.96 65.9 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.62 -32.81 70.76 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 123.454 0.471 . . . . 0.0 110.565 173.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.9 mt -70.95 -33.01 70.06 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 124.557 1.143 . . . . 0.0 113.075 176.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.4 -38.92 91.39 Favored 'General case' 0 C--N 1.406 3.054 0 C-N-CA 125.591 1.557 . . . . 0.0 111.825 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 62.3 mtt -63.77 -39.63 94.72 Favored 'General case' 0 C--N 1.39 2.357 0 O-C-N 125.077 1.486 . . . . 0.0 110.422 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.21 -39.35 86.29 Favored 'General case' 0 C--N 1.39 2.341 0 C-N-CA 124.772 1.229 . . . . 0.0 110.553 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -66.69 -40.69 88.61 Favored 'General case' 0 N--CA 1.517 2.914 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.33 -40.09 85.87 Favored 'General case' 0 N--CA 1.51 2.574 0 C-N-CA 124.057 0.943 . . . . 0.0 111.811 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -71.31 -29.48 65.08 Favored 'General case' 0 C--N 1.384 2.101 0 C-N-CA 124.501 1.12 . . . . 0.0 111.909 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 21.2 mt-10 -63.54 -44.93 92.79 Favored 'General case' 0 N--CA 1.507 2.411 0 C-N-CA 125.484 1.514 . . . . 0.0 113.711 177.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -74.18 -44.46 53.37 Favored 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.89 -39.88 72.54 Favored 'General case' 0 C--N 1.389 2.315 0 CA-C-N 114.258 -1.337 . . . . 0.0 114.574 -173.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -90.29 -12.08 38.89 Favored 'General case' 0 CA--C 1.582 2.176 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -63.98 -39.76 94.87 Favored 'General case' 0 N--CA 1.52 3.052 0 C-N-CA 125.891 1.676 . . . . 0.0 113.646 175.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -83.05 -15.42 51.05 Favored 'General case' 0 N--CA 1.511 2.585 0 C-N-CA 126.402 1.881 . . . . 0.0 114.141 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -93.66 -17.35 23.34 Favored 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 125.75 1.62 . . . . 0.0 110.133 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.6 t60 61.84 82.71 0.17 Allowed 'General case' 0 C--N 1.397 2.634 0 C-N-CA 126.29 1.836 . . . . 0.0 107.107 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.17 120.35 28.29 Favored Pre-proline 0 CA--C 1.556 1.188 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -172.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.63 -10.53 29.07 Favored 'Trans proline' 1 C--N 1.426 4.644 0 C-N-CA 123.219 2.612 . . . . 0.0 110.941 167.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -62.68 -31.29 72.16 Favored 'General case' 0 C--N 1.392 2.442 0 C-N-CA 124.482 1.113 . . . . 0.0 111.282 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.55 -38.72 78.42 Favored 'General case' 0 N--CA 1.526 3.369 0 C-N-CA 126.22 1.808 . . . . 0.0 112.329 176.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.55 -39.65 67.3 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 113.093 -1.867 . . . . 0.0 110.765 -176.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -72.76 -39.93 66.42 Favored 'General case' 0 CA--C 1.581 2.141 0 C-N-CA 123.671 0.788 . . . . 0.0 112.924 175.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -77.94 -47.09 19.41 Favored 'General case' 0 N--CA 1.513 2.683 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 50.1 mt -69.43 -39.33 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.695 0 C-N-CA 124.855 1.262 . . . . 0.0 110.252 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 99.6 m -63.45 -39.59 94.89 Favored 'General case' 0 N--CA 1.508 2.464 0 C-N-CA 124.21 1.004 . . . . 0.0 110.675 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.57 95.77 Favored 'General case' 0 N--CA 1.51 2.54 0 C-N-CA 124.619 1.167 . . . . 0.0 112.62 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.93 -26.41 56.87 Favored 'General case' 0 C--N 1.38 1.905 0 C-N-CA 124.673 1.189 . . . . 0.0 111.7 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -32.81 73.78 Favored 'General case' 0 C--N 1.39 2.331 0 C-N-CA 126.431 1.892 . . . . 0.0 111.512 177.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -76.59 -35.87 57.87 Favored 'General case' 0 C--N 1.393 2.465 0 C-N-CA 124.771 1.229 . . . . 0.0 109.322 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -71.68 -32.8 68.25 Favored 'General case' 0 C--N 1.387 2.231 0 C-N-CA 125.433 1.493 . . . . 0.0 112.703 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -39.3 90.35 Favored 'General case' 0 C--N 1.383 2.053 0 C-N-CA 124.782 1.233 . . . . 0.0 109.554 174.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.6 p -77.3 -36.73 53.88 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 123.619 0.767 . . . . 0.0 112.833 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -73.99 -30.35 62.43 Favored 'General case' 0 N--CA 1.518 2.957 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.32 -37.93 68.8 Favored 'General case' 0 C--N 1.386 2.18 0 C-N-CA 123.931 0.893 . . . . 0.0 108.91 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -60.26 -39.34 86.44 Favored 'General case' 0 C--N 1.389 2.323 0 C-N-CA 125.926 1.691 . . . . 0.0 113.949 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 33.0 m -64.36 -39.22 93.46 Favored 'General case' 0 C--N 1.384 2.091 0 C-N-CA 126.056 1.742 . . . . 0.0 109.551 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.23 -37.87 78.24 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 125.651 1.58 . . . . 0.0 111.924 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 39.2 mt -69.26 -45.25 79.64 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.983 0 C-N-CA 125.945 1.698 . . . . 0.0 109.788 175.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.99 94.01 Favored 'General case' 0 C--N 1.394 2.523 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 176.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.05 -38.52 82.56 Favored 'General case' 0 N--CA 1.516 2.837 0 C-N-CA 124.804 1.242 . . . . 0.0 113.723 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.2 p -70.61 -31.38 68.34 Favored 'General case' 0 N--CA 1.512 2.644 0 C-N-CA 124.373 1.069 . . . . 0.0 112.353 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.29 -35.82 76.42 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 125.224 1.41 . . . . 0.0 111.771 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.25 -35.37 79.39 Favored 'General case' 0 N--CA 1.513 2.696 0 C-N-CA 125.462 1.505 . . . . 0.0 112.629 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.03 -32.21 71.57 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 124.856 1.262 . . . . 0.0 111.002 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.4 mt -76.89 -27.51 55.02 Favored 'General case' 0 C--N 1.382 1.99 0 C-N-CA 125.777 1.631 . . . . 0.0 111.961 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -70.42 -44.1 68.61 Favored 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 116.445 2.017 . . . . 0.0 116.445 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 C--N 1.386 2.172 0 CA-C-N 118.832 0.742 . . . . 0.0 112.276 -175.33 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mtt . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.076 0.465 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -115.85 127.79 55.3 Favored 'General case' 0 N--CA 1.498 1.964 0 C-N-CA 124.034 0.933 . . . . 0.0 111.148 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p -125.78 128.52 24.56 Favored Pre-proline 0 N--CA 1.498 1.953 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.37 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -64.81 117.01 4.14 Favored 'Trans proline' 1 C--N 1.436 5.158 0 C-N-CA 123.019 2.479 . . . . 0.0 114.367 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.0 -46.65 5.53 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 123.361 0.664 . . . . 0.0 112.184 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.0 -36.65 56.25 Favored 'General case' 0 C--N 1.374 1.643 0 C-N-CA 125.027 1.331 . . . . 0.0 112.432 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.27 -32.44 70.26 Favored 'General case' 0 C--N 1.378 1.836 0 C-N-CA 124.405 1.082 . . . . 0.0 111.179 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -69.0 -37.43 78.7 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 124.511 1.132 . . . . 0.0 111.507 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -72.23 -40.91 67.4 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 124.286 1.034 . . . . 0.0 110.949 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.9 mt -58.76 -43.69 90.41 Favored 'General case' 0 C--N 1.388 2.282 0 O-C-N 124.294 0.997 . . . . 0.0 112.346 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -65.67 -39.55 91.44 Favored 'General case' 0 C--N 1.4 2.775 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 m -69.77 -37.29 76.34 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.991 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -61.98 -32.1 72.53 Favored 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 124.462 1.105 . . . . 0.0 111.769 175.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.4 t -75.31 -46.06 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 C-N-CA 125.336 1.455 . . . . 0.0 110.994 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.05 69.43 Favored 'General case' 0 N--CA 1.504 2.248 0 C-N-CA 123.564 0.746 . . . . 0.0 111.54 176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.62 93.19 Favored 'General case' 0 N--CA 1.514 2.733 0 C-N-CA 125.715 1.606 . . . . 0.0 110.998 171.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 mt -72.42 -37.21 68.68 Favored 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 124.336 1.055 . . . . 0.0 110.9 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -60.43 -40.64 91.79 Favored 'General case' 0 N--CA 1.5 2.071 0 C-N-CA 126.922 2.089 . . . . 0.0 112.232 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.18 -29.13 63.7 Favored 'General case' 0 N--CA 1.507 2.419 0 C-N-CA 123.455 0.702 . . . . 0.0 112.786 177.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mp -81.12 -18.32 46.85 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 125.897 1.679 . . . . 0.0 112.446 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.0 mt -114.74 15.24 8.07 Favored 'Isoleucine or valine' 0 CA--C 1.589 2.476 0 C-N-CA 128.169 2.588 . . . . 0.0 107.818 177.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.0 -98.56 0.45 Allowed Glycine 0 C--N 1.361 1.925 0 CA-C-O 116.537 -2.257 . . . . 0.0 114.834 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -50.6 -14.24 1.09 Allowed 'Trans proline' 1 C--N 1.424 4.541 0 C-N-CA 124.434 3.423 . . . . 0.0 117.486 178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mp -70.04 -37.52 75.6 Favored 'General case' 0 C--N 1.383 2.044 0 C-N-CA 124.755 1.222 . . . . 0.0 113.189 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.66 -11.3 59.87 Favored 'General case' 0 C--N 1.393 2.475 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -80.71 -25.46 38.1 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-N 118.452 0.569 . . . . 0.0 111.156 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -114.26 -173.92 2.38 Favored 'General case' 0 N--CA 1.499 2.01 0 C-N-CA 126.181 1.793 . . . . 0.0 110.233 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -91.97 92.17 8.19 Favored 'General case' 0 N--CA 1.501 2.079 0 CA-C-O 121.879 0.847 . . . . 0.0 111.548 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -129.61 155.86 45.14 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 114.251 -1.34 . . . . 0.0 111.851 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -97.67 97.87 9.39 Favored 'General case' 0 CA--C 1.58 2.122 0 C-N-CA 124.548 1.139 . . . . 0.0 111.464 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 63.1 m -114.17 105.23 54.35 Favored Pre-proline 0 C--N 1.383 2.043 0 CA-C-N 119.823 1.192 . . . . 0.0 111.968 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -82.12 -5.03 12.02 Favored 'Trans proline' 1 C--N 1.425 4.593 0 C-N-CA 123.489 2.792 . . . . 0.0 117.002 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -98.54 24.19 7.72 Favored 'General case' 0 N--CA 1.503 2.216 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -74.49 111.33 9.56 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.59 92.14 6.92 Favored 'General case' 0 C--N 1.372 1.585 0 CA-C-N 120.005 1.275 . . . . 0.0 110.379 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -83.8 -2.46 56.39 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 112.94 -1.937 . . . . 0.0 113.788 -177.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -80.09 -30.97 39.31 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 123.587 0.755 . . . . 0.0 110.641 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.7 mt -101.88 -2.26 30.29 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 123.992 0.917 . . . . 0.0 112.46 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.31 151.83 36.94 Favored 'General case' 0 C--N 1.382 1.997 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.49 106.7 10.38 Favored 'General case' 0 C--N 1.381 1.971 0 N-CA-C 106.301 -1.741 . . . . 0.0 106.301 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 0.1 OUTLIER 166.56 175.65 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 127.013 2.125 . . . . 0.0 108.296 -178.539 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -85.91 -41.17 15.17 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.41 81.27 0.09 OUTLIER Glycine 0 N--CA 1.509 3.56 0 N-CA-C 119.323 2.489 . . . . 0.0 119.323 172.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -145.35 17.84 1.53 Allowed 'General case' 0 C--N 1.372 1.544 0 CA-C-N 119.725 1.763 . . . . 0.0 106.774 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.593 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 75.5 ttt180 -157.37 153.84 27.95 Favored 'General case' 0 C--N 1.387 2.199 0 C-N-CA 126.365 1.866 . . . . 0.0 110.799 -174.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.18 -21.92 64.85 Favored 'General case' 0 N--CA 1.524 3.229 0 C-N-CA 123.894 0.878 . . . . 0.0 110.924 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.593 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -60.24 -40.44 97.35 Favored Glycine 0 C--N 1.382 3.116 0 N-CA-C 115.947 1.139 . . . . 0.0 115.947 -178.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.481 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 17.9 m-20 -77.83 -27.82 50.07 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 123.605 0.762 . . . . 0.0 112.962 -176.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -83.38 -28.1 29.16 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 114.718 -1.128 . . . . 0.0 110.231 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.4 HD22 HH22 ' A' ' 156' ' ' ARG . 3.6 mt -74.14 -36.45 64.13 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 124.962 1.305 . . . . 0.0 111.832 176.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -30.27 66.8 Favored 'General case' 0 C--N 1.371 1.543 0 C-N-CA 125.732 1.613 . . . . 0.0 111.322 176.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -81.61 -31.59 32.41 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 123.432 0.693 . . . . 0.0 109.796 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.36 -38.45 65.71 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 113.787 -1.551 . . . . 0.0 111.952 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -39.03 82.31 Favored 'General case' 0 CA--C 1.573 1.857 0 C-N-CA 124.447 1.099 . . . . 0.0 109.918 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.75 -27.17 61.87 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.903 1.681 . . . . 0.0 113.562 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.91 -31.66 40.18 Favored 'General case' 0 C--N 1.382 2.006 0 C-N-CA 123.946 0.898 . . . . 0.0 110.186 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.4 tp -71.35 -41.25 70.01 Favored 'General case' 0 C--N 1.382 2.002 0 C-N-CA 125.076 1.35 . . . . 0.0 110.065 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.4 p -71.95 -29.55 64.38 Favored 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 125.717 1.607 . . . . 0.0 113.593 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -76.87 -37.72 55.01 Favored 'General case' 0 N--CA 1.508 2.434 0 C-N-CA 123.603 0.761 . . . . 0.0 112.722 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.81 -31.96 68.88 Favored 'General case' 0 C--N 1.389 2.319 0 C-N-CA 124.753 1.221 . . . . 0.0 111.193 177.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -33.92 76.91 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 126.745 2.018 . . . . 0.0 111.785 176.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.35 -39.63 89.31 Favored 'General case' 0 C--N 1.393 2.49 0 O-C-N 124.025 0.828 . . . . 0.0 111.385 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.9 -28.01 68.62 Favored 'General case' 0 C--N 1.393 2.493 0 C-N-CA 125.093 1.357 . . . . 0.0 113.013 173.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.94 -40.38 88.83 Favored 'Isoleucine or valine' 0 C--N 1.382 1.994 0 C-N-CA 125.564 1.546 . . . . 0.0 108.31 175.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -68.36 -13.47 62.3 Favored 'General case' 0 N--CA 1.507 2.385 0 C-N-CA 126.417 1.887 . . . . 0.0 112.308 174.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -81.12 -38.82 26.61 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 171.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.81 31.11 2.59 Favored Glycine 0 C--N 1.378 2.889 0 N-CA-C 116.355 1.302 . . . . 0.0 116.355 171.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.3 111.58 23.33 Favored 'General case' 0 C--N 1.376 1.719 0 CA-C-O 121.779 0.8 . . . . 0.0 109.562 178.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.68 -24.96 61.92 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.496 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.5 m -71.26 -37.67 71.91 Favored 'General case' 0 CA--C 1.571 1.77 0 C-N-CA 125.136 1.374 . . . . 0.0 110.4 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.71 -22.25 58.94 Favored 'General case' 0 C--N 1.391 2.381 0 C-N-CA 124.456 1.102 . . . . 0.0 111.998 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.3 t -75.81 -49.4 26.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 C-N-CA 126.215 1.806 . . . . 0.0 109.663 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.03 -37.38 81.31 Favored 'General case' 0 C--N 1.384 2.097 0 C-N-CA 127.194 2.197 . . . . 0.0 112.718 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -64.14 -42.61 96.72 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 125.892 1.677 . . . . 0.0 109.924 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.44 -33.53 67.13 Favored 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 124.665 1.186 . . . . 0.0 110.711 176.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.04 94.61 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 124.489 1.116 . . . . 0.0 111.84 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.03 -38.08 72.58 Favored 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 126.202 1.801 . . . . 0.0 111.231 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.36 -29.45 64.98 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 125.366 1.466 . . . . 0.0 110.556 174.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.61 -42.14 64.81 Favored 'General case' 0 C--N 1.374 1.673 0 C-N-CA 123.942 0.897 . . . . 0.0 112.104 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.439 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.76 -40.17 79.9 Favored 'General case' 0 C--N 1.39 2.327 0 C-N-CA 125.205 1.402 . . . . 0.0 112.657 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.05 -37.94 84.94 Favored 'General case' 0 C--N 1.389 2.288 0 C-N-CA 126.085 1.754 . . . . 0.0 112.062 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -73.35 -27.29 61.42 Favored 'General case' 0 C--N 1.376 1.746 0 C-N-CA 124.229 1.011 . . . . 0.0 112.31 176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 80' ' ' ALA . 26.5 mt -61.9 -46.17 97.1 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.454 0 C-N-CA 123.167 0.587 . . . . 0.0 109.88 174.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.5 mt-10 -66.56 -43.57 84.65 Favored 'General case' 0 N--CA 1.503 2.215 0 C-N-CA 124.884 1.274 . . . . 0.0 112.032 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.29 -44.48 59.11 Favored 'General case' 0 C--N 1.377 1.778 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 mp -85.93 -44.71 12.16 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 115.786 1.772 . . . . 0.0 115.786 -175.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.43 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 45.0 mt-30 -66.13 -39.07 89.6 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 123.905 0.753 . . . . 0.0 112.407 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.6 mtt180 -78.72 -39.57 36.04 Favored 'General case' 0 C--N 1.388 2.269 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 178.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.73 -31.71 65.17 Favored 'General case' 0 N--CA 1.513 2.709 0 CA-C-N 119.467 1.03 . . . . 0.0 110.511 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.17 -29.14 61.63 Favored 'General case' 0 C--N 1.388 2.255 0 C-N-CA 124.271 1.029 . . . . 0.0 109.926 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.34 -35.78 73.81 Favored 'General case' 0 C--N 1.41 3.205 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.4 p -85.02 -22.41 29.05 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 123.96 0.904 . . . . 0.0 110.602 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.98 -26.77 57.07 Favored 'General case' 0 C--N 1.387 2.234 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.723 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.14 -8.92 58.1 Favored 'General case' 0 C--N 1.392 2.454 0 C-N-CA 125.57 1.548 . . . . 0.0 113.126 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mt -89.89 -25.69 20.85 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -88.37 -13.86 39.57 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 172.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -115.77 37.46 3.61 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 127.304 2.242 . . . . 0.0 114.326 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -126.14 -0.37 7.12 Favored 'General case' 0 CA--C 1.577 1.982 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -94.52 -89.54 0.23 Allowed 'General case' 0 C--N 1.379 1.857 0 CA-C-N 112.276 -2.238 . . . . 0.0 116.393 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -114.18 -23.79 9.29 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 125.14 1.376 . . . . 0.0 109.735 -177.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.99 -13.17 56.48 Favored 'General case' 0 C--N 1.368 1.396 0 CA-C-N 112.211 -2.268 . . . . 0.0 114.713 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -53.55 -40.05 65.23 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -171.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 mp -69.51 -52.96 13.51 Favored Pre-proline 0 CA--C 1.593 2.605 0 CA-C-O 116.525 -1.703 . . . . 0.0 112.545 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.3 2.05 8.41 Favored 'Trans proline' 1 C--N 1.451 5.973 0 C-N-CA 123.161 2.574 . . . . 0.0 115.106 173.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -164.7 92.21 0.11 Allowed Glycine 0 C--N 1.361 1.953 0 N-CA-C 110.549 -1.02 . . . . 0.0 110.549 175.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -163.6 -47.6 0.02 OUTLIER Glycine 0 C--N 1.344 0.978 0 C-N-CA 125.058 1.314 . . . . 0.0 110.132 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -78.67 -22.33 46.91 Favored 'General case' 0 N--CA 1.504 2.241 0 C-N-CA 124.815 1.246 . . . . 0.0 112.1 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 79.7 mt -70.78 -32.91 70.18 Favored 'General case' 0 N--CA 1.509 2.496 0 C-N-CA 125.066 1.346 . . . . 0.0 111.069 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -69.97 -31.69 69.53 Favored 'General case' 0 C--N 1.376 1.755 0 C-N-CA 125.507 1.523 . . . . 0.0 110.0 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.07 89.1 Favored 'General case' 0 C--N 1.393 2.474 0 C-N-CA 125.568 1.547 . . . . 0.0 110.904 173.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -71.37 -50.02 36.39 Favored 'General case' 0 C--N 1.384 2.071 0 C-N-CA 124.463 1.105 . . . . 0.0 111.045 176.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.68 -60.94 3.04 Favored 'General case' 0 CA--C 1.593 2.621 0 O-C-N 124.518 1.136 . . . . 0.0 113.201 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -86.2 -52.03 5.91 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -175.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.21 -35.82 74.15 Favored 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 -177.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -81.79 -22.09 37.35 Favored 'General case' 0 C--N 1.385 2.131 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -71.97 -25.84 62.02 Favored 'General case' 0 C--N 1.395 2.567 0 CA-C-N 118.196 0.453 . . . . 0.0 110.826 172.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -70.12 -42.46 72.61 Favored 'General case' 0 N--CA 1.512 2.65 0 C-N-CA 125.007 1.323 . . . . 0.0 112.139 175.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -68.04 -35.7 78.7 Favored 'General case' 0 C--N 1.391 2.382 0 C-N-CA 124.776 1.231 . . . . 0.0 112.73 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.34 -32.82 72.15 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 124.962 1.305 . . . . 0.0 111.692 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -64.49 -42.0 96.13 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 125.74 1.616 . . . . 0.0 112.781 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -72.58 -40.92 66.23 Favored 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mt -61.02 -33.18 72.88 Favored 'General case' 0 N--CA 1.5 2.06 0 CA-C-N 118.039 0.381 . . . . 0.0 110.135 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.25 -32.23 68.49 Favored 'General case' 0 C--N 1.379 1.872 0 C-N-CA 125.101 1.36 . . . . 0.0 112.664 175.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.68 -37.24 79.42 Favored 'General case' 0 C--N 1.403 2.91 0 C-N-CA 125.123 1.369 . . . . 0.0 111.654 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.4 mtt -65.03 -38.34 90.57 Favored 'General case' 0 C--N 1.393 2.482 0 C-N-CA 125.399 1.48 . . . . 0.0 110.477 177.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -69.25 -38.98 78.73 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 124.998 1.319 . . . . 0.0 110.673 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -74.15 -46.6 41.32 Favored 'General case' 0 N--CA 1.51 2.556 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.17 -40.78 77.94 Favored 'General case' 0 N--CA 1.514 2.728 0 C-N-CA 124.548 1.139 . . . . 0.0 113.341 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.71 -34.72 76.13 Favored 'General case' 0 C--N 1.383 2.056 0 C-N-CA 124.265 1.026 . . . . 0.0 111.713 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 27.2 tt0 -70.9 -29.93 66.13 Favored 'General case' 0 C--N 1.384 2.089 0 CA-C-O 117.772 -1.109 . . . . 0.0 113.264 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -71.02 -49.43 45.14 Favored 'General case' 0 N--CA 1.51 2.574 0 CA-C-N 119.361 0.982 . . . . 0.0 113.592 -177.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -75.63 -32.98 60.45 Favored 'General case' 0 C--N 1.389 2.304 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.419 -176.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.558 ' HB3' HD22 ' A' ' 141' ' ' LEU . 64.7 m-85 -88.14 -12.33 44.34 Favored 'General case' 0 CA--C 1.576 1.976 0 C-N-CA 124.318 1.047 . . . . 0.0 112.678 178.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -62.67 -33.76 75.71 Favored 'General case' 0 N--CA 1.522 3.171 0 C-N-CA 125.639 1.575 . . . . 0.0 110.504 174.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -67.25 -16.34 64.23 Favored 'General case' 0 N--CA 1.503 2.177 0 C-N-CA 125.618 1.567 . . . . 0.0 114.03 176.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -97.16 -28.98 13.86 Favored 'General case' 0 C--N 1.391 2.37 0 C-N-CA 124.401 1.08 . . . . 0.0 110.255 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 51.08 28.17 3.79 Favored 'General case' 0 N--CA 1.527 3.387 0 C-N-CA 128.392 2.677 . . . . 0.0 116.622 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.38 146.48 37.86 Favored Pre-proline 0 CA--C 1.584 2.274 0 CA-C-O 118.592 -0.718 . . . . 0.0 112.267 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -59.14 -11.29 12.41 Favored 'Trans proline' 1 C--N 1.427 4.68 0 C-N-CA 124.448 3.432 . . . . 0.0 118.081 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -70.29 -31.2 68.44 Favored 'General case' 0 N--CA 1.53 3.54 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -174.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 133' ' ' TYR . 0.0 OUTLIER -77.65 -29.96 51.91 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 126.364 1.866 . . . . 0.0 110.347 -179.297 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.12 -33.12 71.43 Favored 'General case' 0 C--N 1.391 2.402 0 C-N-CA 124.933 1.293 . . . . 0.0 109.813 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -71.49 -34.11 69.85 Favored 'General case' 0 CA--C 1.58 2.108 0 C-N-CA 123.733 0.813 . . . . 0.0 110.802 174.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.49 -43.79 65.9 Favored 'General case' 0 N--CA 1.516 2.871 0 C-N-CA 125.386 1.474 . . . . 0.0 114.72 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 141' ' ' LEU . 3.7 mt -69.14 -41.79 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.263 0 C-N-CA 125.238 1.415 . . . . 0.0 109.872 178.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.8 m -61.53 -39.85 92.54 Favored 'General case' 0 CA--C 1.587 2.375 0 C-N-CA 125.854 1.662 . . . . 0.0 111.405 176.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.18 94.69 Favored 'General case' 0 N--CA 1.51 2.573 0 C-N-CA 124.892 1.277 . . . . 0.0 112.693 176.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.4 mt -73.47 -28.6 62.02 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 125.049 1.34 . . . . 0.0 111.485 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.52 -35.45 79.12 Favored 'General case' 0 C--N 1.389 2.314 0 C-N-CA 126.076 1.75 . . . . 0.0 112.548 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -75.78 -35.59 60.05 Favored 'General case' 0 C--N 1.387 2.205 0 C-N-CA 125.441 1.497 . . . . 0.0 110.369 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -71.12 -35.03 71.62 Favored 'General case' 0 C--N 1.386 2.177 0 C-N-CA 125.188 1.395 . . . . 0.0 112.713 179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.16 -40.38 97.4 Favored 'General case' 0 C--N 1.381 1.964 0 C-N-CA 124.425 1.09 . . . . 0.0 109.962 174.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.73 -40.93 39.52 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 113.688 0.995 . . . . 0.0 113.688 178.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -71.09 -37.59 72.41 Favored 'General case' 0 N--CA 1.511 2.591 0 N-CA-C 114.333 1.234 . . . . 0.0 114.333 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 98.5 m -73.29 -39.18 65.54 Favored 'General case' 0 C--N 1.375 1.709 0 C-N-CA 123.483 0.713 . . . . 0.0 112.443 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.4 HH22 HD22 ' A' ' 50' ' ' LEU . 1.6 tmt_? -70.74 -39.75 73.15 Favored 'General case' 0 CA--C 1.581 2.152 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.7 m -71.67 -44.41 64.32 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 124.777 1.231 . . . . 0.0 112.863 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.41 87.39 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 125.162 1.385 . . . . 0.0 113.459 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 21.9 mt -71.8 -38.62 66.21 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.115 0 C-N-CA 125.268 1.427 . . . . 0.0 111.319 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.32 -39.6 95.02 Favored 'General case' 0 C--N 1.39 2.335 0 C-N-CA 124.24 1.016 . . . . 0.0 113.408 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.3 -40.24 89.88 Favored 'General case' 0 N--CA 1.512 2.642 0 C-N-CA 125.103 1.361 . . . . 0.0 112.692 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.6 p -71.13 -31.19 67.44 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 124.184 0.994 . . . . 0.0 112.225 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -72.99 -31.37 64.47 Favored 'General case' 0 C--N 1.383 2.048 0 C-N-CA 124.828 1.251 . . . . 0.0 112.197 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.84 -39.18 83.89 Favored 'General case' 0 N--CA 1.513 2.696 0 C-N-CA 124.987 1.315 . . . . 0.0 112.946 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.39 -33.85 71.88 Favored 'General case' 0 C--N 1.377 1.776 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.577 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.1 mt -70.75 -29.29 65.5 Favored 'General case' 0 N--CA 1.505 2.288 0 C-N-CA 125.217 1.407 . . . . 0.0 111.686 178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.64 -27.17 61.96 Favored 'General case' 0 C--N 1.38 1.929 0 C-N-CA 125.21 1.404 . . . . 0.0 112.701 177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.83 -25.08 30.64 Favored 'General case' 0 C--N 1.38 1.934 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -177.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.36 23.33 5.12 Favored 'Isoleucine or valine' 0 C--N 1.378 1.834 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 -176.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 67.0 m -57.5 -40.96 79.83 Favored 'General case' 0 C--N 1.377 1.776 0 CA-C-N 113.608 -1.633 . . . . 0.0 108.735 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 . . . . . 0 N--CA 1.494 1.768 0 CA-C-N 112.676 -2.056 . . . . 0.0 111.478 179.334 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.161 0.505 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -114.51 132.44 56.3 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 124.403 1.081 . . . . 0.0 110.872 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.56 125.75 28.15 Favored Pre-proline 0 CA--C 1.575 1.923 0 C-N-CA 123.429 0.691 . . . . 0.0 112.285 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -60.04 -27.39 84.79 Favored 'Trans proline' 1 C--N 1.432 4.953 0 C-N-CA 124.165 3.243 . . . . 0.0 117.215 177.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.64 -35.57 65.31 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 124.147 0.979 . . . . 0.0 112.222 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.36 -35.04 58.9 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 125.748 1.619 . . . . 0.0 112.435 178.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.38 -31.37 65.51 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 123.892 0.877 . . . . 0.0 110.048 177.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -66.09 -38.29 87.9 Favored 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 124.956 1.303 . . . . 0.0 111.829 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.4 m -71.99 -40.9 68.23 Favored 'General case' 0 C--N 1.382 1.98 0 C-N-CA 124.472 1.109 . . . . 0.0 110.634 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mt -58.79 -43.31 90.46 Favored 'General case' 0 C--N 1.386 2.187 0 O-C-N 124.372 1.045 . . . . 0.0 112.412 173.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -66.0 -39.58 90.41 Favored 'General case' 0 C--N 1.399 2.741 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -69.97 -35.76 74.68 Favored 'General case' 0 C--N 1.38 1.917 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.567 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.31 -32.73 73.52 Favored 'General case' 0 N--CA 1.506 2.371 0 C-N-CA 124.375 1.07 . . . . 0.0 111.413 174.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.3 t -73.86 -44.81 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.379 0 C-N-CA 125.566 1.546 . . . . 0.0 110.691 178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' HB1' HD21 ' A' ' 86' ' ' LEU . . . -69.19 -30.04 68.15 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 123.485 0.714 . . . . 0.0 111.337 175.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.86 93.3 Favored 'General case' 0 N--CA 1.514 2.747 0 C-N-CA 126.048 1.739 . . . . 0.0 110.446 172.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.1 -36.15 72.07 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 125.23 1.412 . . . . 0.0 110.511 177.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -59.77 -43.45 94.34 Favored 'General case' 0 N--CA 1.501 2.125 0 C-N-CA 127.354 2.262 . . . . 0.0 111.948 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.95 -15.0 59.34 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 124.87 1.268 . . . . 0.0 114.31 178.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.76 -17.27 19.48 Favored 'General case' 0 CA--C 1.564 1.487 0 C-N-CA 124.777 1.231 . . . . 0.0 109.228 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.55 14.91 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 127.162 2.185 . . . . 0.0 110.855 176.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.4 -77.44 0.32 Allowed Glycine 0 C--N 1.363 2.075 0 CA-C-O 116.628 -2.207 . . . . 0.0 114.458 -172.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -68.51 -2.57 9.45 Favored 'Trans proline' 0 C--N 1.411 3.859 0 CA-C-N 122.426 3.113 . . . . 0.0 115.739 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -9.32 51.55 Favored 'General case' 0 N--CA 1.507 2.386 0 C-N-CA 126.361 1.864 . . . . 0.0 112.046 178.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.51 90.03 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 117.034 2.235 . . . . 0.0 117.034 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.2 -43.94 5.32 Favored 'General case' 0 C--N 1.38 1.924 0 CA-C-O 121.767 0.794 . . . . 0.0 110.928 -178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -94.21 166.99 11.84 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 126.839 2.056 . . . . 0.0 114.32 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 59.95 45.92 11.65 Favored 'General case' 0 N--CA 1.536 3.83 0 C-N-CA 127.519 2.328 . . . . 0.0 114.343 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 60.36 -92.84 0.04 OUTLIER 'General case' 0 N--CA 1.519 3.008 0 C-N-CA 127.291 2.237 . . . . 0.0 112.086 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -151.45 156.65 41.05 Favored 'General case' 0 C--N 1.376 1.745 0 C-N-CA 124.294 1.038 . . . . 0.0 110.203 178.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.88 137.48 20.16 Favored Pre-proline 0 C--N 1.389 2.308 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.802 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.22 -8.75 24.12 Favored 'Trans proline' 1 C--N 1.427 4.666 0 C-N-CA 123.202 2.601 . . . . 0.0 117.153 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -108.52 19.67 19.49 Favored 'General case' 0 CA--C 1.579 2.092 0 CA-C-O 122.067 0.937 . . . . 0.0 112.52 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.24 109.68 10.12 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.571 177.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.05 88.75 4.05 Favored 'General case' 0 C--N 1.375 1.679 0 C-N-CA 118.036 -1.466 . . . . 0.0 109.554 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -83.45 6.27 20.78 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-N 113.552 -1.658 . . . . 0.0 114.235 -176.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -79.7 -27.17 40.73 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 124.034 0.933 . . . . 0.0 110.741 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 mt -95.28 -5.44 43.63 Favored 'General case' 0 C--N 1.389 2.292 0 O-C-N 123.897 0.748 . . . . 0.0 112.834 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.13 152.52 35.47 Favored 'General case' 0 C--N 1.383 2.032 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.41 105.77 9.69 Favored 'General case' 0 C--N 1.386 2.156 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.6 173.85 0.67 Allowed 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 113.143 -1.844 . . . . 0.0 109.768 -178.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -87.96 -41.17 13.33 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.73 80.05 0.1 OUTLIER Glycine 0 N--CA 1.506 3.305 0 N-CA-C 119.632 2.613 . . . . 0.0 119.632 170.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.89 20.69 2.85 Favored 'General case' 0 C--N 1.371 1.507 0 CA-C-N 119.598 1.699 . . . . 0.0 106.781 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.561 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 72.6 ttt180 -153.35 147.85 26.07 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.862 1.665 . . . . 0.0 110.519 -176.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -23.28 62.56 Favored 'General case' 0 N--CA 1.524 3.265 0 C-N-CA 123.843 0.857 . . . . 0.0 110.69 173.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.561 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -60.58 -40.57 98.03 Favored Glycine 0 C--N 1.38 2.98 0 C-N-CA 124.832 1.206 . . . . 0.0 115.933 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.65 -25.86 57.2 Favored 'General case' 0 N--CA 1.514 2.759 0 N-CA-C 113.723 1.008 . . . . 0.0 113.723 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -83.61 -30.03 27.26 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.083 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mt -74.45 -40.21 62.06 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 125.163 1.385 . . . . 0.0 112.547 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -30.85 70.2 Favored 'General case' 0 N--CA 1.497 1.91 0 C-N-CA 125.309 1.444 . . . . 0.0 111.24 176.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -77.54 -30.05 52.59 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 123.413 0.685 . . . . 0.0 110.064 177.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.27 -39.43 68.38 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 114.014 -1.448 . . . . 0.0 111.777 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -65.75 -39.86 91.52 Favored 'General case' 0 N--CA 1.507 2.404 0 C-N-CA 125.064 1.346 . . . . 0.0 110.871 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.54 -26.06 61.61 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 126.884 2.074 . . . . 0.0 113.445 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.9 m -78.47 -31.59 47.96 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 123.558 0.743 . . . . 0.0 110.414 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.0 tp -71.47 -41.14 69.72 Favored 'General case' 0 C--N 1.384 2.089 0 C-N-CA 125.126 1.37 . . . . 0.0 110.447 177.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.9 p -71.79 -31.07 66.22 Favored 'General case' 0 N--CA 1.504 2.256 0 C-N-CA 125.632 1.573 . . . . 0.0 113.487 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -75.97 -37.03 59.03 Favored 'General case' 0 N--CA 1.51 2.534 0 C-N-CA 123.751 0.82 . . . . 0.0 113.107 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.87 -29.98 66.23 Favored 'General case' 0 C--N 1.387 2.216 0 C-N-CA 124.567 1.147 . . . . 0.0 111.343 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.5 -35.3 80.02 Favored 'General case' 0 N--CA 1.506 2.37 0 C-N-CA 126.7 2.0 . . . . 0.0 111.752 175.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.63 -40.07 92.14 Favored 'General case' 0 C--N 1.393 2.457 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.202 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.57 -27.44 68.96 Favored 'General case' 0 C--N 1.397 2.668 0 C-N-CA 125.039 1.335 . . . . 0.0 113.586 173.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.21 -39.22 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.785 0 C-N-CA 125.413 1.485 . . . . 0.0 108.913 175.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -70.66 -10.41 59.31 Favored 'General case' 0 N--CA 1.504 2.253 0 C-N-CA 125.58 1.552 . . . . 0.0 112.146 174.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -92.73 -8.85 42.66 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 125.485 1.514 . . . . 0.0 111.829 176.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.21 35.35 18.12 Favored Glycine 0 C--N 1.376 2.788 0 N-CA-C 117.511 1.764 . . . . 0.0 117.511 178.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.0 96.04 6.76 Favored 'General case' 0 C--N 1.371 1.502 0 CA-C-O 122.244 1.021 . . . . 0.0 108.532 176.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.39 -22.47 61.12 Favored 'General case' 0 N--CA 1.505 2.3 0 CA-C-N 113.201 -1.818 . . . . 0.0 112.303 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.3 m -70.4 -36.4 74.05 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 125.32 1.448 . . . . 0.0 109.776 175.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.84 -20.68 59.65 Favored 'General case' 0 C--N 1.392 2.432 0 C-N-CA 124.01 0.924 . . . . 0.0 111.655 178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.7 t -75.06 -51.15 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 C-N-CA 126.215 1.806 . . . . 0.0 109.794 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.67 80.77 Favored 'General case' 0 C--N 1.38 1.901 0 C-N-CA 126.833 2.053 . . . . 0.0 113.004 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.21 -42.25 96.69 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 125.991 1.717 . . . . 0.0 110.633 174.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.01 -37.65 64.31 Favored 'General case' 0 CA--C 1.571 1.76 0 O-C-N 124.504 1.128 . . . . 0.0 110.394 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.05 98.38 Favored 'General case' 0 N--CA 1.517 2.922 0 C-N-CA 124.107 0.963 . . . . 0.0 112.679 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.14 -38.26 69.27 Favored 'General case' 0 N--CA 1.514 2.756 0 C-N-CA 125.658 1.583 . . . . 0.0 111.713 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.29 -29.82 64.23 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 125.373 1.469 . . . . 0.0 111.367 175.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -70.87 -47.99 56.23 Favored 'General case' 0 C--N 1.37 1.482 0 CA-C-O 117.738 -1.125 . . . . 0.0 112.921 179.8 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' ' 83' ' ' ILE . . . -69.48 -35.74 75.88 Favored 'General case' 0 C--N 1.384 2.082 0 C-N-CA 124.492 1.117 . . . . 0.0 112.876 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.66 86.8 Favored 'General case' 0 C--N 1.387 2.199 0 C-N-CA 125.151 1.38 . . . . 0.0 110.836 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -74.48 -27.58 60.64 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 124.154 0.982 . . . . 0.0 112.646 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -63.2 -42.79 97.78 Favored 'Isoleucine or valine' 0 C--N 1.39 2.348 0 CA-C-N 118.516 0.598 . . . . 0.0 110.567 177.347 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 3.2 mt-10 -68.34 -44.35 75.49 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 125.648 1.579 . . . . 0.0 111.998 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.53 -45.3 54.49 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -176.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.454 HD21 ' HB1' ' A' ' 15' ' ' ALA . 65.2 mt -86.16 -45.27 11.5 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 -175.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 69.3 mt-30 -65.72 -39.03 90.75 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 123.774 0.671 . . . . 0.0 111.803 178.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.6 mtt180 -78.16 -39.0 42.3 Favored 'General case' 0 C--N 1.389 2.295 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -71.79 -33.07 68.28 Favored 'General case' 0 N--CA 1.517 2.92 0 CA-C-N 119.829 1.195 . . . . 0.0 110.463 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.16 -30.19 62.14 Favored 'General case' 0 C--N 1.386 2.16 0 C-N-CA 124.179 0.992 . . . . 0.0 110.354 175.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.48 -34.68 76.35 Favored 'General case' 0 C--N 1.409 3.161 0 C-N-CA 124.607 1.163 . . . . 0.0 113.79 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.0 p -84.18 -21.47 31.28 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.241 1.017 . . . . 0.0 110.484 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -74.98 -28.2 60.46 Favored 'General case' 0 C--N 1.389 2.299 0 CA-C-N 114.293 -1.321 . . . . 0.0 112.24 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.93 -8.23 58.69 Favored 'General case' 0 C--N 1.395 2.584 0 C-N-CA 124.871 1.268 . . . . 0.0 111.934 177.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mt -89.98 -30.45 17.79 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 124.948 1.299 . . . . 0.0 114.467 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.26 -10.62 58.44 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 173.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -115.67 39.53 2.98 Favored 'General case' 0 C--N 1.38 1.9 0 C-N-CA 127.783 2.433 . . . . 0.0 113.86 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -126.05 1.3 7.24 Favored 'General case' 0 CA--C 1.578 2.056 0 N-CA-C 105.267 -2.123 . . . . 0.0 105.267 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -93.79 -89.65 0.21 Allowed 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 112.226 -2.261 . . . . 0.0 116.243 -176.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -113.72 -24.55 9.11 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 125.202 1.401 . . . . 0.0 109.468 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.98 -11.87 57.77 Favored 'General case' 0 C--N 1.369 1.432 0 CA-C-N 111.917 -2.401 . . . . 0.0 114.216 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -50.9 -41.16 58.24 Favored 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 -172.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.85 -53.29 27.85 Favored Pre-proline 0 CA--C 1.595 2.699 0 CA-C-O 116.587 -1.673 . . . . 0.0 112.81 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.07 11.13 2.41 Favored 'Trans proline' 1 C--N 1.451 5.971 0 C-N-CA 123.554 2.836 . . . . 0.0 114.37 173.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -121.61 6.35 10.57 Favored Glycine 0 C--N 1.364 2.112 0 C-N-CA 123.59 0.614 . . . . 0.0 112.673 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -99.55 -11.67 43.69 Favored Glycine 0 C--N 1.369 2.401 0 C-N-CA 123.515 0.579 . . . . 0.0 113.988 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -93.25 -44.56 8.26 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 124.825 1.25 . . . . 0.0 111.134 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.31 -40.69 67.3 Favored 'General case' 0 C--N 1.379 1.89 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -69.29 -33.43 73.18 Favored 'General case' 0 C--N 1.383 2.058 0 C-N-CA 124.363 1.065 . . . . 0.0 111.543 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.2 -36.71 83.77 Favored 'General case' 0 C--N 1.386 2.177 0 C-N-CA 125.485 1.514 . . . . 0.0 110.862 173.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.566 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 1.8 mpt_? -74.83 -49.61 20.04 Favored 'General case' 0 C--N 1.373 1.629 0 C-N-CA 123.852 0.861 . . . . 0.0 111.424 176.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.76 -60.86 2.76 Favored 'General case' 0 CA--C 1.6 2.901 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.16 -42.57 23.19 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 116.917 2.192 . . . . 0.0 116.917 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.51 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 39.6 mt-10 -72.5 -31.68 65.56 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.566 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 2.4 m-85 -68.31 -38.13 81.29 Favored 'General case' 0 C--N 1.39 2.351 0 CA-C-O 118.801 -0.619 . . . . 0.0 112.057 176.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.84 -38.02 82.65 Favored 'General case' 0 C--N 1.391 2.389 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.44 -42.43 78.85 Favored 'General case' 0 N--CA 1.52 3.061 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -72.01 -34.12 68.6 Favored 'General case' 0 N--CA 1.504 2.268 0 C-N-CA 124.106 0.962 . . . . 0.0 112.556 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 34.2 mt-10 -76.7 -18.92 58.24 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 124.392 1.077 . . . . 0.0 111.911 177.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -70.25 -50.69 37.18 Favored 'General case' 0 C--N 1.389 2.297 0 C-N-CA 125.256 1.422 . . . . 0.0 112.78 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -72.26 -38.5 68.84 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 152' ' ' LEU . 14.9 mt -60.5 -33.39 72.55 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 123.537 0.523 . . . . 0.0 110.523 174.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -71.23 -33.5 69.92 Favored 'General case' 0 C--N 1.381 1.966 0 C-N-CA 124.684 1.194 . . . . 0.0 111.932 176.172 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.92 -39.47 90.59 Favored 'General case' 0 C--N 1.41 3.196 0 C-N-CA 125.657 1.583 . . . . 0.0 112.369 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.7 mtt -63.46 -40.15 96.37 Favored 'General case' 0 C--N 1.392 2.429 0 O-C-N 124.819 1.325 . . . . 0.0 110.496 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -68.1 -38.56 82.45 Favored 'General case' 0 C--N 1.385 2.119 0 C-N-CA 124.87 1.268 . . . . 0.0 110.365 175.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -63.43 -37.74 88.46 Favored 'General case' 0 C--N 1.402 2.872 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.52 -39.89 85.08 Favored 'General case' 0 N--CA 1.506 2.345 0 C-N-CA 124.324 1.049 . . . . 0.0 111.054 176.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -74.22 -26.05 60.03 Favored 'General case' 0 C--N 1.383 2.058 0 C-N-CA 124.761 1.224 . . . . 0.0 112.645 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -69.18 -37.17 78.03 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 125.54 1.536 . . . . 0.0 111.539 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -66.58 -38.52 87.22 Favored 'General case' 0 C--N 1.386 2.175 0 C-N-CA 124.947 1.299 . . . . 0.0 110.669 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.71 -35.88 75.42 Favored 'General case' 0 C--N 1.389 2.285 0 C-N-CA 124.958 1.303 . . . . 0.0 111.791 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -68.56 -36.77 79.22 Favored 'General case' 0 C--N 1.392 2.416 0 C-N-CA 125.277 1.431 . . . . 0.0 111.854 177.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.16 -38.46 90.65 Favored 'General case' 0 CA--C 1.569 1.702 0 C-N-CA 125.221 1.408 . . . . 0.0 113.528 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -90.58 -38.88 12.87 Favored 'General case' 0 C--N 1.386 2.173 0 N-CA-C 116.344 1.979 . . . . 0.0 116.344 -177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -106.93 -30.24 8.98 Favored 'General case' 0 C--N 1.393 2.469 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 -174.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 55.8 26.14 9.23 Favored 'General case' 0 N--CA 1.53 3.53 0 C-N-CA 127.53 2.332 . . . . 0.0 116.472 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.82 141.25 68.11 Favored Pre-proline 0 N--CA 1.5 2.063 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.44 -13.87 31.68 Favored 'Trans proline' 1 C--N 1.432 4.933 0 C-N-CA 124.073 3.182 . . . . 0.0 116.728 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -69.03 -37.66 78.75 Favored 'General case' 0 N--CA 1.527 3.408 0 C-N-CA 124.381 1.072 . . . . 0.0 113.321 -177.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.92 -29.51 50.09 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 126.607 1.963 . . . . 0.0 110.069 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.24 -36.77 77.51 Favored 'General case' 0 C--N 1.379 1.878 0 C-N-CA 126.757 2.023 . . . . 0.0 110.233 178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.24 -34.12 72.47 Favored 'General case' 0 C--N 1.379 1.886 0 C-N-CA 124.139 0.976 . . . . 0.0 110.601 173.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.25 -42.09 66.03 Favored 'General case' 0 N--CA 1.512 2.634 0 C-N-CA 125.226 1.41 . . . . 0.0 114.424 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.9 mt -66.63 -43.46 90.37 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.334 0 C-N-CA 125.1 1.36 . . . . 0.0 108.813 177.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.4 m -62.64 -41.55 99.09 Favored 'General case' 0 CA--C 1.59 2.486 0 C-N-CA 126.154 1.781 . . . . 0.0 111.432 177.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.73 95.37 Favored 'General case' 0 N--CA 1.513 2.693 0 C-N-CA 124.677 1.191 . . . . 0.0 112.467 175.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.26 -26.44 58.81 Favored 'General case' 0 C--N 1.381 1.96 0 C-N-CA 124.705 1.202 . . . . 0.0 111.886 177.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -37.86 89.04 Favored 'General case' 0 C--N 1.391 2.398 0 C-N-CA 126.249 1.82 . . . . 0.0 112.286 177.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -75.41 -35.09 61.07 Favored 'General case' 0 C--N 1.39 2.367 0 C-N-CA 124.897 1.279 . . . . 0.0 110.149 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -70.68 -34.21 71.75 Favored 'General case' 0 C--N 1.388 2.24 0 C-N-CA 125.406 1.482 . . . . 0.0 112.592 178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -63.94 -39.35 93.96 Favored 'General case' 0 C--N 1.379 1.866 0 C-N-CA 124.711 1.204 . . . . 0.0 109.851 175.106 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.7 p -76.29 -38.91 55.47 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.156 0.91 . . . . 0.0 112.658 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -71.28 -35.19 71.25 Favored 'General case' 0 N--CA 1.511 2.578 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 83.4 m -72.08 -39.38 69.02 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 123.739 0.816 . . . . 0.0 112.41 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -29.67 69.91 Favored 'General case' 0 N--CA 1.51 2.527 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.64 -42.31 35.27 Favored 'General case' 0 N--CA 1.502 2.166 0 C-N-CA 123.527 0.731 . . . . 0.0 112.287 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.15 -36.88 75.04 Favored 'General case' 0 C--N 1.379 1.85 0 C-N-CA 125.365 1.466 . . . . 0.0 113.075 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 33.8 mt -70.11 -40.13 77.94 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.85 0 C-N-CA 125.448 1.499 . . . . 0.0 110.6 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.84 96.97 Favored 'General case' 0 C--N 1.393 2.479 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.53 -40.53 76.85 Favored 'General case' 0 N--CA 1.514 2.762 0 C-N-CA 124.903 1.281 . . . . 0.0 114.044 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.2 p -70.93 -36.16 72.52 Favored 'General case' 0 N--CA 1.51 2.544 0 C-N-CA 124.303 1.041 . . . . 0.0 112.499 179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -72.21 -32.6 66.92 Favored 'General case' 0 C--N 1.379 1.871 0 C-N-CA 124.536 1.134 . . . . 0.0 111.964 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -66.35 -37.32 85.06 Favored 'General case' 0 N--CA 1.51 2.538 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.419 ' O ' HG12 ' A' ' 169' ' ' ILE . . . -70.58 -36.07 73.38 Favored 'General case' 0 C--N 1.372 1.545 0 O-C-N 124.57 1.169 . . . . 0.0 110.581 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.3 mt -74.7 -31.74 61.96 Favored 'General case' 0 C--N 1.39 2.366 0 C-N-CA 126.085 1.754 . . . . 0.0 112.651 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -72.41 -29.63 63.9 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 125.302 1.441 . . . . 0.0 113.169 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.08 -13.55 49.99 Favored 'General case' 0 C--N 1.382 2.008 0 N-CA-C 115.426 1.639 . . . . 0.0 115.426 -177.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 165' ' ' ALA . 1.1 pt -100.73 -10.56 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 C-N-CA 123.492 0.717 . . . . 0.0 112.316 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.8 t -100.16 6.77 44.85 Favored 'General case' 0 CA--C 1.58 2.115 0 C-N-CA 125.283 1.433 . . . . 0.0 111.067 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 . . . . . 0 N--CA 1.495 1.819 0 C-N-CA 123.973 0.909 . . . . 0.0 112.052 -176.066 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtt . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 120.99 0.424 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -115.49 -54.85 2.5 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.444 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.88 119.88 10.85 Favored Pre-proline 0 C--N 1.379 1.878 0 C-N-CA 123.656 0.782 . . . . 0.0 111.77 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.82 -23.4 76.59 Favored 'Trans proline' 1 C--N 1.433 4.995 0 C-N-CA 124.266 3.311 . . . . 0.0 117.528 177.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mt -81.48 -34.11 31.54 Favored 'General case' 0 N--CA 1.507 2.41 0 CA-C-N 119.001 0.818 . . . . 0.0 111.911 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.5 -36.57 52.47 Favored 'General case' 0 C--N 1.374 1.665 0 C-N-CA 125.356 1.462 . . . . 0.0 112.555 178.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -29.8 65.47 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 124.009 0.924 . . . . 0.0 110.309 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -67.13 -37.98 84.77 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 124.517 1.136 . . . . 0.0 111.545 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.4 m -71.53 -41.19 69.48 Favored 'General case' 0 C--N 1.387 2.224 0 C-N-CA 124.259 1.024 . . . . 0.0 110.679 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.91 -43.86 86.44 Favored 'General case' 0 C--N 1.389 2.31 0 O-C-N 124.388 1.055 . . . . 0.0 111.703 172.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -65.12 -41.74 94.58 Favored 'General case' 0 C--N 1.396 2.63 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.8 m -67.91 -39.67 83.52 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.631 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.25 -32.55 72.36 Favored 'General case' 0 N--CA 1.504 2.243 0 C-N-CA 124.851 1.26 . . . . 0.0 111.89 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -74.54 -46.61 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.283 0 C-N-CA 125.162 1.385 . . . . 0.0 111.168 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 -32.34 72.28 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 123.835 0.854 . . . . 0.0 111.531 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.45 92.22 Favored 'General case' 0 N--CA 1.51 2.555 0 C-N-CA 125.647 1.579 . . . . 0.0 111.483 172.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mt -73.39 -37.21 66.05 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 124.1 0.96 . . . . 0.0 111.104 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -60.95 -39.02 87.91 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 126.906 2.082 . . . . 0.0 112.09 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.01 -32.35 70.48 Favored 'General case' 0 N--CA 1.509 2.482 0 C-N-CA 123.487 0.715 . . . . 0.0 112.282 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mp -80.24 -22.17 42.04 Favored 'General case' 0 N--CA 1.504 2.259 0 C-N-CA 125.982 1.713 . . . . 0.0 112.831 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.1 mt -109.29 15.3 8.12 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.66 0 C-N-CA 127.514 2.326 . . . . 0.0 108.758 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.87 -75.44 0.67 Allowed Glycine 0 N--CA 1.502 3.083 0 CA-C-O 117.935 -1.481 . . . . 0.0 115.718 -174.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.33 -7.8 15.02 Favored 'Trans proline' 0 C--N 1.412 3.917 0 C-N-CA 123.687 2.925 . . . . 0.0 117.405 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.21 -61.95 1.62 Allowed 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 126.303 1.841 . . . . 0.0 113.043 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.52 -10.29 59.77 Favored 'General case' 0 N--CA 1.508 2.444 0 CA-C-N 120.051 1.296 . . . . 0.0 113.797 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.35 -4.2 59.13 Favored 'General case' 0 CA--C 1.582 2.176 0 C-N-CA 125.074 1.35 . . . . 0.0 111.989 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -103.82 -103.91 0.3 Allowed 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 124.662 1.185 . . . . 0.0 111.476 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -134.31 -41.26 0.8 Allowed 'General case' 0 N--CA 1.51 2.552 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -95.93 146.29 24.71 Favored 'General case' 0 N--CA 1.506 2.346 0 C-N-CA 124.342 1.057 . . . . 0.0 112.993 -178.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -87.35 157.93 19.15 Favored 'General case' 0 CA--C 1.576 1.947 0 C-N-CA 123.504 0.721 . . . . 0.0 112.86 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 t -97.77 130.98 27.72 Favored Pre-proline 0 C--N 1.39 2.344 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -177.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -66.07 -13.14 38.5 Favored 'Trans proline' 1 C--N 1.433 5.004 0 C-N-CA 124.308 3.338 . . . . 0.0 115.942 176.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -97.73 7.29 46.67 Favored 'General case' 0 CA--C 1.58 2.105 0 C-N-CA 125.382 1.473 . . . . 0.0 113.538 -177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -66.37 119.03 10.89 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.27 91.58 6.78 Favored 'General case' 0 C--N 1.368 1.373 0 CA-C-O 122.232 1.015 . . . . 0.0 109.249 179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -80.68 -10.0 59.76 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 113.37 -1.741 . . . . 0.0 114.024 -175.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -80.69 -28.05 36.84 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 123.339 0.656 . . . . 0.0 111.291 -177.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mt -101.2 -4.33 27.39 Favored 'General case' 0 C--N 1.388 2.254 0 O-C-N 123.559 0.537 . . . . 0.0 112.305 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -118.83 153.4 34.56 Favored 'General case' 0 C--N 1.383 2.056 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.3 109.86 14.47 Favored 'General case' 0 C--N 1.382 2.006 0 N-CA-C 104.766 -2.309 . . . . 0.0 104.766 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.9 p -146.15 147.97 32.08 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.209 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -85.22 -34.91 21.91 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 114.183 -1.371 . . . . 0.0 110.181 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.67 87.88 2.01 Favored Glycine 0 C--N 1.381 3.054 0 CA-C-O 118.163 -1.354 . . . . 0.0 113.457 175.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -126.55 -75.42 0.58 Allowed 'General case' 0 C--N 1.372 1.555 0 N-CA-C 105.58 -2.008 . . . . 0.0 105.58 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.7 ptt180 -148.09 -167.98 2.95 Favored 'General case' 0 N--CA 1.509 2.491 0 CA-C-N 112.53 -2.123 . . . . 0.0 111.22 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -17.86 63.65 Favored 'General case' 0 C--N 1.413 3.354 0 C-N-CA 124.555 1.142 . . . . 0.0 109.838 173.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.72 -37.56 77.58 Favored Glycine 0 C--N 1.388 3.434 0 C-N-CA 125.585 1.565 . . . . 0.0 114.036 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.43 -22.49 59.11 Favored 'General case' 0 N--CA 1.524 3.236 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -83.34 -30.85 27.14 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.27 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -75.24 -36.89 61.25 Favored 'General case' 0 C--N 1.378 1.81 0 C-N-CA 125.181 1.393 . . . . 0.0 111.745 175.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -36.48 78.26 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 124.995 1.318 . . . . 0.0 111.625 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.27 -31.72 60.84 Favored 'General case' 0 C--N 1.381 1.953 0 C-N-CA 123.734 0.814 . . . . 0.0 111.502 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.41 -40.54 70.43 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-N 113.874 -1.512 . . . . 0.0 111.311 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -36.84 79.92 Favored 'General case' 0 CA--C 1.576 1.976 0 C-N-CA 124.612 1.165 . . . . 0.0 110.298 175.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.4 -25.34 62.3 Favored 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 125.758 1.623 . . . . 0.0 112.55 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.3 m -78.52 -30.99 47.38 Favored 'General case' 0 C--N 1.383 2.063 0 C-N-CA 124.038 0.935 . . . . 0.0 110.253 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.12 -42.93 65.48 Favored 'General case' 0 C--N 1.387 2.22 0 C-N-CA 124.278 1.031 . . . . 0.0 110.805 176.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.2 p -70.04 -31.79 69.59 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 126.255 1.822 . . . . 0.0 113.214 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -76.63 -35.37 58.09 Favored 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 123.602 0.761 . . . . 0.0 112.281 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.4 -30.97 66.72 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 124.812 1.245 . . . . 0.0 111.495 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.23 -37.15 86.36 Favored 'General case' 0 N--CA 1.504 2.265 0 C-N-CA 126.668 1.987 . . . . 0.0 111.79 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.44 -38.76 88.12 Favored 'General case' 0 C--N 1.39 2.353 0 O-C-N 124.258 0.974 . . . . 0.0 111.206 178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.3 -29.17 70.26 Favored 'General case' 0 C--N 1.392 2.416 0 C-N-CA 125.209 1.404 . . . . 0.0 113.4 173.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.32 -39.85 87.0 Favored 'Isoleucine or valine' 0 C--N 1.389 2.313 0 C-N-CA 125.038 1.335 . . . . 0.0 108.637 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -64.42 -24.29 67.58 Favored 'General case' 0 N--CA 1.504 2.251 0 C-N-CA 126.568 1.947 . . . . 0.0 111.688 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -71.82 -39.79 69.57 Favored 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 171.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.49 34.04 1.99 Allowed Glycine 0 C--N 1.382 3.124 0 N-CA-C 116.192 1.237 . . . . 0.0 116.192 171.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.78 111.5 23.45 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-O 121.855 0.836 . . . . 0.0 110.184 178.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.59 -25.25 62.11 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 113.435 -1.711 . . . . 0.0 112.512 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.9 m -70.88 -37.04 73.01 Favored 'General case' 0 CA--C 1.573 1.843 0 C-N-CA 125.374 1.469 . . . . 0.0 110.711 176.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -75.09 -22.6 58.17 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 123.891 0.876 . . . . 0.0 112.017 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -75.83 -48.98 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 C-N-CA 126.692 1.997 . . . . 0.0 109.701 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.44 82.93 Favored 'General case' 0 C--N 1.383 2.042 0 C-N-CA 127.087 2.155 . . . . 0.0 112.571 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -45.86 91.47 Favored 'General case' 0 N--CA 1.495 1.786 0 C-N-CA 125.254 1.422 . . . . 0.0 109.062 172.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.69 -40.01 94.64 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 125.034 1.459 . . . . 0.0 111.249 175.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.43 98.07 Favored 'General case' 0 N--CA 1.514 2.754 0 C-N-CA 124.861 1.264 . . . . 0.0 112.587 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -70.78 -36.1 72.88 Favored 'General case' 0 N--CA 1.515 2.803 0 C-N-CA 126.184 1.794 . . . . 0.0 111.08 176.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -70.38 -30.12 66.95 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 125.623 1.569 . . . . 0.0 110.289 173.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.85 -44.65 66.0 Favored 'General case' 0 CA--C 1.573 1.857 0 C-N-CA 124.986 1.314 . . . . 0.0 111.657 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.412 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -67.72 -40.3 84.24 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 125.016 1.326 . . . . 0.0 112.677 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.56 -37.79 85.71 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 126.281 1.832 . . . . 0.0 112.149 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -73.78 -27.92 61.39 Favored 'General case' 0 C--N 1.377 1.778 0 C-N-CA 123.842 0.857 . . . . 0.0 112.901 177.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.554 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 33.5 mt -62.49 -46.38 96.53 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.34 0 O-C-N 123.469 0.481 . . . . 0.0 109.756 175.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.3 mt-10 -66.44 -44.67 82.22 Favored 'General case' 0 N--CA 1.502 2.159 0 C-N-CA 124.755 1.222 . . . . 0.0 112.37 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.38 -46.93 46.09 Favored 'General case' 0 C--N 1.377 1.771 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -176.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.1 mt -85.84 -42.09 14.45 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -174.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.554 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 22.1 mt-30 -66.63 -39.93 88.51 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 123.922 0.764 . . . . 0.0 111.624 178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 2.0 mtp180 -79.83 -41.3 26.68 Favored 'General case' 0 C--N 1.389 2.307 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -70.93 -34.7 71.75 Favored 'General case' 0 N--CA 1.515 2.775 0 CA-C-N 119.265 0.939 . . . . 0.0 111.274 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.66 -28.13 60.72 Favored 'General case' 0 CA--C 1.576 1.942 0 C-N-CA 123.665 0.786 . . . . 0.0 110.089 174.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.28 -37.2 74.79 Favored 'General case' 0 C--N 1.414 3.37 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -85.51 -23.33 27.78 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 124.38 1.072 . . . . 0.0 110.767 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.45 -29.74 59.75 Favored 'General case' 0 C--N 1.387 2.197 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.491 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.4 p -79.2 -8.53 59.09 Favored 'General case' 0 C--N 1.392 2.418 0 C-N-CA 124.99 1.316 . . . . 0.0 113.118 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.9 -35.24 16.62 Favored 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 124.87 1.268 . . . . 0.0 114.102 -179.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -81.91 -11.74 58.76 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -113.1 42.34 1.92 Allowed 'General case' 0 C--N 1.38 1.933 0 C-N-CA 128.352 2.661 . . . . 0.0 112.246 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -127.72 -21.18 3.79 Favored 'General case' 0 CA--C 1.581 2.158 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -88.48 -98.47 0.09 Allowed 'General case' 0 C--N 1.402 2.873 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -109.76 -21.5 12.36 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 124.679 1.192 . . . . 0.0 110.476 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.16 -10.28 58.72 Favored 'General case' 0 CA--C 1.564 1.498 0 CA-C-N 112.799 -2.0 . . . . 0.0 113.274 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -51.55 -47.35 63.45 Favored 'General case' 0 N--CA 1.506 2.366 0 C-N-CA 128.206 2.602 . . . . 0.0 116.327 -172.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.6 mt -54.3 -43.85 97.98 Favored Pre-proline 0 N--CA 1.506 2.356 0 N-CA-C 121.514 3.894 . . . . 0.0 121.514 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.86 -35.77 92.82 Favored 'Trans proline' 1 C--N 1.451 5.922 0 CA-C-N 126.062 3.201 . . . . 0.0 115.759 -175.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -78.98 -77.46 0.89 Allowed Glycine 0 C--N 1.378 2.89 0 O-C-N 125.132 1.52 . . . . 0.0 114.836 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.44 -84.05 0.35 Allowed Glycine 0 C--N 1.37 2.439 0 O-C-N 124.047 0.498 . . . . 0.0 112.656 -176.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -115.16 8.03 15.5 Favored 'General case' 0 CA--C 1.571 1.765 0 C-N-CA 124.63 1.172 . . . . 0.0 112.26 177.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 76.4 mt -72.15 -37.11 69.48 Favored 'General case' 0 N--CA 1.517 2.905 0 C-N-CA 123.358 0.663 . . . . 0.0 111.083 176.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -70.81 -27.78 64.14 Favored 'General case' 0 C--N 1.384 2.096 0 C-N-CA 125.143 1.377 . . . . 0.0 109.45 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.98 -32.76 72.56 Favored 'General case' 0 C--N 1.391 2.406 0 C-N-CA 126.054 1.742 . . . . 0.0 110.97 173.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 6.6 mpt_? -73.43 -48.36 34.36 Favored 'General case' 0 C--N 1.393 2.493 0 C-N-CA 123.611 0.764 . . . . 0.0 109.257 176.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.14 -62.02 2.13 Favored 'General case' 0 CA--C 1.599 2.834 0 O-C-N 124.533 1.145 . . . . 0.0 113.255 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.34 -49.56 7.16 Favored 'General case' 0 C--N 1.383 2.04 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -175.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -70.92 -35.82 72.42 Favored 'General case' 0 N--CA 1.51 2.551 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.582 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 7.5 m-85 -70.97 -37.88 72.77 Favored 'General case' 0 C--N 1.392 2.431 0 CA-C-N 118.541 0.61 . . . . 0.0 111.89 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -67.92 -35.61 78.74 Favored 'General case' 0 C--N 1.397 2.634 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 176.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.11 -43.42 98.52 Favored 'General case' 0 N--CA 1.525 3.287 0 C-N-CA 124.904 1.281 . . . . 0.0 114.313 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -68.45 -35.81 78.11 Favored 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 124.381 1.072 . . . . 0.0 112.331 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -68.7 -35.68 77.48 Favored 'General case' 0 C--N 1.378 1.82 0 C-N-CA 124.856 1.262 . . . . 0.0 112.384 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -63.1 -41.81 99.47 Favored 'General case' 0 N--CA 1.507 2.392 0 C-N-CA 125.313 1.445 . . . . 0.0 114.389 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -73.24 -40.65 64.48 Favored 'General case' 0 N--CA 1.508 2.46 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.64 -33.5 71.6 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 123.422 0.451 . . . . 0.0 110.362 174.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.05 -33.83 70.65 Favored 'General case' 0 C--N 1.374 1.667 0 C-N-CA 125.289 1.436 . . . . 0.0 113.27 176.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.14 86.35 Favored 'General case' 0 C--N 1.399 2.754 0 C-N-CA 124.854 1.262 . . . . 0.0 111.667 -178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.0 mtt -65.73 -38.24 88.61 Favored 'General case' 0 C--N 1.391 2.395 0 CA-C-N 113.628 -1.624 . . . . 0.0 110.885 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -69.55 -38.46 77.46 Favored 'General case' 0 C--N 1.382 2.004 0 C-N-CA 124.642 1.177 . . . . 0.0 111.224 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -73.37 -46.75 47.22 Favored 'General case' 0 N--CA 1.508 2.434 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 -177.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.34 -40.9 73.82 Favored 'General case' 0 N--CA 1.509 2.502 0 C-N-CA 124.022 0.929 . . . . 0.0 113.299 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -68.55 -37.68 80.13 Favored 'General case' 0 C--N 1.384 2.105 0 C-N-CA 124.145 0.978 . . . . 0.0 112.813 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 0.4 OUTLIER -80.21 -14.37 58.49 Favored 'General case' 0 C--N 1.386 2.161 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.186 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -74.35 -52.74 11.3 Favored 'General case' 0 N--CA 1.504 2.239 0 CA-C-N 118.788 0.722 . . . . 0.0 112.109 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -74.21 -30.71 62.32 Favored 'General case' 0 C--N 1.392 2.422 0 C-N-CA 124.147 0.979 . . . . 0.0 111.889 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -86.05 -14.17 45.19 Favored 'General case' 0 CA--C 1.574 1.876 0 C-N-CA 124.534 1.134 . . . . 0.0 112.566 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -62.67 -35.06 78.45 Favored 'General case' 0 N--CA 1.521 3.076 0 C-N-CA 125.352 1.461 . . . . 0.0 110.223 174.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.77 -38.35 87.7 Favored 'General case' 0 N--CA 1.503 2.188 0 C-N-CA 125.135 1.374 . . . . 0.0 112.71 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -70.63 -30.12 66.68 Favored 'General case' 0 C--N 1.396 2.615 0 C-N-CA 125.072 1.349 . . . . 0.0 112.498 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 51.54 27.4 3.85 Favored 'General case' 0 N--CA 1.528 3.45 0 C-N-CA 127.86 2.464 . . . . 0.0 117.01 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.58 148.95 39.81 Favored Pre-proline 0 CA--C 1.583 2.22 0 CA-C-O 118.648 -0.691 . . . . 0.0 112.143 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.05 -11.95 17.42 Favored 'Trans proline' 1 C--N 1.427 4.688 0 C-N-CA 124.167 3.244 . . . . 0.0 117.72 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -33.18 65.45 Favored 'General case' 0 N--CA 1.524 3.242 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -173.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -31.16 56.45 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 125.976 1.71 . . . . 0.0 110.73 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.24 -33.53 69.92 Favored 'General case' 0 C--N 1.385 2.137 0 C-N-CA 124.618 1.167 . . . . 0.0 109.787 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.12 -28.94 63.6 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 124.095 0.958 . . . . 0.0 111.995 176.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -76.2 -43.69 41.26 Favored 'General case' 0 C--N 1.395 2.578 0 C-N-CA 124.654 1.182 . . . . 0.0 112.706 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.1 mp -70.76 -40.58 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 C-N-CA 126.64 1.976 . . . . 0.0 112.106 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 18.5 m -62.01 -38.61 89.29 Favored 'General case' 0 CA--C 1.584 2.275 0 C-N-CA 125.94 1.696 . . . . 0.0 110.234 174.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.12 94.9 Favored 'General case' 0 N--CA 1.507 2.386 0 C-N-CA 124.813 1.245 . . . . 0.0 112.002 175.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.46 -28.47 61.97 Favored 'General case' 0 C--N 1.387 2.202 0 C-N-CA 125.187 1.395 . . . . 0.0 111.552 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.77 -34.74 76.09 Favored 'General case' 0 C--N 1.39 2.341 0 C-N-CA 126.646 1.978 . . . . 0.0 111.391 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -76.28 -33.5 59.11 Favored 'General case' 0 C--N 1.38 1.908 0 C-N-CA 125.805 1.642 . . . . 0.0 109.853 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -71.96 -34.9 69.36 Favored 'General case' 0 C--N 1.385 2.126 0 C-N-CA 125.349 1.46 . . . . 0.0 112.626 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.82 -40.64 98.03 Favored 'General case' 0 C--N 1.38 1.912 0 C-N-CA 124.393 1.077 . . . . 0.0 109.863 174.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.3 p -77.55 -40.4 42.64 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -71.26 -36.05 71.61 Favored 'General case' 0 N--CA 1.514 2.773 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 90.0 m -73.24 -38.35 66.03 Favored 'General case' 0 C--N 1.378 1.814 0 C-N-CA 123.453 0.701 . . . . 0.0 111.679 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -64.71 -39.69 94.08 Favored 'General case' 0 C--N 1.389 2.29 0 C-N-CA 125.032 1.333 . . . . 0.0 112.939 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 15.0 m -72.09 -43.69 64.42 Favored 'General case' 0 CA--C 1.576 1.95 0 C-N-CA 125.037 1.335 . . . . 0.0 112.393 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.66 -39.26 84.54 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 125.541 1.536 . . . . 0.0 113.302 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 35.9 mt -70.43 -39.31 76.22 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.025 0 C-N-CA 125.413 1.485 . . . . 0.0 110.582 176.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.25 -41.17 97.08 Favored 'General case' 0 C--N 1.392 2.446 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.56 -40.53 84.94 Favored 'General case' 0 N--CA 1.514 2.744 0 C-N-CA 124.777 1.231 . . . . 0.0 113.623 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.3 p -70.33 -34.43 72.67 Favored 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 124.282 1.033 . . . . 0.0 112.667 178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.72 -29.74 62.43 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 124.424 1.09 . . . . 0.0 112.61 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.72 -38.68 83.9 Favored 'General case' 0 N--CA 1.514 2.742 0 C-N-CA 124.601 1.16 . . . . 0.0 113.461 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.34 -32.55 70.32 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 124.997 1.319 . . . . 0.0 110.838 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.12 -29.37 60.54 Favored 'General case' 0 C--N 1.384 2.103 0 C-N-CA 125.101 1.361 . . . . 0.0 111.978 177.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -71.97 -31.85 66.69 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 125.736 1.614 . . . . 0.0 112.996 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -76.7 -16.97 59.37 Favored 'General case' 0 C--N 1.384 2.079 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 -177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.74 -1.62 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 CA-C-O 121.839 0.828 . . . . 0.0 109.903 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 17.2 m -97.93 -12.89 21.55 Favored 'General case' 0 CA--C 1.578 2.041 0 C-N-CA 126.343 1.857 . . . . 0.0 110.668 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 . . . . . 0 C--O 1.26 1.611 0 C-N-CA 124.075 0.95 . . . . 0.0 111.221 -176.024 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtt . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 121.02 0.438 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -116.01 119.64 36.55 Favored 'General case' 0 N--CA 1.495 1.807 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.872 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.26 -52.48 0.04 OUTLIER Pre-proline 0 CA--C 1.584 2.274 0 CA-C-O 116.385 -1.769 . . . . 0.0 111.476 178.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -65.74 -18.67 58.79 Favored 'Trans proline' 1 C--N 1.455 6.172 0 C-N-CA 123.384 2.722 . . . . 0.0 116.629 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.23 -34.73 20.36 Favored 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 124.076 0.951 . . . . 0.0 111.405 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.57 -37.73 49.95 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 125.029 1.332 . . . . 0.0 112.125 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.38 -30.61 67.56 Favored 'General case' 0 C--N 1.382 2.007 0 C-N-CA 124.255 1.022 . . . . 0.0 109.803 177.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -66.44 -38.41 87.33 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 124.524 1.14 . . . . 0.0 111.506 176.075 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.2 m -71.44 -41.13 69.86 Favored 'General case' 0 C--N 1.386 2.165 0 C-N-CA 123.926 0.89 . . . . 0.0 110.819 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 mt -58.84 -43.75 90.77 Favored 'General case' 0 C--N 1.388 2.266 0 O-C-N 124.422 1.076 . . . . 0.0 112.088 173.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -65.98 -39.62 90.53 Favored 'General case' 0 C--N 1.401 2.809 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 m -69.28 -38.1 78.2 Favored 'General case' 0 C--N 1.376 1.744 0 CA-C-O 117.5 -1.238 . . . . 0.0 110.307 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.5 -29.02 70.35 Favored 'General case' 0 N--CA 1.507 2.389 0 C-N-CA 123.823 0.849 . . . . 0.0 111.756 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.9 t -76.12 -45.69 35.43 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.352 0 C-N-CA 125.633 1.573 . . . . 0.0 110.843 177.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.65 -29.66 67.17 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 123.543 0.737 . . . . 0.0 111.228 175.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.44 91.14 Favored 'General case' 0 N--CA 1.51 2.559 0 C-N-CA 125.855 1.662 . . . . 0.0 110.245 171.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.51 -35.46 70.73 Favored 'General case' 0 C--N 1.382 1.98 0 C-N-CA 124.737 1.215 . . . . 0.0 110.745 177.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -59.82 -43.15 94.69 Favored 'General case' 0 N--CA 1.503 2.214 0 C-N-CA 127.198 2.199 . . . . 0.0 111.837 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.13 -14.07 59.35 Favored 'General case' 0 N--CA 1.504 2.268 0 C-N-CA 125.094 1.358 . . . . 0.0 114.19 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -97.6 -18.17 19.09 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.848 1.259 . . . . 0.0 109.023 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.18 15.9 8.06 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.696 0 C-N-CA 126.769 2.028 . . . . 0.0 111.046 176.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.5 -81.13 0.14 Allowed Glycine 0 N--CA 1.495 2.584 0 CA-C-O 116.391 -2.339 . . . . 0.0 114.046 -172.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.24 -3.28 9.6 Favored 'Trans proline' 1 C--N 1.423 4.497 0 CA-C-N 122.461 3.131 . . . . 0.0 114.869 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.27 -8.05 55.82 Favored 'General case' 0 C--N 1.382 2.015 0 C-N-CA 126.484 1.914 . . . . 0.0 112.772 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.75 -45.61 93.17 Favored 'General case' 0 N--CA 1.499 2.022 0 C-N-CA 126.764 2.026 . . . . 0.0 116.391 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.3 m -93.17 -32.06 14.54 Favored 'General case' 0 C--N 1.38 1.929 0 C-N-CA 123.92 0.888 . . . . 0.0 110.704 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -121.91 111.44 17.08 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-N 113.471 -1.695 . . . . 0.0 111.841 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -83.85 127.1 33.59 Favored 'General case' 0 N--CA 1.507 2.411 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -119.42 -121.02 0.3 Allowed 'General case' 0 CA--C 1.575 1.927 0 C-N-CA 123.984 0.914 . . . . 0.0 111.277 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -133.77 94.74 3.33 Favored 'General case' 0 C--N 1.388 2.259 0 CA-C-N 119.517 1.053 . . . . 0.0 112.461 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.0 m -116.38 120.78 34.34 Favored Pre-proline 0 C--N 1.38 1.92 0 CA-C-N 118.852 0.751 . . . . 0.0 110.846 175.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -62.21 -26.31 77.51 Favored 'Trans proline' 1 C--N 1.434 5.059 0 C-N-CA 123.892 3.061 . . . . 0.0 115.7 178.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -106.34 26.13 10.23 Favored 'General case' 0 CA--C 1.579 2.069 0 C-N-CA 124.893 1.277 . . . . 0.0 112.992 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.66 105.87 3.85 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.44 92.97 3.67 Favored 'General case' 0 C--N 1.373 1.596 0 CA-C-O 121.837 0.827 . . . . 0.0 110.087 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -85.06 -0.86 55.85 Favored 'General case' 0 N--CA 1.5 2.065 0 CA-C-N 113.989 -1.46 . . . . 0.0 113.881 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -80.62 -21.68 41.29 Favored 'General case' 0 N--CA 1.498 1.957 0 C-N-CA 124.277 1.031 . . . . 0.0 111.756 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 mt -90.62 -3.09 57.79 Favored 'General case' 0 C--N 1.384 2.096 0 C-N-CA 124.687 1.195 . . . . 0.0 112.13 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -122.35 156.85 33.07 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 124.506 1.123 . . . . 0.0 112.953 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.22 113.05 18.41 Favored 'General case' 0 C--N 1.376 1.746 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 t -135.84 158.97 43.1 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.69 178.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -106.55 48.5 0.84 Allowed 'General case' 0 N--CA 1.499 1.982 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.34 -69.79 0.47 Allowed Glycine 0 N--CA 1.489 2.224 0 N-CA-C 118.168 2.027 . . . . 0.0 118.168 170.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -175.21 63.91 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 119.056 1.428 . . . . 0.0 109.78 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -141.58 137.96 32.3 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.06 -23.58 62.17 Favored 'General case' 0 N--CA 1.525 3.291 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 171.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.1 -36.96 93.7 Favored Glycine 0 C--N 1.381 3.081 0 C-N-CA 125.353 1.454 . . . . 0.0 114.422 176.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.66 -23.04 42.79 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 123.754 0.821 . . . . 0.0 112.547 -177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -81.37 -29.69 33.94 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.77 -38.21 58.56 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 124.931 1.292 . . . . 0.0 112.933 178.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.8 -35.88 72.74 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 125.49 1.516 . . . . 0.0 112.492 178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -78.79 -29.36 44.88 Favored 'General case' 0 C--N 1.377 1.795 0 C-N-CA 123.754 0.822 . . . . 0.0 110.437 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.48 -37.56 65.7 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.771 -1.559 . . . . 0.0 111.342 176.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -65.0 -41.52 95.32 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 125.186 1.394 . . . . 0.0 110.412 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.79 -39.8 72.95 Favored 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 125.719 1.608 . . . . 0.0 112.016 178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 59.8 m -63.14 -37.65 88.04 Favored 'General case' 0 N--CA 1.513 2.705 0 C-N-CA 124.421 1.089 . . . . 0.0 113.674 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.7 tp -70.19 -40.87 74.36 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 124.753 1.221 . . . . 0.0 110.944 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.5 p -71.55 -29.59 64.92 Favored 'General case' 0 N--CA 1.507 2.408 0 C-N-CA 125.372 1.469 . . . . 0.0 113.407 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -76.93 -39.28 51.29 Favored 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 123.882 0.873 . . . . 0.0 113.068 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.03 -35.68 78.68 Favored 'General case' 0 N--CA 1.507 2.379 0 C-N-CA 124.923 1.289 . . . . 0.0 111.744 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -34.98 78.93 Favored 'General case' 0 C--N 1.386 2.189 0 C-N-CA 126.456 1.903 . . . . 0.0 112.143 176.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.15 -40.76 94.8 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 124.2 1.0 . . . . 0.0 112.111 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.8 -27.83 68.55 Favored 'General case' 0 C--N 1.393 2.498 0 C-N-CA 124.973 1.309 . . . . 0.0 113.244 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.2 t -64.32 -38.89 83.69 Favored 'Isoleucine or valine' 0 C--N 1.379 1.886 0 C-N-CA 125.31 1.444 . . . . 0.0 108.866 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -69.39 -12.24 61.49 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 125.854 1.662 . . . . 0.0 112.444 174.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -84.1 -38.99 20.07 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 171.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.06 32.19 2.27 Favored Glycine 0 C--N 1.379 2.963 0 N-CA-C 116.546 1.379 . . . . 0.0 116.546 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.24 108.61 20.21 Favored 'General case' 0 C--N 1.373 1.588 0 CA-C-O 121.772 0.796 . . . . 0.0 109.126 177.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.64 -23.39 61.68 Favored 'General case' 0 N--CA 1.5 2.038 0 CA-C-N 113.531 -1.668 . . . . 0.0 112.462 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 47.6 m -71.06 -37.38 72.49 Favored 'General case' 0 CA--C 1.573 1.853 0 C-N-CA 125.06 1.344 . . . . 0.0 110.39 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.96 -22.56 58.49 Favored 'General case' 0 C--N 1.392 2.434 0 C-N-CA 124.341 1.056 . . . . 0.0 112.165 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.91 -49.26 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 C-N-CA 126.447 1.899 . . . . 0.0 109.864 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.79 -37.15 81.64 Favored 'General case' 0 C--N 1.383 2.045 0 C-N-CA 127.074 2.15 . . . . 0.0 112.344 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.84 -45.62 91.74 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 125.575 1.55 . . . . 0.0 108.962 172.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.95 -40.18 95.83 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 124.763 1.29 . . . . 0.0 111.305 175.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.93 -41.19 95.75 Favored 'General case' 0 N--CA 1.511 2.624 0 C-N-CA 124.944 1.298 . . . . 0.0 112.607 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.98 -38.04 75.92 Favored 'General case' 0 N--CA 1.519 3.013 0 C-N-CA 126.096 1.759 . . . . 0.0 111.221 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -28.9 64.12 Favored 'General case' 0 N--CA 1.499 1.996 0 C-N-CA 125.484 1.514 . . . . 0.0 110.571 173.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.15 -45.56 66.52 Favored 'General case' 0 C--N 1.379 1.851 0 C-N-CA 124.192 0.997 . . . . 0.0 111.443 178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.45 -40.25 81.18 Favored 'General case' 0 C--N 1.388 2.264 0 C-N-CA 125.369 1.468 . . . . 0.0 112.752 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.405 ' HB2' HE21 ' A' ' 8' ' ' GLN . . . -66.65 -37.28 84.48 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 125.928 1.691 . . . . 0.0 111.89 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -73.59 -27.12 61.13 Favored 'General case' 0 C--N 1.374 1.649 0 C-N-CA 123.883 0.873 . . . . 0.0 112.369 176.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 33.2 mt -63.07 -46.35 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 175.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -67.37 -46.68 72.61 Favored 'General case' 0 N--CA 1.502 2.143 0 C-N-CA 124.718 1.207 . . . . 0.0 112.497 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.04 -44.17 61.11 Favored 'General case' 0 C--N 1.376 1.75 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.1 mt -85.88 -45.93 11.08 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -175.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 50.7 mt-30 -65.92 -36.89 84.61 Favored 'General case' 0 N--CA 1.507 2.376 0 O-C-N 124.047 0.842 . . . . 0.0 113.026 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -76.0 -38.85 56.87 Favored 'General case' 0 CA--C 1.588 2.411 0 C-N-CA 124.556 1.142 . . . . 0.0 113.771 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -77.19 -26.14 52.55 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-N 119.534 1.061 . . . . 0.0 109.519 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.51 -23.83 46.12 Favored 'General case' 0 C--N 1.385 2.117 0 C-N-CA 125.776 1.63 . . . . 0.0 110.451 174.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.11 -42.44 96.89 Favored 'General case' 0 C--N 1.413 3.341 0 C-N-CA 123.693 0.797 . . . . 0.0 112.957 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -77.79 -29.38 50.78 Favored 'General case' 0 C--N 1.391 2.411 0 C-N-CA 124.58 1.152 . . . . 0.0 111.174 175.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.88 -25.49 56.97 Favored 'General case' 0 C--N 1.389 2.291 0 C-N-CA 123.978 0.911 . . . . 0.0 113.033 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -57.64 -17.67 15.98 Favored 'General case' 0 C--N 1.415 3.444 0 C-N-CA 126.007 1.723 . . . . 0.0 113.078 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.417 ' C ' ' H ' ' A' ' 97' ' ' ARG . 0.3 OUTLIER -58.57 -0.76 0.11 Allowed 'General case' 0 N--CA 1.526 3.333 0 C-N-CA 127.116 2.166 . . . . 0.0 114.442 174.489 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -67.76 27.06 0.02 OUTLIER 'General case' 0 N--CA 1.523 3.185 0 C-N-CA 127.993 2.517 . . . . 0.0 113.806 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.417 ' H ' ' C ' ' A' ' 95' ' ' LEU . 36.2 ptt180 -113.73 -31.56 6.42 Favored 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 128.219 2.608 . . . . 0.0 112.958 -177.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.14 -74.35 0.38 Allowed 'General case' 0 C--N 1.378 1.845 0 N-CA-C 115.66 1.726 . . . . 0.0 115.66 -173.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -141.3 -99.55 0.14 Allowed 'General case' 0 N--CA 1.524 3.26 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -177.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -63.17 -20.9 65.82 Favored 'General case' 0 N--CA 1.515 2.792 0 C-N-CA 126.358 1.863 . . . . 0.0 115.469 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.42 -28.54 46.77 Favored 'General case' 0 CA--C 1.57 1.723 0 C-N-CA 125.715 1.606 . . . . 0.0 112.826 177.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -65.97 -54.21 29.09 Favored 'General case' 0 N--CA 1.51 2.553 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 -178.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.2 mt -62.09 -40.97 72.9 Favored Pre-proline 0 C--N 1.384 2.08 0 N-CA-C 120.767 3.617 . . . . 0.0 120.767 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -65.17 -31.88 53.27 Favored 'Trans proline' 1 C--N 1.444 5.577 0 CA-C-N 125.62 3.043 . . . . 0.0 114.154 -176.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.4 -121.77 4.84 Favored Glycine 0 C--N 1.368 2.345 0 O-C-N 125.56 1.787 . . . . 0.0 111.901 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.28 -58.29 1.17 Allowed Glycine 0 N--CA 1.482 1.766 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -95.89 -26.92 15.42 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 126.314 1.846 . . . . 0.0 110.218 175.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 64.0 mt -71.48 -35.4 70.79 Favored 'General case' 0 C--N 1.391 2.412 0 C-N-CA 124.701 1.2 . . . . 0.0 113.052 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -68.64 -34.3 75.48 Favored 'General case' 0 C--N 1.381 1.936 0 C-N-CA 125.237 1.415 . . . . 0.0 111.401 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -65.15 -36.03 82.96 Favored 'General case' 0 C--N 1.387 2.21 0 C-N-CA 125.497 1.519 . . . . 0.0 110.796 173.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.482 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -72.1 -50.35 28.78 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 123.814 0.845 . . . . 0.0 110.82 175.53 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.39 -62.04 1.85 Allowed 'General case' 0 CA--C 1.596 2.723 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.53 -43.47 20.67 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 117.032 2.234 . . . . 0.0 117.032 -176.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 38.1 mt-10 -71.54 -33.62 69.31 Favored 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -178.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 7.4 m-85 -68.41 -38.92 81.73 Favored 'General case' 0 C--N 1.39 2.345 0 CA-C-O 118.573 -0.727 . . . . 0.0 111.783 177.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -64.32 -38.48 91.2 Favored 'General case' 0 C--N 1.395 2.561 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -67.13 -42.32 84.62 Favored 'General case' 0 N--CA 1.516 2.866 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -70.61 -35.11 72.8 Favored 'General case' 0 N--CA 1.506 2.334 0 C-N-CA 124.243 1.017 . . . . 0.0 112.116 178.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 31.9 mt-10 -67.95 -35.71 78.86 Favored 'General case' 0 C--N 1.382 2.02 0 C-N-CA 125.168 1.387 . . . . 0.0 111.784 176.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -59.69 -50.22 74.68 Favored 'General case' 0 C--N 1.39 2.361 0 C-N-CA 125.918 1.687 . . . . 0.0 114.571 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -72.36 -39.96 67.68 Favored 'General case' 0 N--CA 1.507 2.387 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 152' ' ' LEU . 20.1 mt -61.28 -33.46 73.58 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 123.671 0.607 . . . . 0.0 110.555 175.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -70.58 -35.24 72.93 Favored 'General case' 0 C--N 1.377 1.794 0 C-N-CA 125.225 1.41 . . . . 0.0 111.955 176.183 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.1 -39.61 90.1 Favored 'General case' 0 C--N 1.408 3.148 0 C-N-CA 125.582 1.553 . . . . 0.0 112.547 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 59.7 mtt -64.47 -39.58 94.08 Favored 'General case' 0 C--N 1.386 2.183 0 O-C-N 124.817 1.323 . . . . 0.0 110.67 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -68.87 -38.93 80.03 Favored 'General case' 0 C--N 1.383 2.055 0 C-N-CA 125.017 1.327 . . . . 0.0 110.534 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -66.49 -35.71 80.94 Favored 'General case' 0 C--N 1.399 2.746 0 C-N-CA 124.962 1.305 . . . . 0.0 114.505 -178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.45 -39.76 85.36 Favored 'General case' 0 N--CA 1.507 2.411 0 C-N-CA 124.373 1.069 . . . . 0.0 110.923 176.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -75.74 -23.78 56.04 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 124.606 1.162 . . . . 0.0 112.647 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -69.15 -36.86 77.87 Favored 'General case' 0 N--CA 1.516 2.826 0 C-N-CA 125.195 1.398 . . . . 0.0 111.21 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -67.2 -38.67 85.72 Favored 'General case' 0 C--N 1.384 2.097 0 C-N-CA 124.9 1.28 . . . . 0.0 110.712 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.93 -36.41 75.3 Favored 'General case' 0 C--N 1.391 2.379 0 C-N-CA 124.864 1.266 . . . . 0.0 111.858 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -70.14 -34.52 73.16 Favored 'General case' 0 C--N 1.389 2.321 0 C-N-CA 125.066 1.347 . . . . 0.0 111.757 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.42 -38.34 89.63 Favored 'General case' 0 CA--C 1.572 1.811 0 C-N-CA 125.22 1.408 . . . . 0.0 113.273 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -90.82 -38.9 12.67 Favored 'General case' 0 C--N 1.387 2.199 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -106.83 -29.98 9.18 Favored 'General case' 0 C--N 1.394 2.532 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -175.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 55.99 26.17 9.64 Favored 'General case' 0 N--CA 1.531 3.621 0 C-N-CA 127.519 2.328 . . . . 0.0 116.569 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.17 137.92 60.62 Favored Pre-proline 0 N--CA 1.503 2.182 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_exo -56.74 -14.88 14.67 Favored 'Trans proline' 1 C--N 1.438 5.283 0 C-N-CA 124.808 3.672 . . . . 0.0 116.748 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -68.73 -37.76 79.68 Favored 'General case' 0 N--CA 1.527 3.413 0 C-N-CA 124.396 1.078 . . . . 0.0 113.273 -177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.505 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -77.83 -29.68 50.68 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 126.692 1.997 . . . . 0.0 109.988 -179.343 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.42 -37.02 77.24 Favored 'General case' 0 C--N 1.375 1.716 0 C-N-CA 126.779 2.032 . . . . 0.0 110.394 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.64 -33.18 70.71 Favored 'General case' 0 C--N 1.381 1.937 0 C-N-CA 124.112 0.965 . . . . 0.0 110.738 173.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.33 -42.58 65.22 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 125.085 1.354 . . . . 0.0 114.007 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 6.6 mt -66.35 -43.18 91.51 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.233 0 C-N-CA 125.274 1.429 . . . . 0.0 109.069 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.3 m -62.59 -42.49 99.59 Favored 'General case' 0 CA--C 1.588 2.417 0 C-N-CA 126.059 1.744 . . . . 0.0 111.558 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.01 95.98 Favored 'General case' 0 N--CA 1.512 2.65 0 C-N-CA 124.576 1.15 . . . . 0.0 112.492 175.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 21.8 mt -73.53 -27.6 61.44 Favored 'General case' 0 C--N 1.38 1.912 0 C-N-CA 125.061 1.345 . . . . 0.0 111.974 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -37.91 88.36 Favored 'General case' 0 C--N 1.39 2.344 0 C-N-CA 126.22 1.808 . . . . 0.0 112.439 177.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -75.18 -34.87 61.59 Favored 'General case' 0 C--N 1.39 2.363 0 C-N-CA 125.139 1.376 . . . . 0.0 109.954 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -70.46 -34.98 73.04 Favored 'General case' 0 C--N 1.386 2.179 0 C-N-CA 125.626 1.57 . . . . 0.0 112.613 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.7 OUTLIER -64.46 -38.7 91.93 Favored 'General case' 0 C--N 1.381 1.961 0 C-N-CA 124.332 1.053 . . . . 0.0 109.999 174.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.7 p -77.36 -39.04 48.85 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 123.94 0.775 . . . . 0.0 112.814 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -70.69 -37.56 73.61 Favored 'General case' 0 N--CA 1.514 2.74 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 88.8 m -71.52 -38.38 71.1 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 123.767 0.827 . . . . 0.0 111.65 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -64.0 -38.13 89.96 Favored 'General case' 0 C--N 1.391 2.388 0 C-N-CA 125.294 1.437 . . . . 0.0 113.369 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 27.5 m -67.68 -40.63 84.42 Favored 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 125.263 1.425 . . . . 0.0 110.235 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.89 -37.88 79.3 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 125.963 1.705 . . . . 0.0 112.589 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 13.0 mt -70.24 -40.01 77.49 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.863 0 C-N-CA 126.291 1.837 . . . . 0.0 110.62 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.0 98.87 Favored 'General case' 0 C--N 1.389 2.308 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 177.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.39 -41.28 66.47 Favored 'General case' 0 N--CA 1.507 2.424 0 C-N-CA 124.553 1.141 . . . . 0.0 114.078 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.7 p -72.15 -38.57 69.17 Favored 'General case' 0 N--CA 1.509 2.499 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -74.34 -36.18 63.64 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 123.824 0.85 . . . . 0.0 113.189 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -68.17 -38.53 82.18 Favored 'General case' 0 N--CA 1.51 2.53 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.493 ' O ' HG13 ' A' ' 169' ' ' ILE . . . -71.1 -37.19 72.39 Favored 'General case' 0 C--N 1.374 1.638 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.811 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.12 -33.84 68.13 Favored 'General case' 0 C--N 1.389 2.302 0 C-N-CA 125.567 1.547 . . . . 0.0 112.735 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -74.15 -23.61 59.29 Favored 'General case' 0 C--N 1.375 1.699 0 C-N-CA 124.651 1.18 . . . . 0.0 112.887 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.77 -19.73 28.65 Favored 'General case' 0 C--N 1.381 1.964 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -178.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 165' ' ' ALA . 0.3 OUTLIER -113.09 19.81 6.93 Favored 'Isoleucine or valine' 0 C--N 1.378 1.841 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 -177.194 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 55.6 m -55.79 -40.71 73.05 Favored 'General case' 0 C--N 1.377 1.777 0 CA-C-N 113.567 -1.651 . . . . 0.0 108.474 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 . . . . . 0 N--CA 1.495 1.793 0 CA-C-N 112.896 -1.957 . . . . 0.0 111.462 178.238 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtt . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.085 0.469 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -114.99 129.7 56.77 Favored 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 124.133 0.973 . . . . 0.0 110.989 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 p -120.87 114.02 32.7 Favored Pre-proline 0 CA--C 1.576 1.976 0 C-N-CA 123.862 0.865 . . . . 0.0 111.394 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -63.86 113.77 2.31 Favored 'Trans proline' 1 C--N 1.435 5.108 0 C-N-CA 123.231 2.621 . . . . 0.0 114.462 178.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.63 -44.55 6.4 Favored 'General case' 0 N--CA 1.503 2.184 0 C-N-CA 123.586 0.754 . . . . 0.0 112.092 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -36.8 57.61 Favored 'General case' 0 C--N 1.375 1.713 0 C-N-CA 125.057 1.343 . . . . 0.0 112.203 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.32 -31.46 68.78 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 124.441 1.096 . . . . 0.0 110.524 178.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -69.43 -35.69 75.94 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 124.361 1.038 . . . . 0.0 111.394 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -72.36 -40.97 66.94 Favored 'General case' 0 C--N 1.387 2.235 0 C-N-CA 124.108 0.963 . . . . 0.0 111.015 176.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.8 -44.41 86.28 Favored 'General case' 0 C--N 1.392 2.419 0 O-C-N 124.344 1.028 . . . . 0.0 111.965 173.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -65.57 -39.07 91.25 Favored 'General case' 0 C--N 1.396 2.612 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.5 m -68.89 -38.79 79.86 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.744 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.7 -30.6 71.53 Favored 'General case' 0 N--CA 1.509 2.487 0 C-N-CA 124.704 1.202 . . . . 0.0 111.986 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.8 t -75.26 -46.16 39.36 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.272 0 C-N-CA 125.251 1.42 . . . . 0.0 110.415 177.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB1' HD21 ' A' ' 86' ' ' LEU . . . -69.14 -30.68 68.98 Favored 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 123.755 0.822 . . . . 0.0 111.453 175.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.421 ' O ' HD23 ' A' ' 20' ' ' LEU . . . -64.63 -42.75 95.27 Favored 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 125.49 1.516 . . . . 0.0 110.427 172.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.11 -35.42 74.12 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 124.208 1.003 . . . . 0.0 110.637 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -61.04 -39.6 90.42 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 127.543 2.337 . . . . 0.0 111.977 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.84 -15.96 59.57 Favored 'General case' 0 N--CA 1.507 2.414 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 176.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 16' ' ' ALA . 3.0 mm? -97.52 -19.04 18.63 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 124.956 1.302 . . . . 0.0 110.168 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.17 10.41 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 C-N-CA 126.976 2.11 . . . . 0.0 113.456 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.32 -75.55 1.2 Allowed Glycine 0 N--CA 1.488 2.112 0 CA-C-O 117.098 -1.946 . . . . 0.0 113.99 -171.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -60.2 -19.02 55.13 Favored 'Trans proline' 1 C--N 1.42 4.313 0 CA-C-N 121.068 2.434 . . . . 0.0 114.471 176.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mp -72.35 -38.82 68.48 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 124.775 1.23 . . . . 0.0 112.993 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.79 -8.21 59.67 Favored 'General case' 0 C--N 1.393 2.491 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.32 -28.72 22.08 Favored 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 123.249 0.62 . . . . 0.0 111.084 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -113.85 179.97 3.8 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 126.092 1.757 . . . . 0.0 110.606 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -91.88 98.78 11.8 Favored 'General case' 0 N--CA 1.498 1.965 0 C-N-CA 123.552 0.741 . . . . 0.0 110.473 178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -126.7 151.88 47.54 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 114.528 -1.214 . . . . 0.0 112.409 -178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -98.81 87.0 3.64 Favored 'General case' 0 CA--C 1.58 2.103 0 C-N-CA 124.957 1.303 . . . . 0.0 110.95 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 t -111.75 106.09 56.61 Favored Pre-proline 0 CA--C 1.582 2.182 0 O-C-N 121.5 -0.75 . . . . 0.0 112.352 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -79.18 -6.45 14.86 Favored 'Trans proline' 1 C--N 1.432 4.954 0 C-N-CA 123.632 2.888 . . . . 0.0 115.515 174.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -101.33 20.35 16.03 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 124.891 1.276 . . . . 0.0 112.537 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -79.06 111.59 15.42 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.57 93.09 8.72 Favored 'General case' 0 C--N 1.371 1.535 0 CA-C-O 122.361 1.076 . . . . 0.0 110.345 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -82.24 -14.52 55.38 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 112.933 -1.94 . . . . 0.0 113.915 -176.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -81.31 -28.33 34.65 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 123.455 0.702 . . . . 0.0 111.584 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 mt -98.03 -1.04 43.47 Favored 'General case' 0 C--N 1.385 2.146 0 C-N-CA 124.071 0.948 . . . . 0.0 112.451 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -120.56 153.94 36.06 Favored 'General case' 0 C--N 1.38 1.894 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.37 112.82 18.56 Favored 'General case' 0 C--N 1.379 1.876 0 N-CA-C 106.217 -1.771 . . . . 0.0 106.217 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.3 t -134.58 158.47 43.93 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.148 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.5 mtt180 -111.81 22.29 15.1 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 124.398 1.079 . . . . 0.0 112.924 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.28 85.89 0.63 Allowed Glycine 0 C--N 1.362 1.972 0 CA-C-O 117.528 -1.707 . . . . 0.0 117.222 177.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 27.59 59.76 0.1 Allowed 'General case' 0 N--CA 1.531 3.586 0 N-CA-C 117.282 2.327 . . . . 0.0 117.282 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -131.79 133.5 44.79 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.83 -27.62 63.03 Favored 'General case' 0 N--CA 1.512 2.674 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 170.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.63 -36.93 93.39 Favored Glycine 0 C--N 1.385 3.27 0 CA-C-N 113.924 -1.489 . . . . 0.0 114.418 176.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.98 -25.81 40.2 Favored 'General case' 0 C--N 1.395 2.57 0 C-N-CA 123.206 0.602 . . . . 0.0 112.043 -177.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -81.93 -29.64 32.19 Favored 'General case' 0 N--CA 1.505 2.315 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.385 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.14 -35.77 61.62 Favored 'General case' 0 C--N 1.372 1.58 0 C-N-CA 124.794 1.238 . . . . 0.0 111.876 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -30.37 67.65 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 125.362 1.465 . . . . 0.0 111.393 177.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.39 -31.25 37.81 Favored 'General case' 0 C--N 1.382 2.008 0 C-N-CA 123.659 0.784 . . . . 0.0 109.13 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.32 -40.48 64.44 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 114.208 -1.36 . . . . 0.0 112.256 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.54 -35.48 75.47 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 124.792 1.237 . . . . 0.0 110.911 175.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -73.26 -26.64 61.19 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 125.88 1.672 . . . . 0.0 112.493 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 51.2 m -78.39 -28.41 46.98 Favored 'General case' 0 C--N 1.386 2.187 0 C-N-CA 123.723 0.809 . . . . 0.0 110.553 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.4 -40.99 66.76 Favored 'General case' 0 C--N 1.385 2.109 0 C-N-CA 124.184 0.994 . . . . 0.0 110.888 176.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.5 p -70.93 -32.13 68.95 Favored 'General case' 0 N--CA 1.502 2.162 0 C-N-CA 125.809 1.644 . . . . 0.0 113.943 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -76.94 -40.59 46.54 Favored 'General case' 0 N--CA 1.513 2.714 0 CA-C-N 118.961 0.8 . . . . 0.0 112.942 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.69 -31.76 71.1 Favored 'General case' 0 C--N 1.39 2.342 0 C-N-CA 124.739 1.215 . . . . 0.0 111.43 177.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.414 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 0.4 OUTLIER -66.21 -33.53 75.96 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 126.188 1.795 . . . . 0.0 111.45 175.791 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.15 90.02 Favored 'General case' 0 C--N 1.391 2.393 0 O-C-N 124.111 0.882 . . . . 0.0 112.591 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.09 -29.85 66.93 Favored 'General case' 0 C--N 1.391 2.407 0 C-N-CA 123.62 0.768 . . . . 0.0 112.26 173.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 59.4 t -60.49 -40.26 83.76 Favored 'Isoleucine or valine' 0 C--N 1.389 2.283 0 C-N-CA 125.804 1.641 . . . . 0.0 109.376 175.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -52.36 -33.22 42.02 Favored 'General case' 0 C--N 1.394 2.538 0 O-C-N 125.195 1.56 . . . . 0.0 113.285 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -70.19 -37.9 75.22 Favored 'General case' 0 C--N 1.401 2.829 0 C-N-CA 125.379 1.472 . . . . 0.0 112.447 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.77 35.09 2.09 Favored Glycine 0 C--N 1.372 2.562 0 N-CA-C 115.793 1.077 . . . . 0.0 115.793 175.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.7 113.35 25.42 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-O 121.805 0.812 . . . . 0.0 109.153 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.51 -29.17 65.6 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 113.135 -1.848 . . . . 0.0 113.203 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.9 m -71.75 -38.01 70.46 Favored 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 124.851 1.26 . . . . 0.0 111.265 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -75.32 -22.66 57.48 Favored 'General case' 0 N--CA 1.507 2.424 0 C-N-CA 123.734 0.814 . . . . 0.0 112.306 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.0 t -76.6 -47.69 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 C-N-CA 126.183 1.793 . . . . 0.0 109.861 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.73 -37.46 82.21 Favored 'General case' 0 C--N 1.386 2.169 0 C-N-CA 127.319 2.248 . . . . 0.0 112.636 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -41.47 97.27 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 126.15 1.78 . . . . 0.0 110.127 173.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tt -72.85 -37.85 67.25 Favored 'General case' 0 CA--C 1.573 1.83 0 C-N-CA 124.849 1.26 . . . . 0.0 109.729 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.27 99.24 Favored 'General case' 0 N--CA 1.515 2.778 0 C-N-CA 124.641 1.176 . . . . 0.0 112.257 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -72.17 -37.07 69.42 Favored 'General case' 0 N--CA 1.515 2.792 0 C-N-CA 126.204 1.802 . . . . 0.0 111.506 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -71.34 -30.33 66.06 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 125.078 1.351 . . . . 0.0 110.578 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.06 -43.22 65.26 Favored 'General case' 0 C--N 1.374 1.662 0 C-N-CA 124.496 1.118 . . . . 0.0 112.522 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.26 -40.57 81.87 Favored 'General case' 0 C--N 1.387 2.224 0 C-N-CA 124.891 1.276 . . . . 0.0 112.524 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.39 -37.78 83.65 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 126.404 1.882 . . . . 0.0 112.177 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -73.36 -27.81 61.69 Favored 'General case' 0 C--N 1.374 1.659 0 C-N-CA 123.889 0.876 . . . . 0.0 112.413 176.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.559 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 27.4 mt -62.22 -46.26 96.86 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.529 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.3 mt-10 -66.15 -45.04 82.38 Favored 'General case' 0 N--CA 1.506 2.337 0 C-N-CA 124.799 1.24 . . . . 0.0 112.377 -179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.34 -44.71 58.3 Favored 'General case' 0 C--N 1.377 1.78 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -177.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.47 HD13 HE22 ' A' ' 116' ' ' GLN . 72.7 mt -86.21 -43.21 13.17 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -175.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 18.6 mt-30 -67.77 -38.17 83.04 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 123.819 0.7 . . . . 0.0 111.964 178.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 7.3 mtt180 -79.17 -38.29 36.28 Favored 'General case' 0 C--N 1.388 2.282 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -72.4 -31.7 65.76 Favored 'General case' 0 N--CA 1.514 2.755 0 CA-C-N 119.316 0.962 . . . . 0.0 110.311 178.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.3 -29.21 60.01 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 124.072 0.949 . . . . 0.0 110.306 174.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.43 73.44 Favored 'General case' 0 C--N 1.408 3.11 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.5 p -85.67 -22.4 27.9 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 124.322 1.049 . . . . 0.0 110.737 177.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.01 -28.47 57.79 Favored 'General case' 0 C--N 1.388 2.264 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.495 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 p -77.97 -9.03 58.9 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 125.671 1.589 . . . . 0.0 113.388 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.0 mt -88.83 -30.35 19.01 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -84.18 -15.15 48.07 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 173.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -115.22 40.96 2.54 Favored 'General case' 0 C--N 1.388 2.273 0 C-N-CA 127.068 2.147 . . . . 0.0 113.518 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -125.1 -2.13 7.67 Favored 'General case' 0 CA--C 1.582 2.204 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -90.66 -94.0 0.13 Allowed 'General case' 0 C--N 1.378 1.821 0 CA-C-N 112.07 -2.332 . . . . 0.0 116.56 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -112.48 -23.16 10.44 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 125.173 1.389 . . . . 0.0 109.827 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.53 -13.76 56.08 Favored 'General case' 0 C--N 1.366 1.311 0 CA-C-N 111.995 -2.366 . . . . 0.0 114.793 -175.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -55.69 -40.66 72.67 Favored 'General case' 0 N--CA 1.507 2.395 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 -170.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.86 -52.84 16.3 Favored Pre-proline 0 CA--C 1.593 2.599 0 CA-C-O 116.394 -1.765 . . . . 0.0 113.096 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -82.51 -2.03 10.86 Favored 'Trans proline' 1 C--N 1.448 5.77 0 CA-C-N 123.756 2.377 . . . . 0.0 115.152 173.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -150.1 92.92 0.14 Allowed Glycine 0 C--N 1.36 1.912 0 N-CA-C 108.965 -1.654 . . . . 0.0 108.965 175.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 179.7 -40.21 0.08 OUTLIER Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.066 -1.213 . . . . 0.0 110.066 -175.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -67.64 -40.54 84.57 Favored 'General case' 0 N--CA 1.511 2.606 0 C-N-CA 126.014 1.726 . . . . 0.0 111.569 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.468 ' H ' ' HG ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -74.5 -27.04 60.38 Favored 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 126.182 1.793 . . . . 0.0 112.914 178.489 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -67.22 -35.67 80.08 Favored 'General case' 0 C--N 1.379 1.873 0 C-N-CA 125.536 1.535 . . . . 0.0 110.367 179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.18 -35.79 81.38 Favored 'General case' 0 C--N 1.393 2.46 0 C-N-CA 126.082 1.753 . . . . 0.0 111.052 173.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.702 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -71.46 -44.11 65.39 Favored 'General case' 0 C--N 1.377 1.794 0 C-N-CA 123.63 0.772 . . . . 0.0 110.962 174.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -60.73 3.35 Favored 'General case' 0 CA--C 1.599 2.853 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 177.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.24 -48.02 9.51 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 116.365 1.987 . . . . 0.0 116.365 -175.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 40.7 mt-10 -71.32 -34.98 71.06 Favored 'General case' 0 N--CA 1.512 2.652 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -178.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.702 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 4.1 m-85 -68.57 -38.47 80.76 Favored 'General case' 0 C--N 1.396 2.589 0 CA-C-N 118.768 0.713 . . . . 0.0 111.806 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.47 HE22 HD13 ' A' ' 86' ' ' LEU . 55.0 mt-30 -66.17 -33.94 76.9 Favored 'General case' 0 C--N 1.397 2.649 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.82 -42.3 95.08 Favored 'General case' 0 N--CA 1.518 2.957 0 C-N-CA 124.727 1.211 . . . . 0.0 112.964 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -70.0 -36.25 74.99 Favored 'General case' 0 C--N 1.388 2.246 0 C-N-CA 124.935 1.294 . . . . 0.0 112.257 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -69.09 -35.01 76.0 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 125.09 1.356 . . . . 0.0 111.806 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -62.03 -45.77 92.1 Favored 'General case' 0 C--N 1.39 2.336 0 C-N-CA 125.771 1.628 . . . . 0.0 113.169 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -72.77 -41.29 65.2 Favored 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.76 -33.76 73.44 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 118.283 0.492 . . . . 0.0 110.407 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -32.94 68.58 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 124.984 1.314 . . . . 0.0 112.849 176.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.36 -38.49 87.7 Favored 'General case' 0 C--N 1.399 2.754 0 C-N-CA 124.966 1.307 . . . . 0.0 111.913 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.6 mtt -65.53 -38.66 90.3 Favored 'General case' 0 C--N 1.393 2.472 0 O-C-N 125.307 1.63 . . . . 0.0 110.764 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 71.0 mttt -69.51 -39.39 77.58 Favored 'General case' 0 C--N 1.383 2.054 0 C-N-CA 124.678 1.191 . . . . 0.0 111.211 177.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -74.0 -46.61 42.54 Favored 'General case' 0 N--CA 1.509 2.503 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -177.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.45 -41.36 72.92 Favored 'General case' 0 N--CA 1.51 2.552 0 C-N-CA 124.105 0.962 . . . . 0.0 113.538 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.73 -36.7 76.08 Favored 'General case' 0 C--N 1.382 2.016 0 C-N-CA 124.224 1.01 . . . . 0.0 112.782 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 0.3 OUTLIER -78.23 -21.14 50.4 Favored 'General case' 0 C--N 1.384 2.068 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 179.656 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -74.37 -53.15 10.21 Favored 'General case' 0 C--O 1.273 2.304 0 CA-C-N 118.987 0.812 . . . . 0.0 112.97 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -72.3 -34.3 68.04 Favored 'General case' 0 C--N 1.391 2.376 0 CA-C-N 114.469 -1.242 . . . . 0.0 111.826 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -87.95 -9.96 51.97 Favored 'General case' 0 CA--C 1.577 1.988 0 C-N-CA 124.235 1.014 . . . . 0.0 112.934 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -63.97 -31.08 72.14 Favored 'General case' 0 N--CA 1.523 3.213 0 C-N-CA 124.854 1.262 . . . . 0.0 110.057 174.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -67.74 -14.87 63.31 Favored 'General case' 0 CA--C 1.583 2.248 0 C-N-CA 125.706 1.602 . . . . 0.0 113.691 175.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -96.49 -28.43 14.41 Favored 'General case' 0 C--N 1.393 2.469 0 C-N-CA 124.876 1.271 . . . . 0.0 109.675 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.93 33.68 17.85 Favored 'General case' 0 N--CA 1.522 3.172 0 C-N-CA 128.307 2.643 . . . . 0.0 115.632 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.21 142.7 36.03 Favored Pre-proline 0 CA--C 1.577 2.005 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -65.91 -11.06 29.27 Favored 'Trans proline' 1 C--N 1.425 4.597 0 C-N-CA 123.638 2.892 . . . . 0.0 116.41 177.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -69.85 -33.37 72.18 Favored 'General case' 0 N--CA 1.529 3.487 0 C-N-CA 124.461 1.104 . . . . 0.0 113.903 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.5 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -78.48 -30.35 47.28 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 126.317 1.847 . . . . 0.0 109.998 -178.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.45 70.55 Favored 'General case' 0 C--N 1.381 1.95 0 C-N-CA 124.826 1.25 . . . . 0.0 109.307 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -72.63 -30.87 64.69 Favored 'General case' 0 CA--C 1.58 2.12 0 C-N-CA 124.31 1.044 . . . . 0.0 111.344 173.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -77.24 -44.65 29.13 Favored 'General case' 0 C--N 1.399 2.725 0 C-N-CA 124.908 1.283 . . . . 0.0 113.622 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 1.2 mp -67.9 -42.25 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 C-N-CA 126.659 1.983 . . . . 0.0 111.827 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 36.7 m -62.95 -39.69 95.38 Favored 'General case' 0 CA--C 1.584 2.254 0 C-N-CA 125.712 1.605 . . . . 0.0 110.739 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.67 92.72 Favored 'General case' 0 N--CA 1.509 2.489 0 C-N-CA 124.833 1.253 . . . . 0.0 112.127 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.74 -28.53 62.7 Favored 'General case' 0 C--N 1.384 2.076 0 C-N-CA 125.126 1.371 . . . . 0.0 111.496 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.49 -31.98 69.32 Favored 'General case' 0 C--N 1.393 2.469 0 C-N-CA 126.074 1.75 . . . . 0.0 111.54 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -76.06 -34.69 59.6 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 125.661 1.584 . . . . 0.0 109.659 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 155' ' ' CYS . 24.3 mmt180 -71.81 -33.55 68.62 Favored 'General case' 0 C--N 1.386 2.17 0 C-N-CA 125.446 1.499 . . . . 0.0 112.741 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.1 tt -65.3 -40.75 94.19 Favored 'General case' 0 C--N 1.38 1.9 0 C-N-CA 124.73 1.212 . . . . 0.0 109.781 174.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.4 p -76.12 -38.47 56.81 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 124.079 0.862 . . . . 0.0 112.74 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -74.22 -27.86 60.98 Favored 'General case' 0 N--CA 1.514 2.775 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 151' ' ' ARG . 2.1 t -74.15 -40.01 62.88 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 124.136 0.974 . . . . 0.0 110.783 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -30.85 65.61 Favored 'General case' 0 N--CA 1.504 2.242 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.99 -50.33 13.41 Favored 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.64 -37.03 83.98 Favored 'General case' 0 C--N 1.375 1.717 0 C-N-CA 125.422 1.489 . . . . 0.0 112.877 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 20.2 mt -71.49 -37.28 63.71 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.986 0 C-N-CA 124.724 1.21 . . . . 0.0 111.02 176.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.0 99.63 Favored 'General case' 0 C--N 1.396 2.625 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -72.8 -45.91 56.01 Favored 'General case' 0 N--CA 1.51 2.54 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 21.3 p -74.63 -42.67 58.16 Favored 'General case' 0 N--CA 1.509 2.496 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -74.61 -35.73 62.94 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.88 -32.89 70.01 Favored 'General case' 0 N--CA 1.512 2.641 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.95 -36.05 72.44 Favored 'General case' 0 C--N 1.38 1.904 0 O-C-N 124.517 1.135 . . . . 0.0 110.56 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 10.8 mt -71.96 -36.26 69.79 Favored 'General case' 0 C--N 1.391 2.398 0 C-N-CA 125.515 1.526 . . . . 0.0 111.793 178.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -73.12 -21.55 60.71 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 125.407 1.483 . . . . 0.0 113.363 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.8 -17.83 49.54 Favored 'General case' 0 C--N 1.378 1.82 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.56 20.52 6.73 Favored 'Isoleucine or valine' 0 C--N 1.368 1.407 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 1.5 t -53.36 -30.18 38.23 Favored 'General case' 0 C--N 1.389 2.309 0 C-N-CA 126.283 1.833 . . . . 0.0 111.933 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 . . . . . 0 N--CA 1.494 1.762 0 CA-C-N 112.239 -2.255 . . . . 0.0 111.785 179.384 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 mtt . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 120.753 0.311 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 58.24 74.22 0.44 Allowed 'General case' 0 N--CA 1.531 3.605 0 C-N-CA 127.249 2.22 . . . . 0.0 113.374 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 p -112.47 108.27 54.54 Favored Pre-proline 0 CA--C 1.578 2.027 0 CA-C-N 114.97 -1.014 . . . . 0.0 112.458 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -62.4 114.16 2.24 Favored 'Trans proline' 1 C--N 1.433 4.984 0 C-N-CA 123.81 3.007 . . . . 0.0 114.319 177.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt -98.52 -43.44 6.87 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 123.355 0.662 . . . . 0.0 112.426 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.56 -35.57 58.13 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 125.232 1.413 . . . . 0.0 112.257 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -31.97 68.57 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 124.663 1.185 . . . . 0.0 111.027 178.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -69.04 -37.38 78.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 124.802 1.314 . . . . 0.0 111.683 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.0 m -71.4 -41.21 69.87 Favored 'General case' 0 C--N 1.387 2.212 0 C-N-CA 123.598 0.759 . . . . 0.0 111.023 176.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -57.49 -44.7 85.15 Favored 'General case' 0 C--N 1.39 2.368 0 O-C-N 124.445 1.091 . . . . 0.0 112.277 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -65.37 -40.06 93.08 Favored 'General case' 0 C--N 1.396 2.614 0 N-CA-C 114.949 1.462 . . . . 0.0 114.949 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -69.67 -37.32 76.64 Favored 'General case' 0 C--N 1.377 1.767 0 CA-C-O 117.398 -1.287 . . . . 0.0 110.839 178.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.71 -30.54 71.49 Favored 'General case' 0 N--CA 1.509 2.504 0 C-N-CA 123.934 0.894 . . . . 0.0 111.889 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.0 t -75.58 -46.73 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.421 0 C-N-CA 125.251 1.421 . . . . 0.0 110.912 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.23 -28.07 64.97 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 123.632 0.773 . . . . 0.0 111.581 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.97 94.51 Favored 'General case' 0 N--CA 1.513 2.683 0 C-N-CA 125.974 1.71 . . . . 0.0 110.546 170.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.7 mt -71.65 -34.73 70.0 Favored 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 124.889 1.275 . . . . 0.0 111.299 176.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -61.47 -42.95 99.57 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 126.92 2.088 . . . . 0.0 112.22 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.78 -17.49 47.47 Favored 'General case' 0 N--CA 1.513 2.69 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 178.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mp -94.39 -13.63 26.11 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 126.137 1.775 . . . . 0.0 111.507 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.0 mt -110.01 -22.43 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.586 2.344 0 C-N-CA 124.923 1.289 . . . . 0.0 108.568 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -22.51 -86.05 0.01 OUTLIER Glycine 0 C--N 1.39 3.563 0 C-N-CA 128.48 2.943 . . . . 0.0 118.82 -175.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.47 -15.9 38.45 Favored 'Trans proline' 0 C--N 1.41 3.775 0 CA-C-N 121.448 2.624 . . . . 0.0 117.337 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.76 -41.86 64.62 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 114.228 1.195 . . . . 0.0 114.228 -177.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.41 -13.97 57.66 Favored 'General case' 0 N--CA 1.511 2.597 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.8 m -84.58 -22.33 30.09 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 124.232 1.013 . . . . 0.0 110.598 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -105.22 -13.71 15.61 Favored 'General case' 0 N--CA 1.5 2.054 0 CA-C-N 113.57 -1.65 . . . . 0.0 112.193 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 61.4 76.07 0.38 Allowed 'General case' 0 N--CA 1.526 3.366 0 C-N-CA 127.903 2.481 . . . . 0.0 113.553 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -110.15 -124.84 0.27 Allowed 'General case' 0 CA--C 1.577 1.988 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.014 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -128.52 117.97 22.23 Favored 'General case' 0 C--N 1.383 2.05 0 CA-C-N 119.123 0.874 . . . . 0.0 111.063 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.3 m -116.1 104.83 51.85 Favored Pre-proline 0 C--N 1.387 2.207 0 CA-C-N 119.517 1.053 . . . . 0.0 111.513 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -70.72 -29.41 19.35 Favored 'Trans proline' 1 C--N 1.43 4.816 0 C-N-CA 123.393 2.729 . . . . 0.0 116.367 177.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.0 ttt180 -104.43 28.24 7.12 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 126.617 1.967 . . . . 0.0 114.369 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -75.82 108.36 8.63 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.7 100.55 11.54 Favored 'General case' 0 C--N 1.377 1.795 0 CA-C-N 120.327 1.421 . . . . 0.0 112.766 -176.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -85.19 -3.11 58.7 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-N 112.885 -1.961 . . . . 0.0 113.868 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -80.27 -30.55 38.39 Favored 'General case' 0 C--N 1.377 1.792 0 C-N-CA 122.991 0.517 . . . . 0.0 111.672 -176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.53 -1.29 44.32 Favored 'General case' 0 C--N 1.387 2.228 0 O-C-N 123.793 0.683 . . . . 0.0 112.515 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -120.51 153.97 35.96 Favored 'General case' 0 C--N 1.38 1.927 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.51 105.65 9.56 Favored 'General case' 0 C--N 1.382 2.012 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 173.13 176.38 0.11 Allowed 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 112.968 -1.924 . . . . 0.0 108.908 -178.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -83.77 -38.77 20.89 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.28 83.4 0.06 OUTLIER Glycine 0 N--CA 1.509 3.565 0 N-CA-C 119.909 2.724 . . . . 0.0 119.909 170.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -131.23 -23.59 2.4 Favored 'General case' 0 CA--C 1.565 1.546 0 CA-C-N 119.518 1.659 . . . . 0.0 108.398 174.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.537 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 74.5 ttt180 -120.03 151.96 38.22 Favored 'General case' 0 C--N 1.394 2.537 0 C-N-CA 125.959 1.703 . . . . 0.0 110.573 -178.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.21 -17.48 62.51 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 124.089 0.956 . . . . 0.0 111.428 176.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.537 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.23 -42.93 95.63 Favored Glycine 0 C--N 1.389 3.481 0 C-N-CA 124.37 0.986 . . . . 0.0 114.397 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -75.34 -24.43 57.35 Favored 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 124.495 1.118 . . . . 0.0 112.387 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -81.95 -30.28 31.8 Favored 'General case' 0 N--CA 1.5 2.054 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.989 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.42 -38.0 56.22 Favored 'General case' 0 C--N 1.372 1.549 0 C-N-CA 125.311 1.445 . . . . 0.0 112.507 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.08 -31.16 70.59 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 125.36 1.464 . . . . 0.0 111.326 177.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -78.97 -29.56 43.97 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 123.555 0.742 . . . . 0.0 109.854 177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.13 -38.73 69.18 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-N 113.822 -1.535 . . . . 0.0 111.539 177.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.26 -40.53 94.07 Favored 'General case' 0 N--CA 1.507 2.387 0 C-N-CA 125.083 1.353 . . . . 0.0 110.635 174.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.68 -25.85 61.4 Favored 'General case' 0 C--N 1.38 1.897 0 C-N-CA 126.677 1.991 . . . . 0.0 113.684 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.9 m -78.74 -32.24 46.63 Favored 'General case' 0 N--CA 1.501 2.116 0 C-N-CA 123.499 0.719 . . . . 0.0 110.378 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.6 tp -73.2 -41.08 64.22 Favored 'General case' 0 C--N 1.383 2.054 0 C-N-CA 125.083 1.353 . . . . 0.0 110.574 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.6 p -71.02 -31.28 67.73 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 125.348 1.459 . . . . 0.0 113.393 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -76.33 -38.36 56.05 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 123.821 0.848 . . . . 0.0 113.019 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.39 -33.79 73.57 Favored 'General case' 0 C--N 1.389 2.318 0 C-N-CA 124.394 1.078 . . . . 0.0 111.44 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -34.14 77.28 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 126.38 1.872 . . . . 0.0 111.717 176.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.06 -40.38 94.64 Favored 'General case' 0 C--N 1.39 2.363 0 C-N-CA 124.251 1.02 . . . . 0.0 111.93 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.33 -27.47 67.16 Favored 'General case' 0 C--N 1.395 2.571 0 C-N-CA 124.788 1.235 . . . . 0.0 112.951 174.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 76.9 t -64.34 -40.19 88.18 Favored 'Isoleucine or valine' 0 C--N 1.382 1.986 0 C-N-CA 125.671 1.588 . . . . 0.0 108.597 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -67.63 -15.82 63.85 Favored 'General case' 0 N--CA 1.508 2.448 0 C-N-CA 126.13 1.772 . . . . 0.0 112.386 174.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -80.28 -38.72 30.26 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 171.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.98 30.02 3.11 Favored Glycine 0 C--N 1.38 2.976 0 N-CA-C 116.295 1.278 . . . . 0.0 116.295 171.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.13 112.54 24.06 Favored 'General case' 0 C--N 1.376 1.742 0 CA-C-O 121.906 0.86 . . . . 0.0 109.851 178.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.88 -27.74 64.03 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-N 113.16 -1.836 . . . . 0.0 112.965 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.45 -30.79 63.42 Favored 'General case' 0 CA--C 1.578 2.023 0 C-N-CA 123.415 0.686 . . . . 0.0 112.137 176.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -77.91 -22.7 49.27 Favored 'General case' 0 C--N 1.394 2.517 0 C-N-CA 124.263 1.025 . . . . 0.0 112.057 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.5 t -76.84 -48.36 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 126.168 1.787 . . . . 0.0 109.508 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.53 84.64 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 127.479 2.312 . . . . 0.0 112.512 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.92 -44.75 95.22 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 125.358 1.463 . . . . 0.0 109.086 172.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.12 -39.56 94.29 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 124.671 1.232 . . . . 0.0 111.188 174.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.36 95.05 Favored 'General case' 0 N--CA 1.513 2.721 0 C-N-CA 125.198 1.399 . . . . 0.0 112.585 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -70.19 -36.74 74.82 Favored 'General case' 0 N--CA 1.519 3.009 0 C-N-CA 126.069 1.748 . . . . 0.0 110.704 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.4 -29.48 64.97 Favored 'General case' 0 CA--C 1.573 1.847 0 C-N-CA 125.667 1.587 . . . . 0.0 110.653 173.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.43 -45.7 65.35 Favored 'General case' 0 CA--C 1.573 1.843 0 C-N-CA 124.806 1.242 . . . . 0.0 111.781 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.441 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.29 -39.76 81.99 Favored 'General case' 0 C--N 1.387 2.235 0 C-N-CA 125.097 1.359 . . . . 0.0 112.823 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.02 -36.69 82.69 Favored 'General case' 0 C--N 1.387 2.211 0 C-N-CA 126.003 1.721 . . . . 0.0 112.082 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -74.1 -27.58 60.95 Favored 'General case' 0 C--N 1.376 1.728 0 C-N-CA 123.719 0.807 . . . . 0.0 112.627 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.441 HD12 ' HA ' ' A' ' 80' ' ' ALA . 32.8 mt -62.95 -46.03 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.463 0 O-C-N 123.504 0.502 . . . . 0.0 109.734 175.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.71 -44.73 80.89 Favored 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 124.507 1.123 . . . . 0.0 112.182 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.77 -44.23 56.66 Favored 'General case' 0 C--N 1.378 1.832 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -177.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.58 -44.38 12.69 Favored 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -175.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -67.62 -38.67 84.24 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 123.927 0.767 . . . . 0.0 112.661 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -79.07 -39.02 34.9 Favored 'General case' 0 C--N 1.388 2.268 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -73.3 -31.19 63.89 Favored 'General case' 0 N--CA 1.514 2.768 0 CA-C-N 118.791 0.723 . . . . 0.0 110.627 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.74 -29.15 61.07 Favored 'General case' 0 C--N 1.386 2.171 0 C-N-CA 123.775 0.83 . . . . 0.0 109.372 174.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.26 -30.67 67.78 Favored 'General case' 0 C--N 1.412 3.299 0 C-N-CA 125.051 1.34 . . . . 0.0 114.411 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.1 p -88.66 -21.32 24.0 Favored 'General case' 0 N--CA 1.503 2.175 0 CA-C-N 119.648 1.113 . . . . 0.0 110.114 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.7 -16.84 59.4 Favored 'General case' 0 C--N 1.386 2.154 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.231 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 38.9 p -61.84 -29.28 70.07 Favored 'General case' 0 C--N 1.405 2.992 0 C-N-CA 125.717 1.607 . . . . 0.0 113.679 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.15 -30.48 71.54 Favored 'General case' 0 N--CA 1.506 2.329 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.34 -34.63 72.88 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 124.156 0.982 . . . . 0.0 110.811 176.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.414 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 2.4 ptt180 -105.54 32.59 4.2 Favored 'General case' 0 CA--C 1.585 2.302 0 C-N-CA 126.869 2.067 . . . . 0.0 113.548 -179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -123.44 0.92 8.93 Favored 'General case' 0 N--CA 1.503 2.214 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 -177.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -110.9 -89.53 0.5 Allowed 'General case' 0 N--CA 1.5 2.029 0 CA-C-N 111.101 -2.772 . . . . 0.0 117.198 -175.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -110.98 -24.05 10.6 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 124.787 1.235 . . . . 0.0 110.288 -175.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 97' ' ' ARG . . . -83.08 -10.57 58.63 Favored 'General case' 0 C--N 1.366 1.297 0 CA-C-N 112.323 -2.217 . . . . 0.0 113.676 -177.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -47.09 -44.65 21.4 Favored 'General case' 0 N--CA 1.51 2.547 0 C-N-CA 126.539 1.936 . . . . 0.0 115.753 -172.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mt -73.38 -55.06 3.8 Favored Pre-proline 0 CA--C 1.6 2.883 0 CA-C-O 116.313 -1.803 . . . . 0.0 114.253 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -84.59 -3.07 9.95 Favored 'Trans proline' 1 C--N 1.446 5.706 0 C-N-CA 122.838 2.359 . . . . 0.0 116.77 177.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -119.58 2.01 13.85 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-O 119.333 -0.704 . . . . 0.0 113.852 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -92.2 -9.53 61.91 Favored Glycine 0 C--N 1.373 2.593 0 C-N-CA 123.799 0.714 . . . . 0.0 114.265 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -97.44 -27.67 14.35 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 125.01 1.324 . . . . 0.0 111.371 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.8 mt -72.92 -38.48 66.83 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 124.37 1.068 . . . . 0.0 111.554 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -71.93 -28.17 63.29 Favored 'General case' 0 C--N 1.384 2.068 0 C-N-CA 124.687 1.195 . . . . 0.0 109.287 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.29 78.75 Favored 'General case' 0 C--N 1.388 2.282 0 C-N-CA 125.586 1.554 . . . . 0.0 110.895 174.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.61 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 4.3 mpt_? -77.56 -50.47 12.51 Favored 'General case' 0 C--N 1.393 2.494 0 C-N-CA 123.607 0.763 . . . . 0.0 110.268 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mp -58.59 -61.0 2.93 Favored 'General case' 0 CA--C 1.593 2.613 0 O-C-N 124.092 0.87 . . . . 0.0 113.315 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.36 -47.63 8.64 Favored 'General case' 0 C--N 1.384 2.085 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 -175.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -72.32 -36.52 68.89 Favored 'General case' 0 N--CA 1.513 2.694 0 N-CA-C 114.49 1.292 . . . . 0.0 114.49 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.61 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 7.0 m-85 -70.57 -39.22 74.03 Favored 'General case' 0 C--N 1.391 2.402 0 CA-C-O 118.721 -0.657 . . . . 0.0 112.144 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -69.75 -35.49 75.01 Favored 'General case' 0 C--N 1.397 2.649 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -64.13 -40.92 97.21 Favored 'General case' 0 N--CA 1.523 3.218 0 C-N-CA 124.765 1.226 . . . . 0.0 113.791 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -68.63 -35.94 77.97 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 124.418 1.087 . . . . 0.0 112.281 177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.51 -36.3 80.78 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 125.068 1.347 . . . . 0.0 112.148 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -64.47 -41.27 96.6 Favored 'General case' 0 N--CA 1.509 2.48 0 C-N-CA 125.435 1.494 . . . . 0.0 114.563 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -73.52 -40.16 64.25 Favored 'General case' 0 N--CA 1.507 2.394 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.29 -32.65 71.41 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 123.344 0.403 . . . . 0.0 110.252 173.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.83 -32.96 70.18 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 125.081 1.352 . . . . 0.0 112.726 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.44 -38.05 83.92 Favored 'General case' 0 C--N 1.404 2.963 0 C-N-CA 125.314 1.446 . . . . 0.0 111.557 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.75 -38.55 91.38 Favored 'General case' 0 C--N 1.392 2.438 0 O-C-N 125.064 1.478 . . . . 0.0 110.726 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -69.55 -38.38 77.43 Favored 'General case' 0 C--N 1.383 2.036 0 C-N-CA 125.158 1.383 . . . . 0.0 110.854 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -73.64 -46.3 47.59 Favored 'General case' 0 N--CA 1.511 2.611 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.03 -40.73 78.43 Favored 'General case' 0 N--CA 1.514 2.771 0 C-N-CA 124.463 1.105 . . . . 0.0 113.209 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.51 -35.33 77.33 Favored 'General case' 0 C--N 1.383 2.024 0 C-N-CA 124.369 1.068 . . . . 0.0 111.829 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.543 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 24.9 tt0 -72.74 -26.2 61.48 Favored 'General case' 0 C--N 1.384 2.099 0 CA-C-O 118.075 -0.964 . . . . 0.0 113.164 178.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -71.28 -53.36 14.57 Favored 'General case' 0 C--O 1.276 2.473 0 CA-C-N 119.133 0.879 . . . . 0.0 113.21 -177.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.22 -34.41 65.89 Favored 'General case' 0 C--N 1.388 2.246 0 CA-C-N 113.661 -1.609 . . . . 0.0 112.353 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.537 ' HB3' HD22 ' A' ' 141' ' ' LEU . 70.2 m-85 -88.1 -12.02 45.36 Favored 'General case' 0 CA--C 1.575 1.933 0 C-N-CA 124.263 1.025 . . . . 0.0 113.065 178.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -63.06 -33.6 75.78 Favored 'General case' 0 N--CA 1.525 3.29 0 C-N-CA 125.011 1.325 . . . . 0.0 110.734 175.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.48 -15.85 63.89 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 125.628 1.571 . . . . 0.0 114.041 176.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -95.16 -29.06 14.74 Favored 'General case' 0 C--N 1.39 2.34 0 C-N-CA 124.336 1.055 . . . . 0.0 109.766 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 51.28 25.44 2.5 Favored 'General case' 0 N--CA 1.523 3.21 0 C-N-CA 128.305 2.642 . . . . 0.0 117.087 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.58 146.58 41.98 Favored Pre-proline 0 CA--C 1.586 2.338 0 CA-C-O 118.565 -0.731 . . . . 0.0 112.301 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.27 -12.03 12.18 Favored 'Trans proline' 1 C--N 1.43 4.851 0 C-N-CA 124.47 3.447 . . . . 0.0 118.077 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -71.24 -31.22 67.28 Favored 'General case' 0 N--CA 1.531 3.599 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -175.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 133' ' ' TYR . 0.0 OUTLIER -78.17 -30.28 49.03 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 125.824 1.65 . . . . 0.0 110.288 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.32 -32.96 70.94 Favored 'General case' 0 C--N 1.391 2.399 0 C-N-CA 124.908 1.283 . . . . 0.0 110.041 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -71.35 -33.83 69.95 Favored 'General case' 0 CA--C 1.578 2.044 0 C-N-CA 123.806 0.842 . . . . 0.0 110.768 174.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.98 -44.03 66.82 Favored 'General case' 0 N--CA 1.515 2.78 0 C-N-CA 125.273 1.429 . . . . 0.0 114.591 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 141' ' ' LEU . 3.0 mt -68.76 -42.0 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.318 0 C-N-CA 125.248 1.419 . . . . 0.0 109.852 177.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.4 m -60.86 -40.32 92.48 Favored 'General case' 0 CA--C 1.587 2.383 0 C-N-CA 125.915 1.686 . . . . 0.0 111.324 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.93 94.51 Favored 'General case' 0 N--CA 1.51 2.572 0 C-N-CA 124.933 1.293 . . . . 0.0 112.341 176.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.5 -29.37 63.56 Favored 'General case' 0 C--N 1.384 2.07 0 C-N-CA 125.194 1.398 . . . . 0.0 111.558 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -34.92 78.17 Favored 'General case' 0 C--N 1.39 2.329 0 C-N-CA 126.009 1.724 . . . . 0.0 112.641 177.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -74.6 -34.94 62.94 Favored 'General case' 0 C--N 1.389 2.296 0 C-N-CA 125.166 1.386 . . . . 0.0 109.928 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -70.44 -33.96 71.91 Favored 'General case' 0 C--N 1.387 2.209 0 C-N-CA 125.713 1.605 . . . . 0.0 112.537 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.3 tt -62.76 -40.4 97.15 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 124.58 1.152 . . . . 0.0 109.873 174.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.0 p -77.93 -39.94 41.22 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -71.86 -35.35 69.78 Favored 'General case' 0 N--CA 1.513 2.72 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 90.7 m -72.17 -38.11 69.2 Favored 'General case' 0 C--N 1.38 1.908 0 C-N-CA 123.793 0.837 . . . . 0.0 111.295 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -37.84 88.9 Favored 'General case' 0 CA--C 1.588 2.423 0 C-N-CA 125.175 1.39 . . . . 0.0 112.768 178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.8 m -71.38 -42.67 68.11 Favored 'General case' 0 CA--C 1.579 2.085 0 C-N-CA 125.258 1.423 . . . . 0.0 112.027 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.94 88.44 Favored 'General case' 0 C--N 1.38 1.93 0 C-N-CA 125.966 1.707 . . . . 0.0 113.534 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 39.3 mt -69.54 -39.6 78.64 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.264 0 C-N-CA 125.586 1.555 . . . . 0.0 110.429 176.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.51 95.02 Favored 'General case' 0 C--N 1.387 2.219 0 C-N-CA 124.728 1.211 . . . . 0.0 113.912 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.1 -39.57 86.74 Favored 'General case' 0 N--CA 1.515 2.811 0 C-N-CA 125.064 1.346 . . . . 0.0 113.453 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 13.0 p -70.3 -30.45 67.45 Favored 'General case' 0 N--CA 1.507 2.423 0 C-N-CA 124.289 1.035 . . . . 0.0 112.253 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -74.25 -26.92 60.5 Favored 'General case' 0 C--N 1.381 1.963 0 C-N-CA 124.637 1.175 . . . . 0.0 112.224 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.83 -38.16 79.66 Favored 'General case' 0 N--CA 1.515 2.805 0 C-N-CA 124.974 1.31 . . . . 0.0 112.591 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.26 -32.94 70.99 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.511 1.124 . . . . 0.0 110.18 177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.8 -28.75 63.81 Favored 'General case' 0 C--N 1.388 2.256 0 C-N-CA 125.33 1.452 . . . . 0.0 111.759 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -71.79 -26.3 62.36 Favored 'General case' 0 C--N 1.384 2.074 0 C-N-CA 125.33 1.452 . . . . 0.0 113.132 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.23 -18.58 38.7 Favored 'General case' 0 CA--C 1.575 1.937 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -179.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.7 22.62 5.75 Favored 'Isoleucine or valine' 0 C--N 1.373 1.627 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 47.8 m -56.9 -40.67 76.69 Favored 'General case' 0 C--N 1.375 1.694 0 CA-C-N 113.096 -1.865 . . . . 0.0 109.915 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 . . . . . 0 N--CA 1.495 1.801 0 CA-C-N 113.881 -1.509 . . . . 0.0 111.702 -179.523 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 mtt . . . . . 0 N--CA 1.499 2.016 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -112.14 125.4 54.08 Favored 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 124.011 0.924 . . . . 0.0 111.542 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.03 133.82 25.63 Favored Pre-proline 0 N--CA 1.497 1.915 0 C-N-CA 123.928 0.891 . . . . 0.0 111.301 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -64.88 119.07 6.02 Favored 'Trans proline' 1 C--N 1.433 5.001 0 C-N-CA 123.422 2.748 . . . . 0.0 114.998 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mt -99.42 -47.58 5.09 Favored 'General case' 0 N--CA 1.504 2.255 0 C-N-CA 123.51 0.724 . . . . 0.0 111.74 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.44 -37.23 52.06 Favored 'General case' 0 C--N 1.374 1.67 0 C-N-CA 125.249 1.419 . . . . 0.0 112.597 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.8 -33.33 72.22 Favored 'General case' 0 C--N 1.379 1.873 0 C-N-CA 124.126 0.971 . . . . 0.0 110.39 179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -68.49 -36.01 78.34 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 124.49 1.119 . . . . 0.0 111.675 177.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.7 m -72.96 -40.7 65.13 Favored 'General case' 0 C--N 1.38 1.925 0 C-N-CA 123.728 0.811 . . . . 0.0 110.902 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.36 -43.51 92.84 Favored 'General case' 0 C--N 1.389 2.321 0 O-C-N 124.362 1.039 . . . . 0.0 112.337 174.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -64.5 -40.43 95.63 Favored 'General case' 0 C--N 1.401 2.834 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -69.94 -36.08 75.01 Favored 'General case' 0 C--N 1.377 1.788 0 CA-C-O 117.828 -1.082 . . . . 0.0 110.755 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -63.18 -29.56 70.88 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 124.003 0.921 . . . . 0.0 111.836 175.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.4 t -76.08 -47.52 31.38 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.425 0 C-N-CA 125.837 1.655 . . . . 0.0 111.14 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.46 -29.18 66.8 Favored 'General case' 0 N--CA 1.506 2.327 0 CA-C-N 119.008 0.822 . . . . 0.0 111.66 175.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.13 -40.5 90.68 Favored 'General case' 0 N--CA 1.514 2.768 0 C-N-CA 125.379 1.471 . . . . 0.0 110.586 172.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.91 -34.42 66.62 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 124.336 1.055 . . . . 0.0 110.884 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -59.7 -42.04 92.1 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 127.064 2.145 . . . . 0.0 111.548 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.39 -15.49 59.93 Favored 'General case' 0 N--CA 1.501 2.125 0 C-N-CA 124.999 1.319 . . . . 0.0 114.019 177.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mp -98.4 -20.16 17.3 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 124.209 1.004 . . . . 0.0 109.433 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.6 14.54 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 C-N-CA 126.911 2.084 . . . . 0.0 112.45 178.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.78 -74.23 0.47 Allowed Glycine 0 N--CA 1.493 2.441 0 CA-C-O 116.831 -2.094 . . . . 0.0 113.995 -172.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -67.11 -0.72 5.15 Favored 'Trans proline' 1 C--N 1.416 4.113 0 CA-C-N 121.734 2.767 . . . . 0.0 115.41 177.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 mt -88.49 -14.57 37.48 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 125.664 1.586 . . . . 0.0 112.6 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -60.6 -44.21 96.52 Favored 'General case' 0 N--CA 1.51 2.565 0 C-N-CA 126.905 2.082 . . . . 0.0 116.028 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.18 -33.68 13.21 Favored 'General case' 0 C--N 1.379 1.859 0 C-N-CA 124.335 1.054 . . . . 0.0 110.454 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -114.13 101.37 9.15 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 114.194 -1.366 . . . . 0.0 111.616 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -91.75 119.53 31.67 Favored 'General case' 0 N--CA 1.503 2.219 0 C-N-CA 123.346 0.659 . . . . 0.0 111.964 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -121.93 -80.87 0.63 Allowed 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.587 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.6 110.55 4.78 Favored 'General case' 0 C--N 1.383 2.059 0 C-N-CA 123.932 0.893 . . . . 0.0 110.659 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.5 m -115.95 105.75 50.77 Favored Pre-proline 0 C--N 1.388 2.251 0 CA-C-N 118.983 0.811 . . . . 0.0 110.76 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -66.12 -34.74 36.06 Favored 'Trans proline' 1 C--N 1.429 4.811 0 C-N-CA 123.851 3.034 . . . . 0.0 116.383 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -104.1 29.45 5.93 Favored 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 126.867 2.067 . . . . 0.0 114.111 -177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -53.64 108.4 0.34 Allowed 'General case' 0 N--CA 1.503 2.211 0 CA-C-O 122.926 1.346 . . . . 0.0 112.859 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.78 54.79 1.8 Allowed 'General case' 0 C--O 1.248 0.975 0 CA-C-N 112.293 -2.23 . . . . 0.0 108.683 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -87.22 -2.13 58.4 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 112.194 -2.275 . . . . 0.0 113.148 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -79.49 -15.22 58.14 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.32 1.048 . . . . 0.0 111.253 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.35 -5.46 59.15 Favored 'General case' 0 C--N 1.39 2.354 0 C-N-CA 123.928 0.891 . . . . 0.0 112.239 176.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.62 158.02 28.29 Favored 'General case' 0 C--N 1.377 1.802 0 C-N-CA 126.136 1.775 . . . . 0.0 108.046 177.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.44 108.9 14.67 Favored 'General case' 0 C--N 1.381 1.953 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.2 t -160.5 163.57 32.77 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 112.101 -2.318 . . . . 0.0 107.674 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -106.12 -26.03 11.78 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.946 0.898 . . . . 0.0 111.441 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.25 83.81 1.66 Allowed Glycine 0 N--CA 1.499 2.835 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.64 -48.18 1.16 Allowed 'General case' 0 C--N 1.377 1.797 0 CA-C-N 117.585 0.693 . . . . 0.0 109.993 -175.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.486 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 66.0 ttt180 -175.3 171.22 2.94 Favored 'General case' 0 C--N 1.407 3.099 0 C-N-CA 127.867 2.467 . . . . 0.0 111.07 -173.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.495 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 2.2 mt -67.36 -23.74 65.63 Favored 'General case' 0 N--CA 1.538 3.951 0 C-N-CA 125.099 1.36 . . . . 0.0 109.976 170.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.486 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.99 -38.16 92.48 Favored Glycine 0 N--CA 1.502 3.051 0 C-N-CA 125.839 1.685 . . . . 0.0 115.076 177.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.41 -41.15 73.35 Favored 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 123.28 0.632 . . . . 0.0 111.807 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -62.74 -34.8 77.93 Favored 'General case' 0 N--CA 1.508 2.448 0 O-C-N 124.674 1.234 . . . . 0.0 111.647 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -76.72 -40.24 49.31 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.473 1.509 . . . . 0.0 114.074 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -31.16 68.43 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 125.118 1.367 . . . . 0.0 111.594 177.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -80.99 -29.15 35.28 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 123.871 0.868 . . . . 0.0 109.6 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.96 -38.42 66.73 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 114.114 -1.403 . . . . 0.0 111.299 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.49 -39.45 85.21 Favored 'General case' 0 CA--C 1.577 2.017 0 C-N-CA 124.95 1.3 . . . . 0.0 110.388 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -71.85 -24.63 61.72 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 126.808 2.043 . . . . 0.0 112.753 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.28 -32.04 43.53 Favored 'General case' 0 C--N 1.38 1.926 0 C-N-CA 123.5 0.72 . . . . 0.0 109.214 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.423 HD11 HD11 ' A' ' 123' ' ' LEU . 16.8 tp -72.0 -40.48 68.49 Favored 'General case' 0 C--N 1.382 2.017 0 C-N-CA 125.802 1.641 . . . . 0.0 110.774 177.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.4 p -70.42 -32.08 69.55 Favored 'General case' 0 N--CA 1.508 2.452 0 C-N-CA 125.255 1.422 . . . . 0.0 113.144 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -75.3 -33.9 61.24 Favored 'General case' 0 N--CA 1.509 2.488 0 C-N-CA 123.719 0.808 . . . . 0.0 112.899 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -71.33 -30.38 66.12 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 124.689 1.196 . . . . 0.0 111.454 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -69.46 -32.94 72.17 Favored 'General case' 0 C--N 1.385 2.135 0 C-N-CA 125.777 1.631 . . . . 0.0 111.497 176.584 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.42 -41.55 96.53 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 124.237 1.015 . . . . 0.0 110.502 177.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.71 -29.67 68.98 Favored 'General case' 0 C--N 1.394 2.514 0 C-N-CA 125.716 1.607 . . . . 0.0 115.124 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 61' ' ' GLU . 21.0 m -69.57 -30.2 44.3 Favored 'Isoleucine or valine' 0 C--N 1.394 2.529 0 CA-C-O 121.952 0.882 . . . . 0.0 111.646 178.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -70.27 -12.4 61.56 Favored 'General case' 0 N--CA 1.501 2.088 0 CA-C-N 112.415 -2.175 . . . . 0.0 111.612 172.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -88.42 -38.19 15.26 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 107.84 -1.171 . . . . 0.0 107.84 172.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.01 35.3 1.52 Allowed Glycine 0 C--N 1.386 3.311 0 N-CA-C 116.909 1.523 . . . . 0.0 116.909 171.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.25 107.18 19.59 Favored 'General case' 0 C--N 1.374 1.643 0 CA-C-O 121.738 0.78 . . . . 0.0 109.12 177.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.32 -21.63 61.3 Favored 'General case' 0 N--CA 1.504 2.225 0 CA-C-N 113.738 -1.574 . . . . 0.0 112.599 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.5 m -71.29 -37.47 71.85 Favored 'General case' 0 CA--C 1.571 1.778 0 C-N-CA 125.169 1.388 . . . . 0.0 110.102 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.74 -22.34 58.85 Favored 'General case' 0 C--N 1.394 2.518 0 C-N-CA 124.678 1.191 . . . . 0.0 111.898 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.0 t -74.96 -50.27 25.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 126.473 1.909 . . . . 0.0 109.313 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.87 -37.98 85.45 Favored 'General case' 0 C--N 1.379 1.855 0 C-N-CA 126.838 2.055 . . . . 0.0 113.052 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -64.39 -43.66 93.76 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 126.472 1.909 . . . . 0.0 110.442 174.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.48 -35.55 68.21 Favored 'General case' 0 N--CA 1.495 1.803 0 C-N-CA 124.214 1.005 . . . . 0.0 110.81 176.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.07 92.6 Favored 'General case' 0 N--CA 1.511 2.589 0 C-N-CA 124.312 1.045 . . . . 0.0 112.594 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -70.79 -38.26 73.36 Favored 'General case' 0 N--CA 1.516 2.831 0 C-N-CA 125.697 1.599 . . . . 0.0 111.781 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -71.11 -29.37 65.17 Favored 'General case' 0 N--CA 1.502 2.148 0 C-N-CA 125.512 1.525 . . . . 0.0 110.439 174.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.5 -45.54 68.66 Favored 'General case' 0 C--N 1.378 1.811 0 C-N-CA 124.226 1.01 . . . . 0.0 112.009 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.12 -40.01 82.62 Favored 'General case' 0 C--N 1.385 2.14 0 C-N-CA 124.88 1.272 . . . . 0.0 113.2 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.66 -38.07 83.27 Favored 'General case' 0 C--N 1.389 2.286 0 C-N-CA 125.864 1.665 . . . . 0.0 112.538 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -73.35 -27.49 61.52 Favored 'General case' 0 C--N 1.376 1.719 0 C-N-CA 123.882 0.873 . . . . 0.0 112.861 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 80' ' ' ALA . 33.4 mt -63.6 -45.63 97.09 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.445 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 175.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.68 -45.14 83.98 Favored 'General case' 0 N--CA 1.505 2.287 0 C-N-CA 124.446 1.098 . . . . 0.0 112.303 -178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.56 -45.5 52.99 Favored 'General case' 0 C--N 1.379 1.858 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.9 mp -85.56 -42.12 14.67 Favored 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 115.705 1.742 . . . . 0.0 115.705 -175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 2.1 mt-30 -67.48 -38.31 84.2 Favored 'General case' 0 N--CA 1.499 2.022 0 CA-C-O 118.871 -0.585 . . . . 0.0 111.982 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -79.07 -41.51 28.55 Favored 'General case' 0 CA--C 1.586 2.343 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -71.95 -35.77 69.69 Favored 'General case' 0 N--CA 1.516 2.868 0 C-N-CA 123.489 0.716 . . . . 0.0 110.761 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.43 -29.09 62.34 Favored 'General case' 0 C--N 1.384 2.105 0 C-N-CA 124.007 0.923 . . . . 0.0 110.175 175.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.89 -35.88 77.41 Favored 'General case' 0 C--N 1.411 3.255 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.5 p -84.31 -21.16 31.1 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 119.897 1.226 . . . . 0.0 110.396 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.47 -33.28 66.9 Favored 'General case' 0 C--N 1.388 2.256 0 CA-C-N 113.948 -1.478 . . . . 0.0 112.49 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.15 -9.12 59.03 Favored 'General case' 0 C--N 1.392 2.452 0 C-N-CA 124.168 0.987 . . . . 0.0 112.779 178.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 mt -85.22 -32.34 22.68 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -81.51 -14.88 56.41 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 174.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -114.72 41.02 2.45 Favored 'General case' 0 C--N 1.384 2.087 0 C-N-CA 127.458 2.303 . . . . 0.0 113.589 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -124.94 1.42 8.02 Favored 'General case' 0 CA--C 1.578 2.021 0 N-CA-C 104.642 -2.355 . . . . 0.0 104.642 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -99.97 -91.32 0.3 Allowed 'General case' 0 C--N 1.379 1.866 0 CA-C-N 111.833 -2.439 . . . . 0.0 117.103 -176.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -113.7 -24.91 8.93 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 125.241 1.416 . . . . 0.0 110.134 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.08 -12.79 58.05 Favored 'General case' 0 C--N 1.366 1.291 0 CA-C-N 111.842 -2.435 . . . . 0.0 114.696 -175.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -54.98 -38.29 67.64 Favored 'General case' 0 N--CA 1.506 2.335 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -171.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mt -69.86 -52.81 12.72 Favored Pre-proline 0 CA--C 1.594 2.639 0 CA-C-O 116.403 -1.76 . . . . 0.0 113.046 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -79.63 3.32 7.64 Favored 'Trans proline' 1 C--N 1.45 5.893 0 C-N-CA 123.15 2.567 . . . . 0.0 114.786 173.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -162.55 92.57 0.11 Allowed Glycine 0 C--N 1.357 1.701 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -178.07 -41.52 0.07 OUTLIER Glycine 0 N--CA 1.471 0.985 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 -176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -69.19 -34.7 75.32 Favored 'General case' 0 N--CA 1.507 2.403 0 C-N-CA 125.861 1.664 . . . . 0.0 110.615 175.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 72.8 mt -71.04 -28.68 64.56 Favored 'General case' 0 C--N 1.384 2.1 0 C-N-CA 126.366 1.866 . . . . 0.0 111.684 176.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -69.31 -33.3 72.96 Favored 'General case' 0 C--N 1.379 1.891 0 C-N-CA 124.6 1.16 . . . . 0.0 110.957 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.17 -38.29 87.71 Favored 'General case' 0 C--N 1.393 2.469 0 C-N-CA 126.083 1.753 . . . . 0.0 111.164 174.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 7.5 mpt_? -71.88 -48.78 43.38 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 124.438 1.095 . . . . 0.0 111.029 175.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.3 mp -62.95 -60.84 2.91 Favored 'General case' 0 CA--C 1.604 3.031 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.67 -43.3 18.72 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 117.026 2.232 . . . . 0.0 117.026 -175.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 41.8 mt-10 -72.15 -32.65 67.08 Favored 'General case' 0 N--CA 1.51 2.525 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -178.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.493 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.0 m-85 -67.2 -40.0 86.42 Favored 'General case' 0 C--N 1.394 2.509 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.693 177.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -66.5 -39.33 88.66 Favored 'General case' 0 C--N 1.393 2.472 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.63 -42.59 86.5 Favored 'General case' 0 N--CA 1.522 3.168 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -69.61 -36.51 76.25 Favored 'General case' 0 N--CA 1.507 2.379 0 C-N-CA 124.324 1.05 . . . . 0.0 112.387 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -70.96 -27.73 63.95 Favored 'General case' 0 C--N 1.38 1.928 0 C-N-CA 124.952 1.301 . . . . 0.0 112.078 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -66.6 -45.55 78.82 Favored 'General case' 0 N--CA 1.506 2.36 0 C-N-CA 125.643 1.577 . . . . 0.0 114.33 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -72.88 -39.24 66.6 Favored 'General case' 0 N--CA 1.511 2.621 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 176.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.24 -33.16 71.9 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 123.779 0.674 . . . . 0.0 110.354 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.423 HD11 HD11 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -70.83 -33.9 71.14 Favored 'General case' 0 C--N 1.38 1.9 0 C-N-CA 125.111 1.364 . . . . 0.0 112.535 175.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.75 92.04 Favored 'General case' 0 C--N 1.41 3.196 0 C-N-CA 125.61 1.564 . . . . 0.0 111.639 -178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.38 -38.96 92.87 Favored 'General case' 0 C--N 1.388 2.26 0 O-C-N 125.081 1.488 . . . . 0.0 110.42 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -69.5 -36.51 76.56 Favored 'General case' 0 C--N 1.388 2.265 0 C-N-CA 124.863 1.265 . . . . 0.0 110.361 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -65.54 -37.74 87.59 Favored 'General case' 0 C--N 1.398 2.691 0 C-N-CA 125.12 1.368 . . . . 0.0 114.341 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.12 -40.01 82.62 Favored 'General case' 0 N--CA 1.509 2.492 0 C-N-CA 124.297 1.039 . . . . 0.0 111.614 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -76.04 -23.01 55.09 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 124.579 1.152 . . . . 0.0 112.532 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -71.92 -34.62 69.23 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 125.534 1.533 . . . . 0.0 111.021 176.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -66.92 -39.19 87.3 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 124.94 1.296 . . . . 0.0 110.385 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -69.41 -36.55 76.83 Favored 'General case' 0 C--N 1.389 2.303 0 C-N-CA 125.125 1.37 . . . . 0.0 111.894 176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -69.23 -35.69 76.42 Favored 'General case' 0 C--N 1.394 2.533 0 C-N-CA 124.765 1.226 . . . . 0.0 111.748 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.02 -38.6 91.67 Favored 'General case' 0 CA--C 1.571 1.757 0 C-N-CA 125.174 1.39 . . . . 0.0 113.43 177.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -90.51 -39.31 12.66 Favored 'General case' 0 C--N 1.385 2.143 0 N-CA-C 116.312 1.967 . . . . 0.0 116.312 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -107.39 -30.33 8.74 Favored 'General case' 0 C--N 1.395 2.56 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 -174.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 39.6 m80 56.35 28.4 13.42 Favored 'General case' 0 N--CA 1.531 3.601 0 C-N-CA 127.444 2.297 . . . . 0.0 116.349 -178.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.16 142.23 59.06 Favored Pre-proline 0 N--CA 1.503 2.189 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.49 -14.44 35.19 Favored 'Trans proline' 1 C--N 1.435 5.124 0 C-N-CA 124.199 3.266 . . . . 0.0 116.619 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -69.34 -37.53 77.71 Favored 'General case' 0 N--CA 1.529 3.48 0 C-N-CA 124.653 1.181 . . . . 0.0 113.218 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -29.74 47.62 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 126.505 1.922 . . . . 0.0 109.858 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.53 76.14 Favored 'General case' 0 C--N 1.377 1.803 0 C-N-CA 126.801 2.041 . . . . 0.0 110.108 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.02 -34.06 72.79 Favored 'General case' 0 C--N 1.379 1.881 0 C-N-CA 124.223 1.009 . . . . 0.0 110.644 173.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.27 -42.55 65.44 Favored 'General case' 0 N--CA 1.512 2.654 0 C-N-CA 125.311 1.444 . . . . 0.0 114.538 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.7 mt -67.56 -42.72 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.525 3.282 0 C-N-CA 125.082 1.353 . . . . 0.0 109.117 177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.5 m -62.54 -42.09 99.31 Favored 'General case' 0 CA--C 1.589 2.454 0 C-N-CA 125.945 1.698 . . . . 0.0 111.467 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.46 94.79 Favored 'General case' 0 N--CA 1.514 2.741 0 C-N-CA 124.687 1.195 . . . . 0.0 112.131 175.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 22.9 mt -72.67 -27.62 62.21 Favored 'General case' 0 C--N 1.38 1.915 0 C-N-CA 125.156 1.383 . . . . 0.0 111.882 176.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -35.5 81.06 Favored 'General case' 0 C--N 1.392 2.425 0 C-N-CA 125.874 1.669 . . . . 0.0 112.182 177.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -75.28 -35.94 61.26 Favored 'General case' 0 C--N 1.389 2.32 0 C-N-CA 124.563 1.145 . . . . 0.0 109.994 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -71.12 -34.86 71.46 Favored 'General case' 0 C--N 1.387 2.196 0 C-N-CA 125.53 1.532 . . . . 0.0 112.744 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.37 -38.36 90.75 Favored 'General case' 0 C--N 1.379 1.864 0 C-N-CA 124.876 1.27 . . . . 0.0 109.985 174.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.3 p -76.9 -37.92 54.51 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 123.841 0.713 . . . . 0.0 112.377 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -71.28 -33.99 70.27 Favored 'General case' 0 N--CA 1.514 2.77 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 78.5 m -71.25 -38.78 71.91 Favored 'General case' 0 C--N 1.386 2.179 0 C-N-CA 123.935 0.894 . . . . 0.0 110.771 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -59.88 -37.15 78.52 Favored 'General case' 0 C--N 1.396 2.589 0 C-N-CA 125.772 1.629 . . . . 0.0 112.384 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 14.1 m -67.95 -40.52 83.22 Favored 'General case' 0 CA--C 1.58 2.134 0 C-N-CA 125.529 1.532 . . . . 0.0 110.515 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.25 -37.36 80.69 Favored 'General case' 0 C--N 1.381 1.947 0 C-N-CA 126.266 1.826 . . . . 0.0 112.677 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 34.3 mt -67.31 -41.75 86.84 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.01 0 C-N-CA 126.391 1.877 . . . . 0.0 110.091 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.64 97.45 Favored 'General case' 0 C--N 1.388 2.273 0 C-N-CA 124.771 1.228 . . . . 0.0 113.551 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.53 -39.66 85.04 Favored 'General case' 0 N--CA 1.515 2.782 0 C-N-CA 125.151 1.38 . . . . 0.0 113.585 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 14.8 p -71.38 -32.39 68.43 Favored 'General case' 0 N--CA 1.509 2.523 0 C-N-CA 124.436 1.095 . . . . 0.0 112.085 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -71.96 -29.09 63.9 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 124.673 1.189 . . . . 0.0 111.583 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.82 -32.13 70.4 Favored 'General case' 0 N--CA 1.512 2.632 0 C-N-CA 125.208 1.403 . . . . 0.0 112.088 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.17 72.39 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 124.936 1.294 . . . . 0.0 111.448 175.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 2.1 mp -78.22 -32.31 49.76 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 125.743 1.617 . . . . 0.0 112.044 177.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -71.57 -30.86 66.33 Favored 'General case' 0 N--CA 1.515 2.796 0 C-N-CA 126.158 1.783 . . . . 0.0 113.664 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -51.78 -45.11 63.67 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 127.955 2.502 . . . . 0.0 113.853 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -105.96 -165.64 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.693 0 C-N-CA 126.103 1.761 . . . . 0.0 108.204 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.52 36.06 2.27 Favored 'General case' 0 CA--C 1.564 1.503 0 CA-C-O 122.896 1.331 . . . . 0.0 107.71 173.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 . . . . . 0 N--CA 1.522 3.175 0 CA-C-N 111.912 -2.404 . . . . 0.0 113.584 177.447 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mtt . . . . . 0 N--CA 1.496 1.87 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -110.76 120.57 42.82 Favored 'General case' 0 C--N 1.381 1.943 0 C-N-CA 123.684 0.793 . . . . 0.0 112.166 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.36 -52.84 0.04 OUTLIER Pre-proline 0 CA--C 1.586 2.333 0 CA-C-O 116.247 -1.835 . . . . 0.0 111.697 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -64.86 -21.34 64.42 Favored 'Trans proline' 1 C--N 1.454 6.115 0 C-N-CA 123.42 2.747 . . . . 0.0 116.85 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.96 -35.24 24.13 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 123.957 0.903 . . . . 0.0 111.548 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -36.21 53.57 Favored 'General case' 0 C--N 1.375 1.695 0 C-N-CA 125.338 1.455 . . . . 0.0 112.154 178.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -29.9 65.6 Favored 'General case' 0 C--N 1.378 1.847 0 C-N-CA 124.387 1.075 . . . . 0.0 110.295 177.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -65.52 -40.79 93.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 124.736 1.272 . . . . 0.0 111.75 176.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -70.08 -40.66 74.85 Favored 'General case' 0 C--N 1.387 2.209 0 C-N-CA 123.806 0.842 . . . . 0.0 110.984 177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mt -58.33 -44.63 88.75 Favored 'General case' 0 C--N 1.386 2.164 0 O-C-N 124.409 1.068 . . . . 0.0 112.073 173.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -66.17 -39.28 89.64 Favored 'General case' 0 C--N 1.399 2.733 0 N-CA-C 114.781 1.401 . . . . 0.0 114.781 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -70.12 -38.73 75.64 Favored 'General case' 0 C--N 1.378 1.814 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.701 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -61.45 -32.87 72.86 Favored 'General case' 0 N--CA 1.503 2.189 0 C-N-CA 124.101 0.96 . . . . 0.0 111.756 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.2 t -75.12 -46.31 39.75 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.35 0 C-N-CA 125.526 1.53 . . . . 0.0 111.486 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -29.02 66.97 Favored 'General case' 0 N--CA 1.507 2.407 0 C-N-CA 124.058 0.943 . . . . 0.0 111.541 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.49 -39.54 81.27 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 125.609 1.564 . . . . 0.0 110.928 171.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mt -71.92 -39.19 69.65 Favored 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 124.612 1.165 . . . . 0.0 111.18 178.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -61.07 -38.59 86.77 Favored 'General case' 0 N--CA 1.501 2.091 0 C-N-CA 126.973 2.109 . . . . 0.0 112.185 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.94 -30.76 67.15 Favored 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 123.421 0.688 . . . . 0.0 112.277 176.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.4 mp -79.33 -22.46 44.5 Favored 'General case' 0 N--CA 1.505 2.322 0 C-N-CA 125.636 1.574 . . . . 0.0 112.588 175.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.416 ' O ' HG22 ' A' ' 21' ' ' ILE . 38.7 mt -109.33 16.8 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.584 2.271 0 C-N-CA 128.089 2.556 . . . . 0.0 108.011 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.67 -76.03 0.33 Allowed Glycine 0 C--N 1.368 2.313 0 CA-C-O 116.835 -2.092 . . . . 0.0 113.786 -175.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -67.99 -2.1 8.15 Favored 'Trans proline' 0 C--N 1.412 3.914 0 CA-C-N 122.2 3.0 . . . . 0.0 116.842 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.64 -20.41 27.87 Favored 'General case' 0 N--CA 1.51 2.551 0 C-N-CA 125.201 1.4 . . . . 0.0 112.501 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.48 94.38 Favored 'General case' 0 N--CA 1.508 2.462 0 C-N-CA 128.257 2.623 . . . . 0.0 116.602 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -91.33 -20.67 21.61 Favored 'General case' 0 C--N 1.386 2.178 0 C-N-CA 124.986 1.315 . . . . 0.0 111.878 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -82.14 160.49 23.1 Favored 'General case' 0 N--CA 1.504 2.265 0 C-N-CA 124.711 1.204 . . . . 0.0 112.636 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.5 -28.49 67.05 Favored 'General case' 0 N--CA 1.514 2.731 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -85.09 130.74 34.56 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 123.945 0.898 . . . . 0.0 112.006 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -100.81 157.98 16.31 Favored 'General case' 0 CA--C 1.574 1.875 0 C-N-CA 124.085 0.954 . . . . 0.0 113.268 -178.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.2 m -98.19 129.08 31.57 Favored Pre-proline 0 C--N 1.391 2.409 0 C-N-CA 123.821 0.848 . . . . 0.0 112.747 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -66.76 -10.84 29.64 Favored 'Trans proline' 1 C--N 1.433 4.985 0 C-N-CA 124.137 3.225 . . . . 0.0 116.704 178.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -105.56 4.97 30.96 Favored 'General case' 0 CA--C 1.578 2.031 0 C-N-CA 124.509 1.124 . . . . 0.0 112.67 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.36 112.05 6.38 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.27 1.028 . . . . 0.0 108.393 179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.82 88.12 6.09 Favored 'General case' 0 C--N 1.371 1.514 0 C-N-CA 118.049 -1.461 . . . . 0.0 109.287 -178.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -82.71 6.3 18.47 Favored 'General case' 0 N--CA 1.499 2.008 0 CA-C-N 113.583 -1.644 . . . . 0.0 113.827 -176.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -79.62 -26.71 41.11 Favored 'General case' 0 C--N 1.369 1.439 0 C-N-CA 123.862 0.865 . . . . 0.0 110.454 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.4 mt -100.03 -6.52 26.34 Favored 'General case' 0 C--N 1.391 2.412 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -119.43 155.26 32.35 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.57 109.16 13.43 Favored 'General case' 0 C--N 1.386 2.157 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 14.8 t -152.71 138.37 17.83 Favored 'General case' 0 C--O 1.252 1.218 0 CA-C-N 113.758 -1.564 . . . . 0.0 108.901 178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -82.6 -31.52 28.87 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 113.927 -1.488 . . . . 0.0 112.889 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.84 79.3 1.33 Allowed Glycine 0 C--N 1.378 2.887 0 N-CA-C 107.557 -2.217 . . . . 0.0 107.557 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.9 -52.8 1.33 Allowed 'General case' 0 C--N 1.38 1.907 0 CA-C-O 121.083 0.468 . . . . 0.0 110.197 -173.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 45.4 ttt180 -175.88 173.18 2.34 Favored 'General case' 0 C--N 1.412 3.313 0 C-N-CA 126.891 2.076 . . . . 0.0 112.448 -174.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.02 -22.03 64.09 Favored 'General case' 0 N--CA 1.535 3.795 0 C-N-CA 125.779 1.632 . . . . 0.0 107.758 169.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.43 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.92 -34.39 78.24 Favored Glycine 0 C--N 1.38 2.99 0 C-N-CA 126.815 2.15 . . . . 0.0 114.443 176.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -21.07 57.79 Favored 'General case' 0 C--N 1.393 2.479 0 CA-C-N 117.65 0.725 . . . . 0.0 111.462 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -82.36 -31.88 29.57 Favored 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 114.495 -1.229 . . . . 0.0 110.764 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.44 -35.02 58.73 Favored 'General case' 0 C--N 1.373 1.612 0 C-N-CA 124.8 1.24 . . . . 0.0 111.707 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.45 -38.38 74.48 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 125.289 1.436 . . . . 0.0 111.176 176.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -71.32 -32.16 68.26 Favored 'General case' 0 C--N 1.388 2.281 0 C-N-CA 123.45 0.7 . . . . 0.0 111.604 177.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.51 -39.04 71.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 125.229 1.581 . . . . 0.0 111.759 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -71.09 -36.41 72.19 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 123.389 0.676 . . . . 0.0 111.579 174.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -72.36 -26.28 61.85 Favored 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 125.59 1.556 . . . . 0.0 112.473 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.9 m -80.32 -29.32 38.09 Favored 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 123.799 0.84 . . . . 0.0 109.751 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 mp -73.23 -41.99 63.09 Favored 'General case' 0 C--N 1.378 1.826 0 C-N-CA 125.268 1.427 . . . . 0.0 111.023 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.7 p -72.57 -34.98 67.84 Favored 'General case' 0 N--CA 1.506 2.354 0 C-N-CA 125.687 1.595 . . . . 0.0 113.608 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -77.25 -36.66 54.27 Favored 'General case' 0 N--CA 1.51 2.527 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -72.03 -30.77 65.52 Favored 'General case' 0 C--N 1.389 2.293 0 C-N-CA 124.811 1.244 . . . . 0.0 111.918 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.5 ' O ' HG22 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -68.79 -32.94 73.03 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 125.684 1.593 . . . . 0.0 111.965 176.447 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.75 -41.07 92.59 Favored 'General case' 0 C--N 1.382 2.01 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.748 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.72 -29.82 70.4 Favored 'General case' 0 C--N 1.395 2.553 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 175.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 61' ' ' GLU . 17.2 m -69.28 -30.71 46.94 Favored 'Isoleucine or valine' 0 C--N 1.391 2.405 0 CA-C-O 121.927 0.87 . . . . 0.0 111.331 178.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -74.62 -9.99 59.1 Favored 'General case' 0 CA--C 1.579 2.06 0 CA-C-N 112.462 -2.154 . . . . 0.0 111.52 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -94.48 -10.17 33.16 Favored 'General case' 0 N--CA 1.5 2.066 0 C-N-CA 125.233 1.413 . . . . 0.0 110.779 175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.65 39.3 8.28 Favored Glycine 0 C--N 1.38 3.007 0 N-CA-C 117.487 1.755 . . . . 0.0 117.487 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.28 93.9 5.06 Favored 'General case' 0 C--N 1.372 1.583 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 176.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.98 -22.42 61.43 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 113.535 -1.666 . . . . 0.0 112.3 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.5 m -70.52 -35.5 73.22 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 125.459 1.504 . . . . 0.0 109.811 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -76.23 -20.97 56.94 Favored 'General case' 0 C--N 1.391 2.407 0 C-N-CA 123.681 0.792 . . . . 0.0 111.603 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.9 t -74.48 -51.13 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 C-N-CA 126.54 1.936 . . . . 0.0 109.407 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.01 80.13 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 126.947 2.099 . . . . 0.0 112.71 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.4 -46.24 87.35 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 125.151 1.38 . . . . 0.0 109.292 173.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.25 -39.01 92.11 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 124.589 1.18 . . . . 0.0 111.831 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.6 -40.45 95.54 Favored 'General case' 0 N--CA 1.513 2.711 0 C-N-CA 124.487 1.115 . . . . 0.0 112.105 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.16 -37.92 75.32 Favored 'General case' 0 N--CA 1.516 2.829 0 C-N-CA 126.324 1.849 . . . . 0.0 111.366 176.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -72.0 -28.81 63.65 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 125.461 1.504 . . . . 0.0 110.714 174.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.91 -46.38 65.52 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 124.452 1.101 . . . . 0.0 111.693 179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.517 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.05 -39.12 83.11 Favored 'General case' 0 C--N 1.386 2.186 0 C-N-CA 124.847 1.259 . . . . 0.0 112.669 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.02 -38.41 85.89 Favored 'General case' 0 C--N 1.385 2.112 0 C-N-CA 125.999 1.72 . . . . 0.0 112.368 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -73.81 -27.35 61.08 Favored 'General case' 0 C--N 1.378 1.827 0 C-N-CA 123.779 0.832 . . . . 0.0 112.743 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 80' ' ' ALA . 29.7 mt -62.94 -45.67 98.28 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.582 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -64.75 -43.09 94.42 Favored 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 124.893 1.277 . . . . 0.0 111.872 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.29 -42.77 62.03 Favored 'General case' 0 C--N 1.378 1.832 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -86.06 -44.52 12.22 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 -175.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 10.4 mt-30 -66.69 -39.58 88.15 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 123.63 0.581 . . . . 0.0 112.115 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.33 -39.86 31.72 Favored 'General case' 0 C--N 1.386 2.167 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -76.35 -29.39 57.21 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 119.084 0.856 . . . . 0.0 110.841 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.36 -26.67 55.91 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 124.192 0.997 . . . . 0.0 109.129 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.39 -31.93 67.85 Favored 'General case' 0 C--N 1.41 3.221 0 C-N-CA 124.393 1.077 . . . . 0.0 113.117 177.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.7 p -85.58 -21.65 28.41 Favored 'General case' 0 C--N 1.382 1.989 0 CA-C-N 119.131 0.878 . . . . 0.0 110.07 175.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.96 -29.18 55.46 Favored 'General case' 0 C--N 1.386 2.184 0 CA-C-N 113.939 -1.482 . . . . 0.0 112.113 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.2 p -77.32 -10.86 59.7 Favored 'General case' 0 N--CA 1.515 2.825 0 C-N-CA 125.942 1.697 . . . . 0.0 112.281 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.2 tt -85.35 -29.6 24.34 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 127.532 2.333 . . . . 0.0 109.657 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -76.87 -0.56 24.57 Favored 'General case' 0 CA--C 1.569 1.709 0 C-N-CA 124.138 0.975 . . . . 0.0 111.568 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -71.18 -10.44 59.76 Favored 'General case' 0 N--CA 1.523 3.218 0 C-N-CA 126.551 1.94 . . . . 0.0 112.126 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -58.16 -42.94 87.04 Favored 'General case' 0 CA--C 1.571 1.773 0 CA-C-N 109.698 -3.41 . . . . 0.0 105.702 168.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -151.46 -42.4 0.11 Allowed 'General case' 1 N--CA 1.541 4.078 0 N-CA-C 119.978 3.325 . . . . 0.0 119.978 178.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -102.82 -19.22 14.77 Favored 'General case' 0 N--CA 1.51 2.564 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -173.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.91 -24.54 21.3 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -72.16 -56.6 5.3 Favored 'General case' 0 C--N 1.384 2.106 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -172.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.0 mt -66.3 -39.41 27.13 Favored Pre-proline 0 N--CA 1.505 2.32 0 N-CA-C 120.003 3.334 . . . . 0.0 120.003 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.76 -24.53 68.68 Favored 'Trans proline' 1 C--N 1.447 5.757 0 CA-C-N 125.129 2.868 . . . . 0.0 114.697 -178.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -127.28 -112.78 1.76 Allowed Glycine 0 N--CA 1.423 -2.231 0 CA-C-N 113.503 -1.68 . . . . 0.0 113.075 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 102.04 -22.03 39.58 Favored Glycine 0 N--CA 1.481 1.672 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 -175.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -121.35 -20.01 6.81 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 127.823 2.449 . . . . 0.0 110.093 177.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.94 -38.65 86.54 Favored 'General case' 0 C--N 1.403 2.905 0 C-N-CA 123.992 0.917 . . . . 0.0 112.522 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -67.62 -35.38 78.82 Favored 'General case' 0 N--CA 1.501 2.104 0 C-N-CA 125.4 1.48 . . . . 0.0 109.794 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -67.92 -36.57 80.38 Favored 'General case' 0 C--N 1.388 2.276 0 C-N-CA 125.873 1.669 . . . . 0.0 111.651 174.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.527 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 5.2 mpt_? -74.28 -49.34 23.53 Favored 'General case' 0 C--N 1.375 1.702 0 C-N-CA 123.537 0.735 . . . . 0.0 111.253 176.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.45 -60.04 4.12 Favored 'General case' 0 CA--C 1.599 2.836 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.08 -42.63 18.94 Favored 'General case' 0 C--N 1.384 2.093 0 N-CA-C 116.704 2.113 . . . . 0.0 116.704 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 42.4 mt-10 -72.23 -33.82 67.86 Favored 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.527 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 5.3 m-85 -66.28 -41.93 89.13 Favored 'General case' 0 C--N 1.393 2.463 0 CA-C-O 118.549 -0.739 . . . . 0.0 112.07 177.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -71.1 -30.97 67.21 Favored 'General case' 0 C--N 1.394 2.525 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -69.93 -42.04 73.8 Favored 'General case' 0 N--CA 1.521 3.085 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -71.64 -35.22 70.33 Favored 'General case' 0 N--CA 1.507 2.412 0 C-N-CA 124.366 1.066 . . . . 0.0 112.039 178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 28.3 mt-10 -73.2 -22.21 60.51 Favored 'General case' 0 C--N 1.383 2.058 0 C-N-CA 125.106 1.362 . . . . 0.0 111.961 177.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.0 mtp180 -69.12 -50.72 45.47 Favored 'General case' 0 N--CA 1.506 2.375 0 C-N-CA 125.905 1.682 . . . . 0.0 113.56 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.23 -37.92 69.05 Favored 'General case' 0 N--CA 1.509 2.484 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 152' ' ' LEU . 20.4 mt -61.13 -33.52 73.52 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 123.646 0.591 . . . . 0.0 110.543 174.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -70.35 -34.28 72.45 Favored 'General case' 0 C--N 1.379 1.877 0 C-N-CA 125.03 1.332 . . . . 0.0 111.917 175.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.74 90.19 Favored 'General case' 0 C--N 1.408 3.11 0 C-N-CA 125.688 1.595 . . . . 0.0 112.611 -177.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.4 mtt -64.16 -39.73 94.62 Favored 'General case' 0 C--N 1.389 2.302 0 O-C-N 124.878 1.361 . . . . 0.0 110.482 176.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -69.04 -37.3 78.51 Favored 'General case' 0 C--N 1.385 2.119 0 C-N-CA 125.014 1.326 . . . . 0.0 110.974 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -65.03 -38.68 91.68 Favored 'General case' 0 C--N 1.4 2.762 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.81 -39.48 80.04 Favored 'General case' 0 N--CA 1.509 2.501 0 C-N-CA 124.415 1.086 . . . . 0.0 111.546 177.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -74.16 -24.83 59.46 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 124.764 1.225 . . . . 0.0 112.315 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -71.94 -34.46 69.03 Favored 'General case' 0 N--CA 1.508 2.471 0 C-N-CA 125.59 1.556 . . . . 0.0 111.176 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -67.0 -38.64 86.36 Favored 'General case' 0 C--N 1.388 2.252 0 C-N-CA 125.129 1.372 . . . . 0.0 110.444 176.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -72.22 -32.86 67.14 Favored 'General case' 0 C--N 1.387 2.238 0 C-N-CA 124.673 1.189 . . . . 0.0 111.993 176.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -69.41 -37.06 77.31 Favored 'General case' 0 C--N 1.391 2.41 0 C-N-CA 124.794 1.238 . . . . 0.0 111.395 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.46 86.54 Favored 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 125.323 1.449 . . . . 0.0 113.418 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -90.71 -39.63 12.32 Favored 'General case' 0 C--N 1.387 2.231 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -106.97 -29.88 9.18 Favored 'General case' 0 C--N 1.398 2.677 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -174.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 56.48 26.94 11.47 Favored 'General case' 0 N--CA 1.532 3.671 0 C-N-CA 127.594 2.358 . . . . 0.0 116.468 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.74 137.72 58.3 Favored Pre-proline 0 N--CA 1.503 2.208 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.4 -14.33 15.79 Favored 'Trans proline' 1 C--N 1.436 5.14 0 C-N-CA 124.709 3.606 . . . . 0.0 116.776 177.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -68.45 -37.92 80.65 Favored 'General case' 0 N--CA 1.527 3.402 0 C-N-CA 124.341 1.056 . . . . 0.0 113.294 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.439 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -78.09 -29.19 48.92 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 126.887 2.075 . . . . 0.0 110.002 -179.194 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.09 -36.8 77.97 Favored 'General case' 0 C--N 1.378 1.807 0 C-N-CA 126.671 1.988 . . . . 0.0 110.045 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.7 -33.52 70.97 Favored 'General case' 0 C--N 1.381 1.969 0 C-N-CA 124.138 0.975 . . . . 0.0 110.82 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -72.12 -42.65 65.81 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 125.107 1.363 . . . . 0.0 114.264 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.1 mt -66.32 -43.32 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.22 0 C-N-CA 125.629 1.571 . . . . 0.0 109.06 177.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 23.0 m -63.12 -41.0 99.24 Favored 'General case' 0 CA--C 1.59 2.505 0 C-N-CA 126.026 1.73 . . . . 0.0 111.43 177.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.78 -39.18 93.43 Favored 'General case' 0 N--CA 1.513 2.69 0 C-N-CA 124.655 1.182 . . . . 0.0 112.165 175.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -74.28 -26.39 60.17 Favored 'General case' 0 C--N 1.381 1.976 0 C-N-CA 124.774 1.23 . . . . 0.0 111.845 176.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.06 -37.36 87.17 Favored 'General case' 0 C--N 1.394 2.517 0 C-N-CA 125.999 1.719 . . . . 0.0 112.425 176.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -75.09 -35.13 61.8 Favored 'General case' 0 C--N 1.389 2.291 0 C-N-CA 124.874 1.27 . . . . 0.0 110.091 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -71.51 -33.66 69.43 Favored 'General case' 0 C--N 1.385 2.123 0 C-N-CA 125.093 1.357 . . . . 0.0 113.121 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 122' ' ' LEU . 0.5 OUTLIER -66.94 -38.13 85.58 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 124.923 1.289 . . . . 0.0 109.934 174.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.5 p -76.6 -37.07 57.03 Favored 'General case' 0 N--CA 1.5 2.065 0 C-N-CA 123.38 0.672 . . . . 0.0 112.303 176.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -73.0 -28.33 62.3 Favored 'General case' 0 N--CA 1.512 2.673 0 C-N-CA 124.139 0.976 . . . . 0.0 113.177 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 8.7 t -73.24 -41.03 64.18 Favored 'General case' 0 C--N 1.384 2.107 0 C-N-CA 123.994 0.918 . . . . 0.0 109.35 177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -59.53 -38.0 79.85 Favored 'General case' 0 C--N 1.394 2.514 0 C-N-CA 125.487 1.515 . . . . 0.0 112.257 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 24.4 m -68.93 -41.37 78.21 Favored 'General case' 0 CA--C 1.58 2.13 0 C-N-CA 125.422 1.489 . . . . 0.0 110.565 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.52 -38.37 84.17 Favored 'General case' 0 C--N 1.38 1.92 0 C-N-CA 126.326 1.851 . . . . 0.0 112.859 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 37.1 mt -66.51 -42.14 89.66 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.898 0 C-N-CA 126.268 1.827 . . . . 0.0 110.12 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.34 -39.11 93.66 Favored 'General case' 0 C--N 1.391 2.384 0 C-N-CA 124.627 1.171 . . . . 0.0 112.924 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.85 -39.32 87.56 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 125.435 1.494 . . . . 0.0 112.981 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 18.0 p -70.99 -29.76 65.82 Favored 'General case' 0 N--CA 1.511 2.581 0 C-N-CA 124.304 1.042 . . . . 0.0 112.033 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -72.41 -28.59 63.07 Favored 'General case' 0 C--N 1.381 1.978 0 C-N-CA 124.861 1.264 . . . . 0.0 111.538 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -68.82 -35.35 76.87 Favored 'General case' 0 N--CA 1.512 2.667 0 C-N-CA 125.227 1.411 . . . . 0.0 111.92 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.31 72.19 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 124.713 1.205 . . . . 0.0 110.211 175.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.03 -30.17 63.54 Favored 'General case' 0 C--N 1.388 2.277 0 C-N-CA 125.501 1.52 . . . . 0.0 111.934 176.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -66.79 -35.13 79.37 Favored 'General case' 0 N--CA 1.508 2.443 0 C-N-CA 126.245 1.818 . . . . 0.0 112.897 177.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -76.28 -16.49 59.78 Favored 'General case' 0 C--N 1.383 2.029 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -107.13 -1.71 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 CA-C-N 119.102 0.864 . . . . 0.0 110.097 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 16.8 m -92.96 -16.76 24.75 Favored 'General case' 0 CA--C 1.575 1.925 0 C-N-CA 126.109 1.764 . . . . 0.0 111.052 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 117.861 -1.066 . . . . 0.0 111.371 -175.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtt . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 119.267 -0.397 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 58.84 67.62 0.91 Allowed 'General case' 0 N--CA 1.53 3.555 0 C-N-CA 127.126 2.17 . . . . 0.0 113.479 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.8 103.76 55.05 Favored Pre-proline 0 CA--C 1.575 1.916 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.957 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -60.88 121.12 9.21 Favored 'Trans proline' 1 C--N 1.43 4.823 0 C-N-CA 123.931 3.087 . . . . 0.0 114.632 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.74 -48.25 4.78 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 123.623 0.769 . . . . 0.0 112.063 179.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -36.91 59.51 Favored 'General case' 0 C--N 1.377 1.773 0 C-N-CA 125.112 1.365 . . . . 0.0 112.585 179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.83 -32.46 70.88 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 124.448 1.099 . . . . 0.0 110.14 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -68.22 -35.83 78.57 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 124.341 1.025 . . . . 0.0 111.467 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.6 m -72.44 -41.23 66.37 Favored 'General case' 0 C--N 1.383 2.037 0 C-N-CA 123.811 0.844 . . . . 0.0 110.972 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.29 -44.55 88.54 Favored 'General case' 0 C--N 1.389 2.306 0 O-C-N 124.333 1.021 . . . . 0.0 112.244 173.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -65.21 -39.79 93.26 Favored 'General case' 0 C--N 1.399 2.721 0 C-N-CA 125.159 1.384 . . . . 0.0 114.648 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.7 m -69.66 -38.22 77.01 Favored 'General case' 0 C--N 1.376 1.743 0 CA-C-O 117.756 -1.116 . . . . 0.0 110.588 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -62.07 -29.3 70.21 Favored 'General case' 0 N--CA 1.509 2.522 0 C-N-CA 124.37 1.068 . . . . 0.0 112.292 176.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.7 t -76.67 -46.66 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.407 0 C-N-CA 125.306 1.442 . . . . 0.0 110.999 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.82 -29.95 67.34 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 123.642 0.777 . . . . 0.0 111.512 176.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.77 -39.62 87.93 Favored 'General case' 0 N--CA 1.512 2.67 0 C-N-CA 125.9 1.68 . . . . 0.0 110.436 172.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -34.98 68.71 Favored 'General case' 0 C--N 1.38 1.928 0 C-N-CA 124.361 1.064 . . . . 0.0 110.84 177.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -60.66 -41.28 94.69 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 127.109 2.164 . . . . 0.0 111.568 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.51 -15.76 58.25 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 124.827 1.251 . . . . 0.0 114.097 178.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.7 -17.13 18.72 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 125.217 1.407 . . . . 0.0 109.547 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.33 16.56 7.96 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.63 0 C-N-CA 126.702 2.001 . . . . 0.0 111.011 177.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.69 -75.46 0.45 Allowed Glycine 0 C--N 1.367 2.298 0 CA-C-O 116.575 -2.236 . . . . 0.0 113.857 -172.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -68.84 -3.15 10.8 Favored 'Trans proline' 1 C--N 1.421 4.362 0 CA-C-N 122.447 3.124 . . . . 0.0 115.1 177.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -88.9 -11.08 45.58 Favored 'General case' 0 C--N 1.383 2.04 0 C-N-CA 126.059 1.744 . . . . 0.0 112.457 179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.608 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -63.41 -42.55 98.76 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 126.544 1.937 . . . . 0.0 115.428 177.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.5 m -90.94 -31.22 16.46 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 124.21 1.004 . . . . 0.0 111.144 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -120.28 103.58 9.35 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 113.702 -1.59 . . . . 0.0 111.354 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -97.57 121.95 40.07 Favored 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 123.398 0.679 . . . . 0.0 112.409 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -124.53 -80.37 0.62 Allowed 'General case' 0 N--CA 1.493 1.683 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.402 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -143.07 105.99 4.52 Favored 'General case' 0 C--N 1.383 2.049 0 C-N-CA 123.795 0.838 . . . . 0.0 110.7 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.5 m -115.07 108.88 47.55 Favored Pre-proline 0 C--N 1.386 2.162 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.115 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -62.93 -31.81 77.03 Favored 'Trans proline' 1 C--N 1.432 4.957 0 C-N-CA 123.976 3.117 . . . . 0.0 116.934 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -104.4 29.1 6.32 Favored 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 125.922 1.689 . . . . 0.0 113.139 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -51.01 111.44 0.56 Allowed 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 125.378 1.471 . . . . 0.0 114.641 -178.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.33 57.29 0.65 Allowed 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 112.535 -2.12 . . . . 0.0 112.02 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -74.54 -33.73 62.81 Favored 'General case' 0 N--CA 1.493 1.71 0 CA-C-N 113.369 -1.742 . . . . 0.0 113.767 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -77.14 -24.39 51.63 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.834 1.253 . . . . 0.0 113.146 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.56 -6.29 40.69 Favored 'General case' 0 C--N 1.384 2.076 0 C-N-CA 122.854 0.462 . . . . 0.0 111.967 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -119.01 154.03 33.72 Favored 'General case' 0 C--N 1.381 1.943 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.43 113.74 19.19 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.7 t -136.3 156.32 48.82 Favored 'General case' 0 N--CA 1.497 1.892 0 CA-C-N 114.867 -1.061 . . . . 0.0 109.854 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -105.83 47.39 0.88 Allowed 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -176.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.22 -69.55 0.47 Allowed Glycine 0 N--CA 1.488 2.161 0 N-CA-C 118.174 2.03 . . . . 0.0 118.174 170.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -173.22 64.9 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 119.202 1.501 . . . . 0.0 110.051 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -139.93 137.35 34.71 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.608 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 2.0 mt -70.92 -26.1 63.06 Favored 'General case' 0 N--CA 1.524 3.264 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 170.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.06 -36.62 92.59 Favored Glycine 0 C--N 1.384 3.236 0 C-N-CA 125.73 1.633 . . . . 0.0 114.088 176.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.43 -21.75 45.13 Favored 'General case' 0 C--N 1.394 2.536 0 C-N-CA 123.318 0.647 . . . . 0.0 111.734 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -81.75 -32.36 31.54 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.223 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.37 -36.0 54.02 Favored 'General case' 0 C--N 1.377 1.801 0 C-N-CA 124.776 1.23 . . . . 0.0 112.504 178.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.33 -34.86 70.93 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.485 1.514 . . . . 0.0 112.187 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -81.0 -28.88 35.32 Favored 'General case' 0 C--N 1.378 1.835 0 C-N-CA 123.618 0.767 . . . . 0.0 110.686 179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.97 -38.57 66.67 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 124.903 1.377 . . . . 0.0 111.582 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.08 -38.01 78.77 Favored 'General case' 0 CA--C 1.575 1.916 0 C-N-CA 124.504 1.122 . . . . 0.0 110.243 175.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -72.86 -25.96 61.29 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 126.087 1.755 . . . . 0.0 112.83 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.3 m -79.51 -28.74 41.37 Favored 'General case' 0 N--CA 1.503 2.202 0 C-N-CA 123.844 0.858 . . . . 0.0 109.812 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.61 -41.83 65.16 Favored 'General case' 0 C--N 1.383 2.053 0 C-N-CA 124.655 1.182 . . . . 0.0 110.525 176.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.4 p -71.47 -32.39 68.24 Favored 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 125.675 1.59 . . . . 0.0 113.84 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -77.83 -41.9 35.5 Favored 'General case' 0 N--CA 1.516 2.869 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 mt -66.63 -34.64 78.33 Favored 'General case' 0 C--N 1.389 2.306 0 C-N-CA 124.603 1.161 . . . . 0.0 110.991 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.468 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 4.8 mt-10 -65.17 -32.4 74.07 Favored 'General case' 0 C--N 1.388 2.247 0 C-N-CA 126.135 1.774 . . . . 0.0 112.298 176.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.3 94.27 Favored 'General case' 0 C--N 1.388 2.278 0 C-N-CA 124.095 0.958 . . . . 0.0 112.944 178.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.14 -29.97 65.9 Favored 'General case' 0 N--CA 1.51 2.556 0 C-N-CA 123.122 0.569 . . . . 0.0 112.117 174.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 52.4 t -60.6 -39.54 81.76 Favored 'Isoleucine or valine' 0 C--N 1.38 1.92 0 C-N-CA 126.581 1.952 . . . . 0.0 110.187 175.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -54.87 -31.95 60.31 Favored 'General case' 0 C--N 1.393 2.495 0 C-N-CA 125.015 1.326 . . . . 0.0 113.104 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -69.41 -37.73 77.59 Favored 'General case' 0 C--N 1.399 2.761 0 C-N-CA 125.569 1.548 . . . . 0.0 112.062 176.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.3 32.19 2.84 Favored Glycine 0 C--N 1.375 2.711 0 N-CA-C 116.136 1.214 . . . . 0.0 116.136 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.26 112.62 21.56 Favored 'General case' 0 C--N 1.378 1.83 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 178.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.55 -30.34 68.13 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 112.959 -1.928 . . . . 0.0 113.03 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.5 m -71.92 -38.23 69.91 Favored 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 124.695 1.198 . . . . 0.0 110.969 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -75.42 -22.93 57.0 Favored 'General case' 0 N--CA 1.508 2.443 0 C-N-CA 123.966 0.906 . . . . 0.0 112.279 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.2 t -77.05 -47.16 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 125.549 1.54 . . . . 0.0 109.802 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.8 -37.11 81.57 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 127.285 2.234 . . . . 0.0 112.673 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.03 -40.16 94.42 Favored 'General case' 0 N--CA 1.5 2.032 0 C-N-CA 126.299 1.84 . . . . 0.0 109.99 173.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 tt -72.72 -38.55 67.42 Favored 'General case' 0 CA--C 1.571 1.78 0 C-N-CA 124.908 1.283 . . . . 0.0 109.64 176.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.77 -41.17 98.02 Favored 'General case' 0 N--CA 1.511 2.583 0 C-N-CA 124.873 1.269 . . . . 0.0 112.537 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.74 -37.8 70.52 Favored 'General case' 0 N--CA 1.514 2.773 0 C-N-CA 125.888 1.675 . . . . 0.0 111.292 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -69.21 -35.65 76.43 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 125.001 1.32 . . . . 0.0 109.6 173.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.66 -45.87 81.29 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 124.703 1.201 . . . . 0.0 112.429 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.45 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.22 -40.72 82.01 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 125.079 1.352 . . . . 0.0 112.666 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.15 81.93 Favored 'General case' 0 C--N 1.39 2.342 0 C-N-CA 125.956 1.702 . . . . 0.0 112.022 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -73.64 -27.1 61.09 Favored 'General case' 0 C--N 1.375 1.688 0 C-N-CA 123.651 0.78 . . . . 0.0 112.559 176.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 32.9 mt -63.34 -46.1 96.4 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.527 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 175.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.0 mt-10 -66.27 -44.92 82.26 Favored 'General case' 0 N--CA 1.505 2.305 0 C-N-CA 124.802 1.241 . . . . 0.0 112.097 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.64 -44.44 56.89 Favored 'General case' 0 C--N 1.378 1.847 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.2 mp -86.22 -42.98 13.35 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 32.4 mt-30 -68.19 -37.88 81.39 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 123.795 0.684 . . . . 0.0 112.059 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.9 mtt180 -79.14 -36.09 41.06 Favored 'General case' 0 C--N 1.391 2.379 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 178.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -76.71 -26.64 54.91 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 119.367 0.985 . . . . 0.0 110.0 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.86 -28.13 55.33 Favored 'General case' 0 C--N 1.389 2.287 0 C-N-CA 124.406 1.082 . . . . 0.0 109.135 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.36 -29.37 63.73 Favored 'General case' 0 C--N 1.406 3.045 0 C-N-CA 125.303 1.441 . . . . 0.0 112.683 178.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 p -85.66 -22.57 27.85 Favored 'General case' 0 C--N 1.379 1.88 0 C-N-CA 124.664 1.186 . . . . 0.0 109.712 175.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.58 -27.48 51.37 Favored 'General case' 0 C--N 1.389 2.291 0 C-N-CA 125.458 1.503 . . . . 0.0 111.897 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.6 p -78.02 -11.23 59.89 Favored 'General case' 0 N--CA 1.514 2.741 0 C-N-CA 125.894 1.678 . . . . 0.0 111.725 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.1 tt -89.86 -28.89 18.96 Favored 'General case' 0 N--CA 1.492 1.643 0 C-N-CA 127.021 2.129 . . . . 0.0 109.242 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -83.51 8.4 14.15 Favored 'General case' 0 CA--C 1.567 1.615 0 C-N-CA 124.683 1.193 . . . . 0.0 111.96 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -79.73 -7.7 58.78 Favored 'General case' 0 N--CA 1.517 2.922 0 CA-C-O 123.608 1.671 . . . . 0.0 110.4 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -62.63 -45.86 90.92 Favored 'General case' 0 CA--C 1.574 1.903 0 CA-C-N 109.855 -3.339 . . . . 0.0 104.358 169.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -148.11 -89.88 0.08 Allowed 'General case' 0 N--CA 1.529 3.478 0 N-CA-C 115.891 1.812 . . . . 0.0 115.891 175.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -31.96 -46.46 0.12 Allowed 'General case' 0 N--CA 1.527 3.411 0 N-CA-C 118.228 2.677 . . . . 0.0 118.228 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.14 -23.42 38.31 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -80.21 -0.51 36.53 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 127.08 2.152 . . . . 0.0 111.81 -176.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.0 mt -62.04 -53.64 57.62 Favored Pre-proline 0 C--N 1.397 2.656 0 CA-C-O 116.003 -1.951 . . . . 0.0 109.981 -172.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -70.22 -39.06 6.0 Favored 'Trans proline' 1 C--N 1.456 6.188 0 CA-C-N 123.79 2.389 . . . . 0.0 110.806 169.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.46 -150.24 19.18 Favored Glycine 0 C--N 1.378 2.864 0 O-C-N 124.219 0.95 . . . . 0.0 113.148 173.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -93.32 4.02 73.18 Favored Glycine 0 N--CA 1.485 1.951 0 N-CA-C 115.716 1.047 . . . . 0.0 115.716 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -69.64 -41.89 74.99 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 124.968 1.307 . . . . 0.0 112.841 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 59.9 mt -74.63 -35.63 62.9 Favored 'General case' 0 C--N 1.377 1.804 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -68.17 -37.75 81.33 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 124.788 1.235 . . . . 0.0 111.331 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.39 -36.85 82.13 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.52 1.528 . . . . 0.0 111.441 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 4.5 mpt_? -73.01 -51.07 19.63 Favored 'General case' 0 C--N 1.376 1.745 0 C-N-CA 123.658 0.783 . . . . 0.0 111.45 176.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mp -63.57 -59.77 4.2 Favored 'General case' 0 CA--C 1.591 2.521 0 N-CA-C 114.849 1.426 . . . . 0.0 114.849 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.45 -45.77 24.68 Favored 'General case' 0 C--N 1.384 2.066 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.82 -37.6 70.32 Favored 'General case' 0 N--CA 1.509 2.522 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.406 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 18.7 m-85 -70.57 -36.85 73.84 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 123.127 0.571 . . . . 0.0 112.427 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -67.14 -39.83 86.64 Favored 'General case' 0 C--N 1.389 2.302 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.66 -41.75 83.29 Favored 'General case' 0 N--CA 1.517 2.875 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -68.92 -36.84 78.48 Favored 'General case' 0 N--CA 1.506 2.37 0 C-N-CA 124.216 1.006 . . . . 0.0 113.048 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.72 -36.78 78.88 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 124.66 1.184 . . . . 0.0 113.019 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -63.85 -42.41 97.58 Favored 'General case' 0 N--CA 1.511 2.604 0 C-N-CA 125.343 1.457 . . . . 0.0 114.753 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -72.9 -39.95 65.94 Favored 'General case' 0 N--CA 1.509 2.51 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.55 -32.93 71.97 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 123.451 0.469 . . . . 0.0 110.571 173.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -32.17 69.39 Favored 'General case' 0 C--N 1.38 1.916 0 C-N-CA 125.061 1.344 . . . . 0.0 112.093 176.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.13 -39.45 86.6 Favored 'General case' 0 C--N 1.408 3.131 0 C-N-CA 125.475 1.51 . . . . 0.0 112.045 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.1 mtt -64.29 -38.05 89.68 Favored 'General case' 0 C--N 1.393 2.461 0 C-N-CA 125.253 1.421 . . . . 0.0 110.925 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -69.31 -35.32 75.86 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 125.64 1.576 . . . . 0.0 110.803 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -69.21 -38.67 78.7 Favored 'General case' 0 N--CA 1.51 2.548 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.76 -40.02 79.96 Favored 'General case' 0 N--CA 1.513 2.698 0 C-N-CA 124.672 1.189 . . . . 0.0 112.389 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -74.39 -20.51 60.04 Favored 'General case' 0 C--N 1.382 2.001 0 C-N-CA 124.661 1.184 . . . . 0.0 111.85 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -79.92 -26.92 39.97 Favored 'General case' 0 C--N 1.384 2.081 0 C-N-CA 124.385 1.074 . . . . 0.0 112.184 176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -67.13 -38.72 86.06 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 124.529 1.132 . . . . 0.0 109.795 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.18 -36.28 74.54 Favored 'General case' 0 C--N 1.392 2.455 0 C-N-CA 124.915 1.286 . . . . 0.0 111.362 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -69.06 -34.47 75.21 Favored 'General case' 0 C--N 1.398 2.677 0 C-N-CA 124.977 1.311 . . . . 0.0 111.695 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.19 -37.5 87.52 Favored 'General case' 0 CA--C 1.57 1.737 0 C-N-CA 125.111 1.364 . . . . 0.0 112.935 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -90.71 -38.99 12.7 Favored 'General case' 0 C--N 1.388 2.279 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -107.74 -29.69 8.97 Favored 'General case' 0 C--N 1.397 2.663 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -174.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.3 m80 57.7 30.83 19.51 Favored 'General case' 0 N--CA 1.532 3.631 0 C-N-CA 127.617 2.367 . . . . 0.0 116.131 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.02 135.96 47.69 Favored Pre-proline 0 N--CA 1.499 1.977 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.08 -14.02 13.62 Favored 'Trans proline' 1 C--N 1.436 5.183 0 C-N-CA 124.919 3.746 . . . . 0.0 116.929 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -68.19 -37.59 81.09 Favored 'General case' 0 N--CA 1.527 3.408 0 C-N-CA 124.402 1.081 . . . . 0.0 113.688 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -79.0 -29.27 43.63 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 126.596 1.959 . . . . 0.0 110.044 -178.788 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.18 -36.62 77.52 Favored 'General case' 0 C--N 1.374 1.645 0 C-N-CA 126.828 2.051 . . . . 0.0 110.228 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.21 -32.83 70.92 Favored 'General case' 0 C--N 1.38 1.923 0 O-C-N 124.209 0.943 . . . . 0.0 110.492 172.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.44 -42.45 65.02 Favored 'General case' 0 N--CA 1.513 2.712 0 C-N-CA 125.102 1.361 . . . . 0.0 114.144 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 3.5 mt -65.28 -44.97 94.87 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.576 0 C-N-CA 125.205 1.402 . . . . 0.0 109.184 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.9 m -61.41 -42.54 98.9 Favored 'General case' 0 CA--C 1.587 2.381 0 C-N-CA 126.32 1.848 . . . . 0.0 111.62 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.45 97.6 Favored 'General case' 0 N--CA 1.514 2.738 0 C-N-CA 124.474 1.109 . . . . 0.0 112.549 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 14.8 mt -73.46 -28.73 62.1 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 124.895 1.278 . . . . 0.0 112.113 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -37.58 87.85 Favored 'General case' 0 C--N 1.392 2.437 0 C-N-CA 126.135 1.774 . . . . 0.0 112.384 178.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -74.25 -33.79 63.43 Favored 'General case' 0 C--N 1.386 2.189 0 C-N-CA 125.921 1.688 . . . . 0.0 109.792 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -70.16 -34.44 73.02 Favored 'General case' 0 C--N 1.386 2.171 0 C-N-CA 125.457 1.503 . . . . 0.0 112.455 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.4 -38.69 91.91 Favored 'General case' 0 C--N 1.381 1.96 0 C-N-CA 124.27 1.028 . . . . 0.0 110.304 174.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.4 p -76.89 -39.13 52.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 123.931 0.769 . . . . 0.0 112.463 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -71.55 -36.26 70.9 Favored 'General case' 0 N--CA 1.513 2.689 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 82.7 m -71.77 -38.51 70.34 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 123.839 0.855 . . . . 0.0 111.446 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -62.42 -38.34 89.33 Favored 'General case' 0 C--N 1.394 2.5 0 C-N-CA 125.25 1.42 . . . . 0.0 112.429 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 25.3 m -69.95 -41.84 74.01 Favored 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 125.17 1.388 . . . . 0.0 111.034 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.84 -38.38 83.09 Favored 'General case' 0 C--N 1.38 1.892 0 C-N-CA 126.141 1.777 . . . . 0.0 113.102 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 20.7 mt -69.91 -40.38 78.7 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.833 0 C-N-CA 126.033 1.733 . . . . 0.0 110.228 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.91 99.68 Favored 'General case' 0 C--N 1.389 2.315 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.53 -40.91 76.62 Favored 'General case' 0 N--CA 1.512 2.65 0 C-N-CA 124.639 1.176 . . . . 0.0 113.763 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.1 p -71.57 -35.53 70.62 Favored 'General case' 0 N--CA 1.507 2.423 0 C-N-CA 124.317 1.047 . . . . 0.0 112.757 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.31 -35.56 68.66 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 124.252 1.021 . . . . 0.0 112.548 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -65.56 -38.94 91.02 Favored 'General case' 0 N--CA 1.515 2.788 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.433 ' O ' HG12 ' A' ' 169' ' ' ILE . . . -71.77 -33.65 68.79 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 124.312 1.045 . . . . 0.0 111.037 178.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -77.14 -32.26 56.21 Favored 'General case' 0 C--N 1.387 2.238 0 C-N-CA 125.893 1.677 . . . . 0.0 112.943 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.44 -26.41 60.93 Favored 'General case' 0 N--CA 1.503 2.203 0 C-N-CA 125.257 1.423 . . . . 0.0 113.115 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.77 -14.92 43.75 Favored 'General case' 0 C--N 1.383 2.044 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -178.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 165' ' ' ALA . 1.0 OUTLIER -101.74 -10.56 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 C-N-CA 123.616 0.767 . . . . 0.0 112.034 -177.54 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.2 t -97.81 7.77 45.82 Favored 'General case' 0 CA--C 1.581 2.154 0 C-N-CA 125.07 1.348 . . . . 0.0 111.359 178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 . . . . . 0 C--N 1.379 1.878 0 CA-C-O 117.96 -1.019 . . . . 0.0 111.853 -177.403 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mtt . . . . . 0 N--CA 1.499 2.006 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -102.14 -29.57 11.65 Favored 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 123.946 0.898 . . . . 0.0 113.279 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.46 82.54 0.23 Allowed Pre-proline 0 N--CA 1.525 3.297 0 C-N-CA 126.884 2.074 . . . . 0.0 111.824 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -62.25 108.73 0.72 Allowed 'Trans proline' 1 C--N 1.433 5.018 0 C-N-CA 123.493 2.795 . . . . 0.0 114.188 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -96.91 -41.03 8.61 Favored 'General case' 0 N--CA 1.503 2.195 0 C-N-CA 123.338 0.655 . . . . 0.0 112.272 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.23 -37.78 52.56 Favored 'General case' 0 C--N 1.373 1.593 0 C-N-CA 124.861 1.264 . . . . 0.0 111.873 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -31.75 70.64 Favored 'General case' 0 C--N 1.38 1.925 0 C-N-CA 124.967 1.307 . . . . 0.0 111.31 178.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 81' ' ' ALA . 4.9 mt-30 -69.36 -38.04 77.91 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 124.716 1.26 . . . . 0.0 111.607 175.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.3 m -71.16 -41.27 70.62 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 123.729 0.812 . . . . 0.0 111.093 177.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.91 -44.58 91.31 Favored 'General case' 0 C--N 1.389 2.298 0 O-C-N 124.237 0.961 . . . . 0.0 111.838 173.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -65.71 -40.2 92.01 Favored 'General case' 0 C--N 1.4 2.763 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -69.55 -38.8 77.61 Favored 'General case' 0 C--N 1.376 1.728 0 CA-C-O 117.835 -1.079 . . . . 0.0 110.611 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.93 -30.2 71.37 Favored 'General case' 0 N--CA 1.503 2.181 0 C-N-CA 123.99 0.916 . . . . 0.0 111.788 176.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.5 t -75.83 -46.76 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.335 0 C-N-CA 125.505 1.522 . . . . 0.0 111.59 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.99 -29.84 68.12 Favored 'General case' 0 N--CA 1.506 2.364 0 C-N-CA 123.668 0.787 . . . . 0.0 111.712 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.21 90.04 Favored 'General case' 0 N--CA 1.512 2.655 0 C-N-CA 126.251 1.82 . . . . 0.0 110.837 171.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.4 mt -70.0 -37.88 75.82 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 124.188 0.995 . . . . 0.0 110.765 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -59.54 -40.77 88.29 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 127.435 2.294 . . . . 0.0 112.222 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.26 -16.1 58.13 Favored 'General case' 0 N--CA 1.505 2.297 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 177.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -97.36 -19.78 18.27 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 125.477 1.511 . . . . 0.0 110.187 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.79 11.35 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 127.066 2.146 . . . . 0.0 112.129 178.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.1 -67.09 2.11 Favored Glycine 0 N--CA 1.497 2.756 0 N-CA-C 117.397 1.719 . . . . 0.0 117.397 -170.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -69.09 -8.96 25.04 Favored 'Trans proline' 0 C--N 1.412 3.871 0 CA-C-N 122.004 2.902 . . . . 0.0 117.164 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.25 -50.41 10.97 Favored 'General case' 0 C--N 1.375 1.704 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -176.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.72 -10.92 59.93 Favored 'General case' 0 N--CA 1.511 2.611 0 N-CA-C 115.968 1.84 . . . . 0.0 115.968 -178.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.12 -2.67 57.53 Favored 'General case' 0 CA--C 1.573 1.831 0 C-N-CA 124.053 0.941 . . . . 0.0 111.457 176.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -102.01 -104.15 0.26 Allowed 'General case' 0 C--N 1.38 1.9 0 C-N-CA 124.991 1.316 . . . . 0.0 111.605 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -136.37 -42.82 0.62 Allowed 'General case' 0 N--CA 1.505 2.293 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -97.24 141.34 30.47 Favored 'General case' 0 N--CA 1.504 2.226 0 C-N-CA 124.229 1.011 . . . . 0.0 113.578 -177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -89.72 155.97 18.85 Favored 'General case' 0 CA--C 1.575 1.913 0 C-N-CA 124.28 1.032 . . . . 0.0 112.597 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.64 138.8 19.95 Favored Pre-proline 0 C--N 1.391 2.391 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -177.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -66.94 -10.22 27.69 Favored 'Trans proline' 1 C--N 1.437 5.205 0 C-N-CA 124.389 3.392 . . . . 0.0 117.146 178.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -100.0 18.13 19.26 Favored 'General case' 0 N--CA 1.503 2.213 0 C-N-CA 124.753 1.221 . . . . 0.0 113.521 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -72.56 112.18 8.39 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.67 175.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.48 93.41 9.4 Favored 'General case' 0 C--N 1.371 1.531 0 C-N-CA 119.238 -0.985 . . . . 0.0 109.574 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.41 -2.0 51.77 Favored 'General case' 0 N--CA 1.498 1.944 0 CA-C-N 113.67 -1.605 . . . . 0.0 113.868 -176.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -80.11 -30.61 39.16 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 123.326 0.651 . . . . 0.0 111.091 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 mt -102.16 -3.82 26.84 Favored 'General case' 0 C--N 1.388 2.248 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -120.12 154.93 34.01 Favored 'General case' 0 C--N 1.382 2.017 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -177.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.0 108.96 13.51 Favored 'General case' 0 C--N 1.385 2.115 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.7 t -152.93 169.09 23.7 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-N 113.486 -1.688 . . . . 0.0 108.726 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -113.46 -31.9 6.39 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.511 0.724 . . . . 0.0 111.466 -178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.28 83.58 1.11 Allowed Glycine 0 C--N 1.381 3.036 0 N-CA-C 107.594 -2.202 . . . . 0.0 107.594 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.15 -55.94 1.18 Allowed 'General case' 0 C--N 1.385 2.151 0 CA-C-N 117.329 0.564 . . . . 0.0 111.147 -173.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -177.6 173.63 1.62 Allowed 'General case' 0 C--N 1.412 3.303 0 C-N-CA 126.973 2.109 . . . . 0.0 112.214 -174.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.83 -21.66 62.43 Favored 'General case' 0 C--N 1.42 3.652 0 C-N-CA 125.042 1.337 . . . . 0.0 108.201 171.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.86 -35.29 74.63 Favored Glycine 0 C--N 1.383 3.172 0 C-N-CA 126.07 1.795 . . . . 0.0 113.757 176.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.97 -21.57 54.52 Favored 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 123.254 0.622 . . . . 0.0 111.804 178.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -82.19 -31.1 30.57 Favored 'General case' 0 N--CA 1.505 2.291 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.238 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mt -75.48 -36.38 60.65 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 125.482 1.513 . . . . 0.0 111.84 175.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -29.61 67.27 Favored 'General case' 0 C--N 1.368 1.387 0 C-N-CA 126.189 1.796 . . . . 0.0 111.119 175.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -79.82 -31.67 40.66 Favored 'General case' 0 C--N 1.382 2.004 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.21 -39.09 68.83 Favored 'General case' 0 C--N 1.375 1.688 0 CA-C-N 113.526 -1.67 . . . . 0.0 111.913 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -37.29 74.21 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 123.518 0.727 . . . . 0.0 111.163 174.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -71.75 -26.8 62.6 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 125.624 1.57 . . . . 0.0 113.003 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.8 m -80.22 -30.02 38.56 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 123.53 0.732 . . . . 0.0 110.03 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.73 -41.96 64.64 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 125.529 1.532 . . . . 0.0 110.382 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -72.35 -30.93 65.19 Favored 'General case' 0 N--CA 1.508 2.429 0 C-N-CA 125.898 1.679 . . . . 0.0 113.196 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -76.7 -36.51 57.18 Favored 'General case' 0 N--CA 1.509 2.498 0 C-N-CA 123.687 0.795 . . . . 0.0 112.875 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -70.51 -33.11 70.83 Favored 'General case' 0 C--N 1.388 2.256 0 C-N-CA 124.955 1.302 . . . . 0.0 111.403 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -34.59 78.51 Favored 'General case' 0 C--N 1.386 2.158 0 C-N-CA 126.447 1.899 . . . . 0.0 112.231 176.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.6 87.88 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 123.484 0.714 . . . . 0.0 111.145 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.97 -27.89 69.14 Favored 'General case' 0 C--N 1.395 2.55 0 C-N-CA 125.275 1.43 . . . . 0.0 113.32 173.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.36 -39.79 86.6 Favored 'Isoleucine or valine' 0 C--N 1.384 2.087 0 C-N-CA 125.42 1.488 . . . . 0.0 108.927 175.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -68.87 -11.29 60.37 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 126.227 1.811 . . . . 0.0 112.405 175.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -87.25 -39.21 15.63 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 172.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.35 37.44 1.21 Allowed Glycine 0 C--N 1.381 3.072 0 N-CA-C 116.657 1.423 . . . . 0.0 116.657 171.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.93 107.8 20.32 Favored 'General case' 0 C--N 1.375 1.709 0 CA-C-O 121.786 0.803 . . . . 0.0 109.633 177.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.43 -22.57 61.08 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-N 113.719 -1.582 . . . . 0.0 112.57 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.7 m -71.05 -36.38 72.3 Favored 'General case' 0 CA--C 1.574 1.866 0 C-N-CA 125.336 1.455 . . . . 0.0 110.368 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.68 -22.32 56.8 Favored 'General case' 0 C--N 1.392 2.421 0 C-N-CA 124.075 0.95 . . . . 0.0 111.802 178.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.0 t -75.38 -49.21 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 C-N-CA 126.722 2.009 . . . . 0.0 109.714 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.13 79.25 Favored 'General case' 0 C--N 1.38 1.899 0 C-N-CA 127.064 2.146 . . . . 0.0 112.512 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.88 -45.97 90.05 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 124.872 1.269 . . . . 0.0 108.836 172.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.83 -39.08 93.38 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 125.002 1.439 . . . . 0.0 111.354 175.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.15 95.22 Favored 'General case' 0 N--CA 1.511 2.614 0 C-N-CA 124.857 1.263 . . . . 0.0 111.819 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.84 -35.72 72.56 Favored 'General case' 0 N--CA 1.517 2.905 0 C-N-CA 126.202 1.801 . . . . 0.0 111.065 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -70.84 -30.12 66.45 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 126.127 1.771 . . . . 0.0 110.31 174.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.18 -43.66 64.22 Favored 'General case' 0 C--N 1.379 1.875 0 C-N-CA 124.701 1.2 . . . . 0.0 111.652 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.09 -38.96 82.92 Favored 'General case' 0 C--N 1.39 2.345 0 C-N-CA 125.298 1.439 . . . . 0.0 112.122 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' HB2' HE21 ' A' ' 8' ' ' GLN . . . -65.76 -37.46 86.42 Favored 'General case' 0 C--N 1.387 2.2 0 C-N-CA 126.294 1.838 . . . . 0.0 111.672 176.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -73.44 -27.46 61.44 Favored 'General case' 0 C--N 1.378 1.824 0 C-N-CA 124.03 0.932 . . . . 0.0 112.613 176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 80' ' ' ALA . 37.8 mt -62.9 -46.27 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.566 0 C-N-CA 123.157 0.583 . . . . 0.0 109.83 175.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.58 -43.58 84.55 Favored 'General case' 0 N--CA 1.509 2.512 0 C-N-CA 125.296 1.439 . . . . 0.0 111.955 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.29 -42.91 64.99 Favored 'General case' 0 C--N 1.377 1.788 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.3 -45.51 11.18 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -176.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.469 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 17.0 mt-30 -64.2 -38.81 92.39 Favored 'General case' 0 N--CA 1.505 2.301 0 CA-C-N 119.141 0.882 . . . . 0.0 112.572 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -78.55 -43.68 26.05 Favored 'General case' 0 CA--C 1.593 2.619 0 N-CA-C 115.038 1.495 . . . . 0.0 115.038 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -76.54 -31.97 57.94 Favored 'General case' 0 N--CA 1.514 2.744 0 CA-C-N 118.843 0.747 . . . . 0.0 111.004 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.51 -22.37 51.28 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 124.801 1.241 . . . . 0.0 109.459 174.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 87' ' ' GLN . . . -63.23 -41.8 99.14 Favored 'General case' 0 C--N 1.427 3.946 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.8 p -77.23 -29.96 54.35 Favored 'General case' 0 C--N 1.396 2.594 0 C-N-CA 123.908 0.883 . . . . 0.0 111.008 175.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.72 -25.74 60.81 Favored 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 124.224 1.01 . . . . 0.0 113.146 173.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 m -59.42 -17.41 30.49 Favored 'General case' 0 C--N 1.413 3.343 0 C-N-CA 126.516 1.926 . . . . 0.0 112.86 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -0.82 0.09 Allowed 'General case' 0 N--CA 1.526 3.361 0 C-N-CA 127.394 2.278 . . . . 0.0 114.412 173.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -69.39 31.96 0.03 OUTLIER 'General case' 0 N--CA 1.525 3.287 0 C-N-CA 127.661 2.384 . . . . 0.0 113.574 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -115.04 -35.42 4.74 Favored 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 128.463 2.705 . . . . 0.0 113.012 -178.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -75.14 0.3 Allowed 'General case' 0 C--N 1.379 1.884 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 -173.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -142.38 -97.37 0.12 Allowed 'General case' 0 N--CA 1.524 3.275 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 -177.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -63.56 -21.89 66.59 Favored 'General case' 0 N--CA 1.514 2.739 0 C-N-CA 125.998 1.719 . . . . 0.0 115.115 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.73 -28.38 50.77 Favored 'General case' 0 CA--C 1.569 1.684 0 C-N-CA 125.741 1.616 . . . . 0.0 112.837 177.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -65.76 -54.01 32.78 Favored 'General case' 0 N--CA 1.515 2.809 0 C-N-CA 125.491 1.516 . . . . 0.0 114.303 -177.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.89 -41.73 86.92 Favored Pre-proline 0 C--N 1.385 2.113 0 N-CA-C 121.002 3.704 . . . . 0.0 121.002 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.8 -29.86 28.08 Favored 'Trans proline' 1 C--N 1.442 5.493 0 CA-C-N 126.043 3.194 . . . . 0.0 114.585 -177.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.49 -124.78 5.34 Favored Glycine 0 C--N 1.368 2.328 0 O-C-N 125.687 1.867 . . . . 0.0 111.716 176.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.92 -49.19 2.5 Favored Glycine 0 N--CA 1.483 1.83 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -103.62 -32.03 9.62 Favored 'General case' 0 CA--C 1.57 1.737 0 C-N-CA 126.811 2.044 . . . . 0.0 110.22 177.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.9 mt -73.51 -28.43 61.9 Favored 'General case' 0 N--CA 1.51 2.561 0 C-N-CA 125.363 1.465 . . . . 0.0 114.417 -179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -69.9 -30.58 68.04 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 124.553 1.141 . . . . 0.0 110.2 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -68.32 -34.0 75.33 Favored 'General case' 0 C--N 1.386 2.155 0 C-N-CA 125.961 1.705 . . . . 0.0 111.4 174.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 6.0 mpt_? -76.36 -48.92 18.25 Favored 'General case' 0 C--N 1.385 2.119 0 C-N-CA 123.209 0.603 . . . . 0.0 110.537 177.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 mp -61.12 -60.95 2.95 Favored 'General case' 0 CA--C 1.599 2.831 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -79.41 -43.15 23.91 Favored 'General case' 0 C--N 1.385 2.143 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 42.8 mt-10 -72.05 -35.4 69.31 Favored 'General case' 0 N--CA 1.513 2.68 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.9 m-85 -66.0 -44.28 85.26 Favored 'General case' 0 C--N 1.391 2.374 0 CA-C-N 118.61 0.641 . . . . 0.0 112.211 178.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.26 -38.56 75.16 Favored 'General case' 0 C--N 1.391 2.379 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.5 -41.03 80.63 Favored 'General case' 0 N--CA 1.522 3.161 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -67.54 -34.86 77.95 Favored 'General case' 0 N--CA 1.505 2.318 0 C-N-CA 124.461 1.104 . . . . 0.0 111.691 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.18 -29.4 66.27 Favored 'General case' 0 C--N 1.382 1.994 0 C-N-CA 125.071 1.348 . . . . 0.0 112.38 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.79 -44.09 91.09 Favored 'General case' 0 N--CA 1.516 2.838 0 C-N-CA 125.153 1.381 . . . . 0.0 113.908 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -73.5 -39.88 64.51 Favored 'General case' 0 N--CA 1.509 2.517 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.52 -33.15 72.23 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 123.694 0.622 . . . . 0.0 110.271 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.0 -34.06 71.01 Favored 'General case' 0 C--N 1.381 1.939 0 C-N-CA 124.93 1.292 . . . . 0.0 111.783 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.83 91.38 Favored 'General case' 0 C--N 1.41 3.222 0 C-N-CA 125.593 1.557 . . . . 0.0 112.427 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 63.8 mtt -63.68 -39.74 95.08 Favored 'General case' 0 C--N 1.393 2.488 0 O-C-N 125.005 1.44 . . . . 0.0 110.621 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 89.9 mttt -68.55 -39.06 81.25 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 124.755 1.222 . . . . 0.0 109.891 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.66 -38.15 90.03 Favored 'General case' 0 C--N 1.401 2.839 0 C-N-CA 125.541 1.536 . . . . 0.0 114.611 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.94 -39.42 83.45 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 124.389 1.076 . . . . 0.0 110.958 176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -77.54 -21.68 52.22 Favored 'General case' 0 C--N 1.383 2.055 0 C-N-CA 124.562 1.145 . . . . 0.0 112.507 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 38.3 mt-10 -70.43 -36.18 73.82 Favored 'General case' 0 N--CA 1.513 2.678 0 C-N-CA 125.47 1.508 . . . . 0.0 110.728 175.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -66.73 -39.44 87.98 Favored 'General case' 0 C--N 1.387 2.237 0 C-N-CA 124.67 1.188 . . . . 0.0 110.709 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.89 -36.43 75.44 Favored 'General case' 0 C--N 1.392 2.424 0 C-N-CA 125.002 1.321 . . . . 0.0 112.002 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -69.27 -37.5 77.93 Favored 'General case' 0 C--N 1.39 2.359 0 C-N-CA 125.385 1.474 . . . . 0.0 112.085 177.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.19 85.79 Favored 'General case' 0 CA--C 1.571 1.752 0 C-N-CA 124.99 1.316 . . . . 0.0 113.39 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -89.79 -39.67 12.97 Favored 'General case' 0 C--N 1.386 2.158 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -106.0 -29.8 9.71 Favored 'General case' 0 C--N 1.393 2.485 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -175.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 33.9 m80 55.02 29.48 12.44 Favored 'General case' 0 N--CA 1.532 3.659 0 C-N-CA 127.423 2.289 . . . . 0.0 116.676 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.93 139.16 49.7 Favored Pre-proline 0 N--CA 1.503 2.214 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -56.03 -14.9 12.43 Favored 'Trans proline' 1 C--N 1.437 5.222 0 C-N-CA 124.839 3.693 . . . . 0.0 116.97 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -68.06 -39.11 83.07 Favored 'General case' 0 N--CA 1.53 3.527 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.484 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -77.81 -29.7 50.85 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 126.953 2.101 . . . . 0.0 109.85 -179.231 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.33 81.36 Favored 'General case' 0 C--N 1.376 1.73 0 C-N-CA 126.793 2.037 . . . . 0.0 110.524 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.13 -33.82 72.3 Favored 'General case' 0 C--N 1.382 1.985 0 O-C-N 124.15 0.906 . . . . 0.0 110.987 173.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.2 -42.94 65.21 Favored 'General case' 0 N--CA 1.51 2.553 0 C-N-CA 125.243 1.417 . . . . 0.0 114.756 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.0 mt -67.33 -42.0 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.192 0 C-N-CA 125.359 1.463 . . . . 0.0 109.099 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.9 m -62.59 -42.06 99.34 Favored 'General case' 0 CA--C 1.587 2.389 0 C-N-CA 125.983 1.713 . . . . 0.0 111.074 176.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.81 95.46 Favored 'General case' 0 N--CA 1.512 2.657 0 C-N-CA 124.621 1.169 . . . . 0.0 112.118 175.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 22.6 mt -73.17 -27.93 61.93 Favored 'General case' 0 C--N 1.38 1.912 0 C-N-CA 125.303 1.441 . . . . 0.0 112.017 177.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -37.9 89.07 Favored 'General case' 0 C--N 1.391 2.408 0 C-N-CA 126.286 1.835 . . . . 0.0 112.57 177.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -75.77 -34.05 60.23 Favored 'General case' 0 C--N 1.388 2.246 0 C-N-CA 125.29 1.436 . . . . 0.0 110.111 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -71.54 -33.87 69.52 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.086 1.355 . . . . 0.0 112.634 178.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -38.38 87.69 Favored 'General case' 0 C--N 1.38 1.898 0 C-N-CA 124.885 1.274 . . . . 0.0 110.32 174.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.4 p -76.05 -38.24 57.36 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 123.718 0.636 . . . . 0.0 112.071 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -72.34 -28.95 63.38 Favored 'General case' 0 N--CA 1.514 2.752 0 C-N-CA 124.072 0.949 . . . . 0.0 113.326 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 5.4 t -74.19 -39.47 63.15 Favored 'General case' 0 C--N 1.384 2.08 0 C-N-CA 123.9 0.88 . . . . 0.0 109.844 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -60.62 -37.38 81.27 Favored 'General case' 0 C--N 1.391 2.409 0 C-N-CA 125.516 1.526 . . . . 0.0 112.318 177.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 5.5 m -71.13 -40.87 71.16 Favored 'General case' 0 CA--C 1.58 2.109 0 C-N-CA 125.116 1.366 . . . . 0.0 110.471 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.62 86.18 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 126.348 1.859 . . . . 0.0 113.111 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 28.4 mt -66.98 -40.8 86.4 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.011 0 C-N-CA 126.378 1.871 . . . . 0.0 109.96 175.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.4 99.34 Favored 'General case' 0 C--N 1.391 2.389 0 C-N-CA 124.754 1.221 . . . . 0.0 113.445 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.98 -39.81 83.24 Favored 'General case' 0 N--CA 1.515 2.784 0 C-N-CA 125.185 1.394 . . . . 0.0 113.0 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.4 p -70.83 -32.41 69.44 Favored 'General case' 0 N--CA 1.509 2.48 0 C-N-CA 124.654 1.182 . . . . 0.0 112.396 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -72.67 -31.32 64.98 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 124.918 1.287 . . . . 0.0 112.271 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -67.51 -38.57 84.47 Favored 'General case' 0 N--CA 1.511 2.616 0 C-N-CA 125.0 1.32 . . . . 0.0 113.119 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.506 ' O ' HG13 ' A' ' 169' ' ' ILE . . . -69.3 -37.06 77.63 Favored 'General case' 0 C--N 1.378 1.818 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.072 177.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 9.0 mt -70.29 -29.23 65.93 Favored 'General case' 0 C--N 1.392 2.454 0 C-N-CA 125.684 1.593 . . . . 0.0 112.25 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -71.24 -29.11 64.71 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.413 1.485 . . . . 0.0 112.553 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.83 -24.02 23.84 Favored 'General case' 0 C--N 1.385 2.142 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -177.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 165' ' ' ALA . 0.6 OUTLIER -109.17 11.3 8.92 Favored 'Isoleucine or valine' 0 C--N 1.381 1.972 0 CA-C-O 121.03 0.443 . . . . 0.0 110.058 -175.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 97.5 m -49.91 -41.1 45.25 Favored 'General case' 0 C--N 1.382 2.016 0 O-C-N 125.48 1.737 . . . . 0.0 108.731 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 . . . . . 0 N--CA 1.491 1.59 0 CA-C-N 113.473 -1.694 . . . . 0.0 111.58 178.246 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 mmt . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 120.778 0.323 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 57.56 68.57 0.83 Allowed 'General case' 0 N--CA 1.534 3.775 0 C-N-CA 127.146 2.178 . . . . 0.0 113.683 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 p -109.25 118.52 50.81 Favored Pre-proline 0 CA--C 1.579 2.064 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.735 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -61.64 119.96 7.35 Favored 'Trans proline' 1 C--N 1.435 5.079 0 C-N-CA 123.893 3.062 . . . . 0.0 114.881 177.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mt -100.22 -47.08 5.08 Favored 'General case' 0 N--CA 1.504 2.227 0 C-N-CA 123.567 0.747 . . . . 0.0 111.85 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -37.42 54.03 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 125.199 1.399 . . . . 0.0 112.677 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -31.93 70.16 Favored 'General case' 0 C--N 1.38 1.924 0 C-N-CA 124.386 1.074 . . . . 0.0 110.685 178.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -69.08 -35.79 76.91 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.143 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -71.92 -41.29 68.05 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 124.117 0.967 . . . . 0.0 111.095 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 mt -58.33 -43.3 88.18 Favored 'General case' 0 C--N 1.391 2.41 0 C-N-CA 124.296 1.038 . . . . 0.0 112.126 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -65.83 -38.27 88.43 Favored 'General case' 0 C--N 1.4 2.771 0 C-N-CA 124.729 1.212 . . . . 0.0 114.088 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -67.97 -38.11 82.35 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.839 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.72 -30.06 70.52 Favored 'General case' 0 N--CA 1.512 2.632 0 C-N-CA 124.493 1.117 . . . . 0.0 112.274 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.5 t -76.28 -46.42 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.429 0 C-N-CA 124.859 1.264 . . . . 0.0 110.245 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.94 -27.4 64.73 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 123.928 0.891 . . . . 0.0 111.057 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.469 ' O ' HD23 ' A' ' 20' ' ' LEU . . . -64.55 -39.48 93.83 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 125.84 1.656 . . . . 0.0 109.505 170.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.94 -25.43 61.03 Favored 'General case' 0 N--CA 1.511 2.58 0 C-N-CA 125.075 1.35 . . . . 0.0 111.604 177.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -68.06 -39.01 83.09 Favored 'General case' 0 N--CA 1.513 2.718 0 C-N-CA 125.404 1.482 . . . . 0.0 111.556 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 p -88.13 -22.08 24.29 Favored 'General case' 0 CA--C 1.561 1.397 0 N-CA-C 116.519 2.044 . . . . 0.0 116.519 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD23 ' O ' ' A' ' 16' ' ' ALA . 3.7 mm? -94.13 -15.54 24.59 Favored 'General case' 0 N--CA 1.501 2.089 0 C-N-CA 126.236 1.815 . . . . 0.0 112.908 -176.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.4 mt -108.0 -71.95 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.841 0 N-CA-C 100.496 -3.891 . . . . 0.0 100.496 172.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.39 -95.57 0.01 OUTLIER Glycine 0 N--CA 1.49 2.28 0 O-C-N 127.569 3.043 . . . . 0.0 112.371 175.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -64.64 -8.68 18.12 Favored 'Trans proline' 1 C--N 1.419 4.276 0 C-N-CA 123.613 2.875 . . . . 0.0 115.696 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 mp -89.62 -4.65 57.71 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 126.351 1.86 . . . . 0.0 112.262 179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.636 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -61.97 -41.31 97.87 Favored 'General case' 0 N--CA 1.51 2.561 0 C-N-CA 126.951 2.1 . . . . 0.0 116.275 175.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 44' ' ' ALA . 3.8 m -91.28 -32.98 15.52 Favored 'General case' 0 C--N 1.394 2.522 0 C-N-CA 124.227 1.011 . . . . 0.0 112.101 -177.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -106.41 127.83 53.58 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-N 113.833 -1.531 . . . . 0.0 112.214 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -81.64 116.86 21.58 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 121.688 0.756 . . . . 0.0 112.951 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -131.96 168.12 18.45 Favored 'General case' 0 N--CA 1.499 2.006 0 C-N-CA 125.621 1.568 . . . . 0.0 110.822 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -80.39 95.97 6.56 Favored 'General case' 0 CA--C 1.586 2.338 0 C-N-CA 124.401 1.08 . . . . 0.0 113.26 -178.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.2 m -114.16 118.58 41.95 Favored Pre-proline 0 C--N 1.38 1.906 0 CA-C-O 118.702 -0.666 . . . . 0.0 110.729 176.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.51 -24.84 78.81 Favored 'Trans proline' 1 C--N 1.432 4.944 0 C-N-CA 124.037 3.158 . . . . 0.0 116.296 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -105.25 26.86 8.85 Favored 'General case' 0 CA--C 1.582 2.209 0 C-N-CA 124.359 1.063 . . . . 0.0 113.3 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.07 106.45 3.72 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 123.209 0.603 . . . . 0.0 109.423 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.64 93.57 4.01 Favored 'General case' 0 C--N 1.369 1.453 0 CA-C-O 122.023 0.916 . . . . 0.0 110.7 179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -82.82 -11.0 58.59 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 113.598 -1.637 . . . . 0.0 113.788 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -80.24 -23.15 41.04 Favored 'General case' 0 N--CA 1.503 2.21 0 C-N-CA 123.961 0.905 . . . . 0.0 112.24 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.87 -3.42 42.01 Favored 'General case' 0 C--N 1.382 2.007 0 C-N-CA 124.357 1.063 . . . . 0.0 112.048 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -120.39 155.61 33.08 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 123.928 0.891 . . . . 0.0 113.244 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.58 112.16 17.67 Favored 'General case' 0 C--N 1.377 1.802 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.3 t -139.82 156.52 46.69 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 114.463 -1.244 . . . . 0.0 109.898 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -106.99 48.09 0.85 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -176.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.01 -69.44 0.49 Allowed Glycine 0 N--CA 1.489 2.188 0 N-CA-C 118.346 2.098 . . . . 0.0 118.346 171.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 26' ' ' SER . . . -176.63 59.27 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.425 0 CA-C-N 119.52 1.66 . . . . 0.0 109.985 -178.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -137.73 140.21 40.57 Favored 'General case' 0 CA--C 1.562 1.407 0 N-CA-C 115.338 1.607 . . . . 0.0 115.338 -177.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.636 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 2.7 mt -70.31 -23.65 62.88 Favored 'General case' 0 N--CA 1.525 3.285 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 170.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.75 -38.2 95.54 Favored Glycine 0 C--N 1.382 3.11 0 O-C-N 124.919 1.387 . . . . 0.0 114.113 177.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -78.28 -27.16 47.33 Favored 'General case' 0 C--N 1.392 2.436 0 C-N-CA 123.636 0.774 . . . . 0.0 112.657 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -80.76 -30.72 36.04 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -76.41 -37.96 56.3 Favored 'General case' 0 C--N 1.373 1.6 0 C-N-CA 124.834 1.254 . . . . 0.0 112.997 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -69.58 -30.69 68.52 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 125.315 1.446 . . . . 0.0 111.411 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -81.31 -29.5 34.2 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 123.633 0.773 . . . . 0.0 109.575 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.38 -39.76 64.88 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 124.822 1.326 . . . . 0.0 111.994 177.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -67.21 -38.92 86.11 Favored 'General case' 0 N--CA 1.503 2.223 0 C-N-CA 125.178 1.391 . . . . 0.0 111.069 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -74.2 -27.25 60.71 Favored 'General case' 0 N--CA 1.497 1.923 0 C-N-CA 126.331 1.852 . . . . 0.0 113.312 178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 m -79.16 -30.56 43.59 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 123.543 0.737 . . . . 0.0 110.529 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tp -71.73 -40.13 69.61 Favored 'General case' 0 C--N 1.383 2.027 0 C-N-CA 125.017 1.327 . . . . 0.0 110.344 177.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 78.7 p -70.49 -34.89 72.87 Favored 'General case' 0 N--CA 1.506 2.357 0 C-N-CA 125.42 1.488 . . . . 0.0 113.951 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -76.24 -38.51 56.21 Favored 'General case' 0 N--CA 1.516 2.85 0 CA-C-N 119.378 0.99 . . . . 0.0 112.93 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.41 -35.98 80.38 Favored 'General case' 0 C--N 1.387 2.215 0 C-N-CA 124.714 1.206 . . . . 0.0 111.434 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -65.59 -31.6 72.73 Favored 'General case' 0 C--N 1.39 2.343 0 C-N-CA 125.661 1.584 . . . . 0.0 111.614 176.582 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.68 94.5 Favored 'General case' 0 C--N 1.389 2.287 0 C-N-CA 124.261 1.024 . . . . 0.0 113.492 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.27 -30.81 67.93 Favored 'General case' 0 N--CA 1.512 2.638 0 C-N-CA 123.401 0.68 . . . . 0.0 112.119 174.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.428 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 56.0 t -60.95 -39.89 83.59 Favored 'Isoleucine or valine' 0 C--N 1.377 1.797 0 C-N-CA 126.548 1.939 . . . . 0.0 110.107 175.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -53.95 -32.75 54.8 Favored 'General case' 0 C--N 1.397 2.64 0 C-N-CA 125.275 1.43 . . . . 0.0 112.912 178.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -69.53 -38.13 77.39 Favored 'General case' 0 C--N 1.4 2.778 0 C-N-CA 125.534 1.534 . . . . 0.0 112.292 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.01 32.26 3.11 Favored Glycine 0 C--N 1.374 2.664 0 N-CA-C 115.951 1.14 . . . . 0.0 115.951 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.92 114.65 22.28 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-O 121.927 0.87 . . . . 0.0 109.157 179.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.27 -34.54 76.37 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 112.607 -2.088 . . . . 0.0 113.146 -176.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.5 m -71.45 -38.01 71.34 Favored 'General case' 0 CA--C 1.575 1.917 0 C-N-CA 124.425 1.09 . . . . 0.0 111.174 177.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -75.14 -22.72 57.96 Favored 'General case' 0 N--CA 1.509 2.491 0 C-N-CA 123.77 0.828 . . . . 0.0 112.417 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 t -77.5 -47.1 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 125.473 1.509 . . . . 0.0 110.026 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.78 -38.0 82.81 Favored 'General case' 0 C--N 1.39 2.336 0 C-N-CA 127.469 2.307 . . . . 0.0 112.658 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -40.26 95.23 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 126.484 1.914 . . . . 0.0 109.828 172.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 tt -72.5 -37.98 68.25 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.928 1.291 . . . . 0.0 109.947 176.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.46 -40.4 97.02 Favored 'General case' 0 N--CA 1.514 2.727 0 C-N-CA 125.006 1.322 . . . . 0.0 112.299 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.72 -37.48 73.53 Favored 'General case' 0 N--CA 1.516 2.871 0 C-N-CA 126.098 1.759 . . . . 0.0 110.977 176.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -72.25 -30.17 64.62 Favored 'General case' 0 CA--C 1.573 1.827 0 C-N-CA 125.339 1.456 . . . . 0.0 110.822 174.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.5 -46.03 60.85 Favored 'General case' 0 C--N 1.375 1.714 0 C-N-CA 124.607 1.163 . . . . 0.0 112.104 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.461 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.05 -40.44 82.82 Favored 'General case' 0 C--N 1.388 2.259 0 C-N-CA 124.918 1.287 . . . . 0.0 112.854 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.33 -37.82 83.9 Favored 'General case' 0 C--N 1.39 2.345 0 C-N-CA 126.123 1.769 . . . . 0.0 112.271 178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -73.81 -27.26 61.03 Favored 'General case' 0 C--N 1.373 1.615 0 C-N-CA 123.653 0.781 . . . . 0.0 112.621 176.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.546 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 39.9 mt -63.4 -46.13 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.523 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.2 mt-10 -65.73 -44.73 85.11 Favored 'General case' 0 N--CA 1.507 2.384 0 C-N-CA 124.738 1.215 . . . . 0.0 112.071 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.74 -43.88 57.87 Favored 'General case' 0 C--N 1.377 1.787 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -177.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.6 mp -86.84 -42.99 12.81 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -175.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 4.6 mt-30 -67.13 -40.14 86.72 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 123.845 0.716 . . . . 0.0 112.058 178.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.4 mtt180 -79.43 -39.38 32.5 Favored 'General case' 0 C--N 1.385 2.11 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -75.72 -28.83 58.73 Favored 'General case' 0 C--N 1.39 2.355 0 CA-C-N 118.957 0.799 . . . . 0.0 110.543 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.18 60.13 Favored 'General case' 0 C--N 1.39 2.343 0 C-N-CA 123.954 0.901 . . . . 0.0 109.169 173.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.13 -33.32 69.99 Favored 'General case' 0 C--N 1.41 3.236 0 C-N-CA 124.902 1.281 . . . . 0.0 114.061 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.3 p -85.72 -23.09 27.5 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 123.811 0.844 . . . . 0.0 110.636 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.58 -25.62 50.14 Favored 'General case' 0 C--N 1.39 2.369 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.812 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.2 p -75.14 -10.82 59.83 Favored 'General case' 0 N--CA 1.515 2.782 0 C-N-CA 125.99 1.716 . . . . 0.0 112.299 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 mt -90.97 -32.72 15.84 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 124.492 1.117 . . . . 0.0 112.832 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -69.07 -34.63 75.46 Favored 'General case' 0 N--CA 1.507 2.412 0 C-N-CA 124.967 1.307 . . . . 0.0 112.466 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.412 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -83.24 -38.84 21.69 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 125.174 1.39 . . . . 0.0 114.516 179.712 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -41.14 -23.97 0.02 OUTLIER 'General case' 0 N--CA 1.535 3.791 0 C-N-CA 128.042 2.537 . . . . 0.0 115.835 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -65.15 -85.23 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 C-N-CA 126.881 2.072 . . . . 0.0 115.868 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -117.14 -21.8 8.66 Favored 'General case' 0 N--CA 1.505 2.277 0 C-N-CA 124.187 0.995 . . . . 0.0 111.37 -178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 97' ' ' ARG . . . -83.81 -9.05 59.06 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 127.437 2.295 . . . . 0.0 114.42 -176.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -48.68 -42.5 34.92 Favored 'General case' 0 N--CA 1.504 2.23 0 C-N-CA 127.069 2.148 . . . . 0.0 115.644 -170.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.4 mt -70.85 -54.4 7.86 Favored Pre-proline 0 CA--C 1.597 2.776 0 CA-C-O 116.338 -1.792 . . . . 0.0 114.355 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -83.82 5.87 6.1 Favored 'Trans proline' 1 C--N 1.446 5.705 0 C-N-CA 122.905 2.403 . . . . 0.0 115.684 176.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -121.1 0.55 11.66 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-N 115.476 -0.784 . . . . 0.0 112.507 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -104.31 2.36 43.43 Favored Glycine 0 C--N 1.367 2.286 0 C-N-CA 123.305 0.479 . . . . 0.0 114.147 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -94.63 -47.33 6.56 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 124.671 1.188 . . . . 0.0 111.24 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.437 ' H ' ' HG ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -75.73 -29.26 58.85 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.944 1.298 . . . . 0.0 113.821 179.628 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -67.84 -36.66 80.72 Favored 'General case' 0 C--N 1.386 2.161 0 C-N-CA 123.995 0.918 . . . . 0.0 112.428 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.97 -37.31 85.66 Favored 'General case' 0 C--N 1.39 2.351 0 C-N-CA 125.836 1.654 . . . . 0.0 111.452 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 2.0 mpt_? -69.88 -47.87 60.91 Favored 'General case' 0 C--N 1.378 1.829 0 C-N-CA 124.122 0.969 . . . . 0.0 110.666 175.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.412 HD11 HD22 ' A' ' 46' ' ' LEU . 3.9 mp -59.12 -61.41 2.65 Favored 'General case' 0 CA--C 1.594 2.639 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.88 -48.0 8.15 Favored 'General case' 0 C--N 1.383 2.057 0 N-CA-C 116.524 2.046 . . . . 0.0 116.524 -175.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.29 -37.39 71.86 Favored 'General case' 0 N--CA 1.51 2.55 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -178.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 17.3 m-85 -73.86 -32.23 63.54 Favored 'General case' 0 C--N 1.392 2.432 0 CA-C-N 118.474 0.579 . . . . 0.0 112.116 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -65.95 -38.11 87.77 Favored 'General case' 0 C--N 1.399 2.759 0 CA-C-O 118.613 -0.708 . . . . 0.0 112.506 175.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.92 -41.26 95.71 Favored 'General case' 0 N--CA 1.52 3.05 0 C-N-CA 125.288 1.435 . . . . 0.0 114.277 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -65.97 -37.2 85.38 Favored 'General case' 0 N--CA 1.508 2.435 0 C-N-CA 124.5 1.12 . . . . 0.0 112.491 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.79 -31.0 68.68 Favored 'General case' 0 C--N 1.378 1.828 0 C-N-CA 124.97 1.308 . . . . 0.0 112.229 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -64.99 -42.43 94.52 Favored 'General case' 0 N--CA 1.513 2.688 0 C-N-CA 125.57 1.548 . . . . 0.0 114.15 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -73.08 -38.67 66.34 Favored 'General case' 0 N--CA 1.508 2.426 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.78 -32.89 73.2 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 123.455 0.472 . . . . 0.0 110.128 173.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.19 -31.49 67.7 Favored 'General case' 0 C--N 1.382 1.995 0 C-N-CA 125.201 1.4 . . . . 0.0 112.328 175.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.6 -37.95 83.3 Favored 'General case' 0 C--N 1.406 3.059 0 C-N-CA 125.127 1.371 . . . . 0.0 111.327 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.75 -38.21 90.23 Favored 'General case' 0 C--N 1.395 2.571 0 C-N-CA 125.432 1.493 . . . . 0.0 110.623 176.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -66.87 -39.07 87.43 Favored 'General case' 0 C--N 1.39 2.342 0 C-N-CA 125.148 1.379 . . . . 0.0 110.653 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -72.99 -45.85 55.6 Favored 'General case' 0 C--N 1.392 2.448 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.09 -40.83 78.17 Favored 'General case' 0 N--CA 1.515 2.821 0 C-N-CA 124.501 1.12 . . . . 0.0 113.785 -178.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.51 -33.19 72.47 Favored 'General case' 0 N--CA 1.502 2.175 0 C-N-CA 124.51 1.124 . . . . 0.0 111.415 178.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -68.32 -36.52 79.41 Favored 'General case' 0 C--N 1.383 2.031 0 C-N-CA 125.397 1.479 . . . . 0.0 113.054 177.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -68.16 -43.77 77.51 Favored 'General case' 0 N--CA 1.509 2.475 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.97 -37.95 72.76 Favored 'General case' 0 C--N 1.39 2.33 0 CA-C-N 113.864 -1.516 . . . . 0.0 112.985 -177.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -87.61 -13.81 41.76 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 123.774 0.83 . . . . 0.0 113.029 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.86 85.27 Favored 'General case' 0 N--CA 1.519 2.978 0 C-N-CA 125.678 1.591 . . . . 0.0 111.386 176.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -75.47 -16.01 60.36 Favored 'General case' 0 N--CA 1.501 2.095 0 C-N-CA 126.028 1.731 . . . . 0.0 112.854 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -99.11 -27.39 13.85 Favored 'General case' 0 CA--C 1.579 2.081 0 C-N-CA 125.148 1.379 . . . . 0.0 110.518 -179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 52.36 24.94 3.16 Favored 'General case' 0 N--CA 1.528 3.447 0 C-N-CA 128.195 2.598 . . . . 0.0 116.163 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -93.99 149.72 37.37 Favored Pre-proline 0 CA--C 1.578 2.056 0 CA-C-O 117.724 -1.131 . . . . 0.0 111.946 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -49.7 -8.41 0.11 Allowed 'Trans proline' 2 C--N 1.442 5.496 1 C-N-CA 125.949 4.433 . . . . 0.0 118.708 178.88 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -67.58 -17.85 64.78 Favored 'General case' 0 N--CA 1.518 2.969 0 C-N-CA 124.266 1.026 . . . . 0.0 113.611 -178.365 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.419 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -76.89 -34.14 57.77 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.605 1.562 . . . . 0.0 109.965 177.34 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.51 -35.73 70.84 Favored 'General case' 0 C--N 1.386 2.175 0 C-N-CA 124.738 1.215 . . . . 0.0 111.011 -177.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.22 -38.01 78.33 Favored 'General case' 0 CA--C 1.574 1.891 0 C-N-CA 123.961 0.904 . . . . 0.0 111.99 176.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 8.5 mt-10 -77.02 -47.29 21.06 Favored 'General case' 0 N--CA 1.512 2.63 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.4 mt -69.27 -41.57 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.911 0 C-N-CA 124.502 1.121 . . . . 0.0 110.897 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 93.0 m -62.56 -40.0 95.45 Favored 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 124.849 1.26 . . . . 0.0 110.982 177.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.26 97.86 Favored 'General case' 0 N--CA 1.513 2.68 0 C-N-CA 124.453 1.101 . . . . 0.0 113.221 177.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -76.08 -27.25 57.13 Favored 'General case' 0 C--N 1.381 1.937 0 C-N-CA 124.784 1.234 . . . . 0.0 111.973 177.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -37.01 81.23 Favored 'General case' 0 C--N 1.39 2.35 0 C-N-CA 125.951 1.701 . . . . 0.0 112.708 177.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -75.18 -36.7 61.45 Favored 'General case' 0 C--N 1.388 2.271 0 C-N-CA 125.491 1.516 . . . . 0.0 110.073 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -70.68 -35.1 72.65 Favored 'General case' 0 C--N 1.385 2.117 0 C-N-CA 125.532 1.533 . . . . 0.0 112.461 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.13 -39.74 95.55 Favored 'General case' 0 C--N 1.383 2.056 0 C-N-CA 124.764 1.226 . . . . 0.0 109.938 175.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.9 p -78.04 -40.28 39.27 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 124.015 0.822 . . . . 0.0 113.155 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -70.7 -36.68 73.39 Favored 'General case' 0 N--CA 1.512 2.636 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 15.0 p -75.09 -38.41 61.21 Favored 'General case' 0 C--N 1.38 1.9 0 CA-C-O 118.961 -0.543 . . . . 0.0 112.287 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -64.02 -37.68 88.31 Favored 'General case' 0 C--N 1.385 2.129 0 C-N-CA 124.993 1.317 . . . . 0.0 112.773 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 23.0 m -72.32 -44.09 63.19 Favored 'General case' 0 N--CA 1.5 2.025 0 C-N-CA 124.564 1.145 . . . . 0.0 112.195 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.69 78.25 Favored 'General case' 0 C--N 1.377 1.768 0 C-N-CA 125.276 1.43 . . . . 0.0 113.115 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 35.8 mt -71.14 -40.21 74.76 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.871 0 C-N-CA 125.477 1.511 . . . . 0.0 111.185 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.67 97.03 Favored 'General case' 0 C--N 1.396 2.596 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.99 -41.79 77.35 Favored 'General case' 0 N--CA 1.514 2.757 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 16.8 p -71.12 -37.95 72.32 Favored 'General case' 0 N--CA 1.51 2.538 0 C-N-CA 124.01 0.924 . . . . 0.0 112.926 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -72.03 -34.39 68.76 Favored 'General case' 0 C--N 1.377 1.779 0 C-N-CA 123.962 0.905 . . . . 0.0 112.579 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -65.6 -36.3 83.33 Favored 'General case' 0 N--CA 1.514 2.753 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.87 -33.31 70.49 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 124.481 1.112 . . . . 0.0 111.668 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.5 mt -79.87 -36.56 36.42 Favored 'General case' 0 N--CA 1.501 2.1 0 C-N-CA 125.18 1.392 . . . . 0.0 112.541 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -74.67 -26.45 59.86 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 125.753 1.621 . . . . 0.0 114.38 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -50.48 -42.24 54.29 Favored 'General case' 0 C--N 1.398 2.701 0 C-N-CA 126.914 2.086 . . . . 0.0 113.16 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -101.84 177.62 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.369 1.416 0 CA-C-N 112.473 -2.149 . . . . 0.0 107.394 -178.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.53 4.33 36.38 Favored 'General case' 0 CA--C 1.578 2.035 0 CA-C-N 114.418 -1.265 . . . . 0.0 110.438 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 . . . . . 0 N--CA 1.499 1.981 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.259 -177.221 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mtt . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 121.187 0.518 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -115.46 127.69 55.51 Favored 'General case' 0 N--CA 1.5 2.048 0 C-N-CA 124.136 0.974 . . . . 0.0 110.839 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.44 124.27 24.3 Favored Pre-proline 0 CA--C 1.574 1.877 0 C-N-CA 123.556 0.743 . . . . 0.0 111.9 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -60.19 -27.06 84.1 Favored 'Trans proline' 1 C--N 1.433 4.975 0 C-N-CA 124.156 3.237 . . . . 0.0 117.286 178.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mt -74.54 -36.29 63.14 Favored 'General case' 0 N--CA 1.506 2.334 0 C-N-CA 123.88 0.872 . . . . 0.0 111.832 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 -34.03 55.2 Favored 'General case' 0 C--N 1.375 1.683 0 C-N-CA 125.472 1.509 . . . . 0.0 112.303 178.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.61 -31.68 68.75 Favored 'General case' 0 C--N 1.381 1.943 0 C-N-CA 124.174 0.989 . . . . 0.0 109.248 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -66.28 -38.07 86.92 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.566 1.146 . . . . 0.0 111.661 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.8 m -71.69 -41.16 68.98 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 124.187 0.995 . . . . 0.0 110.918 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mt -58.4 -43.74 88.71 Favored 'General case' 0 C--N 1.387 2.218 0 O-C-N 124.32 1.012 . . . . 0.0 112.231 173.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -65.68 -39.94 91.82 Favored 'General case' 0 C--N 1.4 2.795 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 m -70.2 -36.99 74.97 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.47 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -62.76 -30.5 71.49 Favored 'General case' 0 N--CA 1.505 2.321 0 C-N-CA 124.158 0.983 . . . . 0.0 111.638 175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.7 t -75.95 -46.01 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.359 0 C-N-CA 125.524 1.529 . . . . 0.0 111.038 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.26 68.48 Favored 'General case' 0 N--CA 1.505 2.311 0 C-N-CA 123.351 0.661 . . . . 0.0 111.405 175.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.15 -40.11 90.31 Favored 'General case' 0 N--CA 1.512 2.626 0 C-N-CA 125.567 1.547 . . . . 0.0 110.334 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -36.2 70.64 Favored 'General case' 0 C--N 1.38 1.915 0 C-N-CA 124.382 1.073 . . . . 0.0 110.886 178.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -59.67 -41.53 90.85 Favored 'General case' 0 N--CA 1.505 2.3 0 C-N-CA 127.484 2.314 . . . . 0.0 111.647 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.28 -15.16 59.57 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 177.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 mp -98.64 -19.48 17.52 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 124.534 1.133 . . . . 0.0 109.738 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.39 15.41 8.23 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 C-N-CA 127.206 2.202 . . . . 0.0 111.555 178.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.81 -78.96 0.15 Allowed Glycine 0 N--CA 1.486 2.028 0 CA-C-O 117.353 -1.804 . . . . 0.0 114.453 -173.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -66.2 -2.04 6.36 Favored 'Trans proline' 0 CA--C 1.602 3.916 0 C-N-CA 123.469 2.779 . . . . 0.0 116.838 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.1 mt -90.74 -13.13 34.64 Favored 'General case' 0 CA--C 1.584 2.262 0 C-N-CA 125.352 1.461 . . . . 0.0 112.522 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.551 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -60.11 -42.94 95.81 Favored 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 127.492 2.317 . . . . 0.0 115.405 177.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.52 -31.97 12.51 Favored 'General case' 0 C--N 1.385 2.109 0 C-N-CA 124.763 1.225 . . . . 0.0 110.453 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -100.59 91.53 4.7 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.575 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -101.15 129.28 47.03 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -133.08 -63.07 0.78 Allowed 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.827 1.251 . . . . 0.0 110.394 178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -143.89 152.21 40.85 Favored 'General case' 0 C--N 1.383 2.06 0 C-N-CA 124.969 1.308 . . . . 0.0 108.954 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 m -112.12 104.28 55.9 Favored Pre-proline 0 C--N 1.391 2.396 0 C-N-CA 123.079 0.551 . . . . 0.0 112.11 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -82.15 -59.1 0.03 OUTLIER 'Trans proline' 1 C--N 1.433 4.98 0 C-N-CA 122.316 2.01 . . . . 0.0 116.189 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -118.83 19.51 13.09 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 125.369 1.467 . . . . 0.0 113.625 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -73.0 110.32 7.2 Favored 'General case' 0 N--CA 1.503 2.19 0 C-N-CA 123.05 0.54 . . . . 0.0 109.959 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.95 88.86 2.91 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 117.9 -1.52 . . . . 0.0 109.163 179.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -83.0 7.02 16.83 Favored 'General case' 0 N--CA 1.5 2.05 0 CA-C-N 113.589 -1.642 . . . . 0.0 113.526 -177.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -79.47 -28.11 41.55 Favored 'General case' 0 N--CA 1.489 1.499 0 C-N-CA 124.304 1.042 . . . . 0.0 110.574 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.44 -6.88 32.9 Favored 'General case' 0 C--N 1.391 2.412 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -117.12 153.67 32.38 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 122.957 0.503 . . . . 0.0 112.294 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.01 109.54 14.23 Favored 'General case' 0 C--N 1.381 1.967 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.6 t -157.73 140.41 14.8 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 113.406 -1.725 . . . . 0.0 108.575 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -83.05 -31.65 27.26 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 114.219 -1.355 . . . . 0.0 112.835 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.21 81.75 1.32 Allowed Glycine 0 C--N 1.377 2.828 0 N-CA-C 107.717 -2.153 . . . . 0.0 107.717 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.79 -54.06 1.14 Allowed 'General case' 0 C--N 1.377 1.782 0 CA-C-O 121.177 0.513 . . . . 0.0 110.639 -173.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.436 ' HG2' ' H ' ' A' ' 47' ' ' GLY 0.257 55.9 ttt180 -177.58 175.59 1.38 Allowed 'General case' 0 C--N 1.413 3.347 0 O-C-N 126.134 2.146 . . . . 0.0 112.477 -172.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.551 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 2.1 mt -67.86 -22.01 65.14 Favored 'General case' 0 N--CA 1.537 3.896 0 C-N-CA 125.228 1.411 . . . . 0.0 108.683 168.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -58.91 -35.03 81.12 Favored Glycine 0 C--N 1.375 2.737 0 C-N-CA 126.355 1.931 . . . . 0.0 114.822 177.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.06 -21.41 54.5 Favored 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 117.721 0.761 . . . . 0.0 111.791 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -81.98 -32.56 30.59 Favored 'General case' 0 N--CA 1.497 1.895 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.827 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -77.12 -35.1 56.56 Favored 'General case' 0 C--N 1.372 1.578 0 C-N-CA 124.953 1.301 . . . . 0.0 112.621 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.62 -38.88 77.41 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 125.3 1.44 . . . . 0.0 111.6 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -74.37 -30.07 61.83 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 123.485 0.714 . . . . 0.0 111.424 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.11 -38.91 69.23 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 113.848 -1.524 . . . . 0.0 111.684 177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.94 -37.68 75.95 Favored 'General case' 0 N--CA 1.502 2.165 0 C-N-CA 123.989 0.916 . . . . 0.0 110.84 175.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -71.91 -24.49 61.65 Favored 'General case' 0 N--CA 1.499 1.992 0 C-N-CA 126.211 1.804 . . . . 0.0 112.551 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.14 -31.41 39.01 Favored 'General case' 0 C--N 1.382 1.997 0 C-N-CA 123.755 0.822 . . . . 0.0 109.809 179.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.3 tp -72.71 -40.2 66.36 Favored 'General case' 0 C--N 1.384 2.097 0 C-N-CA 124.911 1.284 . . . . 0.0 110.809 176.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.2 p -71.82 -32.38 67.51 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 125.783 1.633 . . . . 0.0 113.066 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -77.46 -35.27 54.02 Favored 'General case' 0 N--CA 1.507 2.406 0 C-N-CA 123.609 0.764 . . . . 0.0 112.657 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -71.03 -32.55 69.33 Favored 'General case' 0 C--N 1.386 2.195 0 C-N-CA 124.898 1.279 . . . . 0.0 111.358 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.02 -32.93 74.49 Favored 'General case' 0 C--N 1.387 2.227 0 C-N-CA 126.306 1.842 . . . . 0.0 111.864 176.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.51 -40.6 89.29 Favored 'General case' 0 C--N 1.392 2.454 0 C-N-CA 123.816 0.846 . . . . 0.0 111.284 177.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.62 -27.9 69.25 Favored 'General case' 0 C--N 1.395 2.571 0 C-N-CA 125.235 1.414 . . . . 0.0 113.475 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 82.1 t -64.32 -38.91 83.76 Favored 'Isoleucine or valine' 0 C--N 1.382 2.002 0 C-N-CA 125.391 1.476 . . . . 0.0 108.58 175.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -68.94 -11.71 60.94 Favored 'General case' 0 N--CA 1.502 2.169 0 C-N-CA 125.824 1.649 . . . . 0.0 112.263 174.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -88.11 -39.23 14.74 Favored 'General case' 0 C--N 1.38 1.926 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 172.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.85 39.87 0.87 Allowed Glycine 0 C--N 1.381 3.046 0 N-CA-C 116.889 1.516 . . . . 0.0 116.889 171.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.05 105.31 16.03 Favored 'General case' 0 C--N 1.374 1.673 0 CA-C-O 121.676 0.75 . . . . 0.0 109.459 176.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.15 -20.95 60.81 Favored 'General case' 0 N--CA 1.505 2.29 0 CA-C-N 114.048 -1.433 . . . . 0.0 112.3 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.9 m -71.1 -36.57 72.23 Favored 'General case' 0 CA--C 1.569 1.703 0 C-N-CA 125.504 1.522 . . . . 0.0 110.215 176.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -75.47 -22.12 57.51 Favored 'General case' 0 C--N 1.393 2.461 0 C-N-CA 124.087 0.955 . . . . 0.0 111.791 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 52.5 t -75.68 -49.4 26.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 C-N-CA 126.607 1.963 . . . . 0.0 109.968 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.0 -36.45 80.01 Favored 'General case' 0 C--N 1.379 1.862 0 C-N-CA 127.018 2.127 . . . . 0.0 112.691 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -63.31 -46.93 84.43 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 125.924 1.689 . . . . 0.0 108.939 173.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.2 -40.52 97.73 Favored 'General case' 0 N--CA 1.509 2.501 0 O-C-N 124.792 1.308 . . . . 0.0 111.457 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.01 95.36 Favored 'General case' 0 N--CA 1.511 2.581 0 C-N-CA 124.779 1.231 . . . . 0.0 112.898 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -70.75 -37.88 73.47 Favored 'General case' 0 N--CA 1.519 2.992 0 C-N-CA 126.071 1.748 . . . . 0.0 111.64 177.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -71.04 -30.34 66.51 Favored 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 124.996 1.318 . . . . 0.0 110.24 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.493 HD11 HD13 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -67.85 -47.04 70.07 Favored 'General case' 0 C--N 1.377 1.764 0 C-N-CA 124.522 1.129 . . . . 0.0 112.162 179.158 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.44 -40.06 81.26 Favored 'General case' 0 C--N 1.384 2.101 0 C-N-CA 124.789 1.236 . . . . 0.0 113.257 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.44 81.81 Favored 'General case' 0 C--N 1.389 2.294 0 C-N-CA 125.712 1.605 . . . . 0.0 112.492 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -73.83 -27.31 61.04 Favored 'General case' 0 C--N 1.376 1.736 0 C-N-CA 123.957 0.903 . . . . 0.0 112.642 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' ' 80' ' ' ALA . 30.7 mt -63.04 -46.28 96.62 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.564 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.45 -44.58 82.42 Favored 'General case' 0 N--CA 1.505 2.29 0 C-N-CA 124.652 1.181 . . . . 0.0 112.355 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.35 -45.24 56.24 Favored 'General case' 0 C--N 1.379 1.863 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.4 mp -85.11 -45.64 11.88 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -175.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -65.53 -36.87 85.09 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -76.54 -41.02 48.12 Favored 'General case' 0 CA--C 1.595 2.7 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -75.26 -29.7 60.25 Favored 'General case' 0 C--N 1.402 2.856 0 CA-C-N 118.962 0.801 . . . . 0.0 109.78 -178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.38 -22.87 51.03 Favored 'General case' 0 C--N 1.384 2.075 0 C-N-CA 125.646 1.578 . . . . 0.0 110.801 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.16 95.6 Favored 'General case' 0 C--N 1.41 3.219 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -178.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 p -78.8 -27.74 44.49 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 124.058 0.943 . . . . 0.0 111.726 174.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 97' ' ' ARG . . . -57.64 -28.33 63.62 Favored 'General case' 0 N--CA 1.502 2.158 0 C-N-CA 124.676 1.191 . . . . 0.0 112.424 173.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -8.43 1.3 Allowed 'General case' 0 C--N 1.421 3.705 0 C-N-CA 127.08 2.152 . . . . 0.0 112.845 175.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.63 -55.39 3.15 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 178.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -73.76 -3.63 29.63 Favored 'General case' 0 N--CA 1.519 2.992 0 CA-C-O 123.095 1.426 . . . . 0.0 109.339 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.776 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 1.3 ttp180 -60.27 -36.1 77.04 Favored 'General case' 0 C--N 1.363 1.184 0 C-N-CA 130.034 3.334 . . . . 0.0 116.245 179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.56 -6.19 30.56 Favored 'General case' 0 C--N 1.37 1.478 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 -171.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . 0.281 8.8 mt-10 -110.58 -60.05 1.87 Allowed 'General case' 0 N--CA 1.518 2.941 0 N-CA-C 118.786 2.884 . . . . 0.0 118.786 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.41 -16.09 12.51 Favored 'General case' 0 N--CA 1.52 3.033 0 CA-C-N 120.656 1.571 . . . . 0.0 112.099 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.776 ' HB3' ' HA ' ' A' ' 97' ' ' ARG . . . -85.7 -22.4 27.85 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 126.767 2.027 . . . . 0.0 112.933 176.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -66.13 -56.63 10.47 Favored 'General case' 0 N--CA 1.511 2.592 0 C-N-CA 125.235 1.414 . . . . 0.0 114.806 -176.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.3 mt -69.06 -35.96 6.87 Favored Pre-proline 0 N--CA 1.506 2.346 0 N-CA-C 120.676 3.584 . . . . 0.0 120.676 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -57.19 -18.05 28.17 Favored 'Trans proline' 1 C--N 1.441 5.446 0 CA-C-N 124.901 2.786 . . . . 0.0 118.948 -175.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -148.86 -26.58 0.07 OUTLIER Glycine 0 C--N 1.355 1.598 0 CA-C-O 118.361 -1.244 . . . . 0.0 114.43 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.68 -70.82 0.7 Allowed Glycine 0 C--N 1.383 3.149 0 CA-C-N 118.875 1.337 . . . . 0.0 112.804 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -106.94 37.37 2.37 Favored 'General case' 0 CA--C 1.562 1.436 0 C-N-CA 124.775 1.23 . . . . 0.0 110.846 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 46.5 mt -63.73 -47.34 81.43 Favored 'General case' 0 N--CA 1.512 2.656 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -71.06 -36.84 72.44 Favored 'General case' 0 C--N 1.376 1.723 0 C-N-CA 125.599 1.56 . . . . 0.0 110.302 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.57 -29.68 69.81 Favored 'General case' 0 C--N 1.378 1.844 0 C-N-CA 124.686 1.195 . . . . 0.0 111.33 173.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.578 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.7 OUTLIER -77.1 -48.82 16.74 Favored 'General case' 0 C--N 1.372 1.584 0 C-N-CA 123.324 0.65 . . . . 0.0 110.206 175.21 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.99 -63.69 1.05 Allowed 'General case' 0 CA--C 1.595 2.682 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -78.03 -43.58 28.97 Favored 'General case' 0 C--N 1.384 2.108 0 N-CA-C 117.347 2.351 . . . . 0.0 117.347 -177.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -75.07 -29.62 60.73 Favored 'General case' 0 N--CA 1.507 2.418 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.578 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.1 m-85 -70.78 -37.57 73.35 Favored 'General case' 0 C--N 1.389 2.285 0 CA-C-O 118.795 -0.621 . . . . 0.0 111.337 176.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -66.09 -39.71 90.21 Favored 'General case' 0 N--CA 1.509 2.506 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 177.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.19 -42.9 71.78 Favored 'General case' 0 N--CA 1.52 3.058 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -70.85 -35.67 72.53 Favored 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 124.031 0.932 . . . . 0.0 112.641 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -73.75 -24.3 59.86 Favored 'General case' 0 C--N 1.378 1.822 0 C-N-CA 124.511 1.124 . . . . 0.0 111.879 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -65.58 -49.39 68.98 Favored 'General case' 0 C--N 1.392 2.426 0 C-N-CA 125.513 1.525 . . . . 0.0 113.547 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -75.02 -34.46 61.9 Favored 'General case' 0 N--CA 1.51 2.533 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 177.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.9 -32.74 73.15 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 123.843 0.715 . . . . 0.0 110.018 172.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.493 HD13 HD11 ' A' ' 79' ' ' LEU . 1.6 mt -71.39 -34.01 70.01 Favored 'General case' 0 C--N 1.384 2.095 0 C-N-CA 124.674 1.19 . . . . 0.0 112.524 176.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.43 93.48 Favored 'General case' 0 C--N 1.407 3.096 0 C-N-CA 125.646 1.579 . . . . 0.0 112.141 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 64.2 mtt -64.52 -39.42 93.74 Favored 'General case' 0 C--N 1.389 2.297 0 O-C-N 125.053 1.47 . . . . 0.0 110.339 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -68.86 -38.07 79.52 Favored 'General case' 0 C--N 1.389 2.318 0 C-N-CA 124.559 1.144 . . . . 0.0 110.351 175.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -63.9 -38.43 91.06 Favored 'General case' 0 C--N 1.401 2.811 0 C-N-CA 125.511 1.524 . . . . 0.0 114.551 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.13 -40.1 82.56 Favored 'General case' 0 N--CA 1.506 2.349 0 C-N-CA 124.356 1.063 . . . . 0.0 111.263 177.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -75.48 -24.78 56.97 Favored 'General case' 0 C--N 1.382 2.021 0 C-N-CA 124.448 1.099 . . . . 0.0 112.593 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.29 -37.05 77.65 Favored 'General case' 0 N--CA 1.515 2.775 0 C-N-CA 125.42 1.488 . . . . 0.0 111.454 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -66.89 -38.61 86.61 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 124.731 1.212 . . . . 0.0 110.742 176.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.91 -36.29 75.26 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 125.007 1.323 . . . . 0.0 111.811 176.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -69.37 -36.47 76.85 Favored 'General case' 0 C--N 1.392 2.442 0 C-N-CA 125.203 1.401 . . . . 0.0 112.143 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.06 -37.09 84.97 Favored 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 124.975 1.31 . . . . 0.0 113.134 176.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -90.21 -39.38 12.83 Favored 'General case' 0 C--N 1.387 2.232 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -107.05 -30.0 9.07 Favored 'General case' 0 C--N 1.393 2.494 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -175.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 55.94 26.88 10.34 Favored 'General case' 0 N--CA 1.533 3.692 0 C-N-CA 127.398 2.279 . . . . 0.0 116.398 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.78 139.33 62.24 Favored Pre-proline 0 N--CA 1.504 2.265 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -56.38 -15.84 16.27 Favored 'Trans proline' 1 C--N 1.438 5.258 0 C-N-CA 124.741 3.628 . . . . 0.0 116.394 177.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.4 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 52.2 mt-30 -69.04 -38.28 79.06 Favored 'General case' 0 N--CA 1.527 3.376 0 C-N-CA 124.369 1.068 . . . . 0.0 113.128 -178.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.18 -29.48 48.57 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 126.654 1.981 . . . . 0.0 109.914 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.17 -37.71 78.34 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 126.735 2.014 . . . . 0.0 110.262 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -70.41 -33.19 71.07 Favored 'General case' 0 C--N 1.381 1.965 0 C-N-CA 124.163 0.985 . . . . 0.0 110.863 173.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 37.6 mt-10 -72.36 -43.41 64.07 Favored 'General case' 0 N--CA 1.512 2.664 0 C-N-CA 125.083 1.353 . . . . 0.0 114.555 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 5.6 mt -66.95 -43.23 89.38 Favored 'Isoleucine or valine' 0 C--N 1.407 3.101 0 C-N-CA 125.141 1.376 . . . . 0.0 109.091 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.3 m -62.19 -41.95 98.82 Favored 'General case' 0 CA--C 1.588 2.407 0 C-N-CA 125.98 1.712 . . . . 0.0 111.352 177.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.93 90.43 Favored 'General case' 0 N--CA 1.513 2.69 0 C-N-CA 124.464 1.106 . . . . 0.0 111.904 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 25.0 mt -73.24 -27.09 61.39 Favored 'General case' 0 C--N 1.38 1.897 0 C-N-CA 125.267 1.427 . . . . 0.0 112.164 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.78 -37.16 86.33 Favored 'General case' 0 C--N 1.393 2.476 0 C-N-CA 125.696 1.598 . . . . 0.0 111.606 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -75.18 -36.79 61.44 Favored 'General case' 0 C--N 1.39 2.362 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.322 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -71.26 -35.12 71.28 Favored 'General case' 0 C--N 1.387 2.2 0 C-N-CA 124.919 1.288 . . . . 0.0 113.112 179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -38.36 90.76 Favored 'General case' 0 C--N 1.379 1.872 0 C-N-CA 124.605 1.162 . . . . 0.0 110.017 175.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 2.5 p -77.63 -39.65 44.51 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 124.031 0.832 . . . . 0.0 112.675 177.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -70.48 -34.32 72.24 Favored 'General case' 0 N--CA 1.517 2.895 0 C-N-CA 124.177 0.991 . . . . 0.0 113.636 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 80.8 m -71.37 -38.72 71.55 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 123.685 0.794 . . . . 0.0 110.435 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -57.78 -38.9 76.26 Favored 'General case' 0 C--N 1.393 2.466 0 C-N-CA 125.884 1.674 . . . . 0.0 113.184 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.01 -42.55 47.66 Favored 'General case' 0 CA--C 1.578 2.025 0 C-N-CA 124.475 1.11 . . . . 0.0 112.343 178.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.87 -38.46 83.1 Favored 'General case' 0 C--N 1.38 1.922 0 C-N-CA 125.58 1.552 . . . . 0.0 113.502 -178.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 29.6 mt -69.22 -40.47 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.796 0 C-N-CA 125.946 1.698 . . . . 0.0 110.845 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.48 -42.47 98.57 Favored 'General case' 0 C--N 1.391 2.409 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.81 -41.56 71.44 Favored 'General case' 0 N--CA 1.515 2.796 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.2 p -70.87 -37.75 73.08 Favored 'General case' 0 N--CA 1.511 2.617 0 C-N-CA 124.312 1.045 . . . . 0.0 113.507 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -75.29 -28.96 59.95 Favored 'General case' 0 C--N 1.376 1.728 0 C-N-CA 123.973 0.909 . . . . 0.0 112.973 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -68.54 -37.66 80.15 Favored 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.63 -36.44 73.46 Favored 'General case' 0 C--N 1.377 1.768 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.84 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.8 mt -73.85 -32.42 63.64 Favored 'General case' 0 C--N 1.388 2.263 0 C-N-CA 125.743 1.617 . . . . 0.0 112.631 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.06 -27.09 61.54 Favored 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 125.295 1.438 . . . . 0.0 113.358 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.78 -15.18 45.84 Favored 'General case' 0 C--N 1.381 1.953 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -178.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -101.71 -9.23 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 C-N-CA 123.797 0.839 . . . . 0.0 112.265 -177.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 4.2 t -100.85 6.13 43.63 Favored 'General case' 0 CA--C 1.58 2.133 0 C-N-CA 125.034 1.334 . . . . 0.0 111.068 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 . . . . . 0 N--CA 1.497 1.908 0 C-N-CA 123.786 0.835 . . . . 0.0 111.864 -176.173 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mmt . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 120.954 0.407 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 60.68 76.56 0.36 Allowed 'General case' 0 N--CA 1.528 3.446 0 C-N-CA 127.448 2.299 . . . . 0.0 113.79 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.73 -52.34 0.06 OUTLIER Pre-proline 0 CA--C 1.585 2.299 0 CA-C-O 116.001 -1.952 . . . . 0.0 113.542 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -71.21 114.84 4.05 Favored 'Trans proline' 1 C--N 1.452 6.011 0 CA-C-N 124.071 2.49 . . . . 0.0 114.795 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -99.42 -46.58 5.45 Favored 'General case' 0 N--CA 1.502 2.15 0 C-N-CA 123.494 0.718 . . . . 0.0 111.552 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -41.22 42.17 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 125.485 1.514 . . . . 0.0 112.575 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -33.38 73.22 Favored 'General case' 0 C--N 1.382 2.001 0 O-C-N 124.557 1.161 . . . . 0.0 111.795 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -35.27 75.62 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 124.617 1.198 . . . . 0.0 111.179 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.5 m -71.55 -41.2 69.39 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 124.042 0.937 . . . . 0.0 111.133 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.02 -43.66 91.61 Favored 'General case' 0 C--N 1.388 2.241 0 O-C-N 124.339 1.025 . . . . 0.0 111.715 173.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -45.26 89.43 Favored 'General case' 0 C--N 1.397 2.642 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -70.11 -35.61 74.25 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-O 117.824 -1.084 . . . . 0.0 111.489 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -63.16 -28.68 70.22 Favored 'General case' 0 N--CA 1.509 2.517 0 C-N-CA 124.073 0.949 . . . . 0.0 112.007 175.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.1 t -77.09 -46.66 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.462 0 C-N-CA 125.636 1.575 . . . . 0.0 111.735 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.14 -29.67 66.65 Favored 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 123.698 0.799 . . . . 0.0 111.745 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.04 87.85 Favored 'General case' 0 N--CA 1.513 2.723 0 C-N-CA 125.902 1.681 . . . . 0.0 110.19 171.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -35.92 74.65 Favored 'General case' 0 C--N 1.378 1.834 0 C-N-CA 125.066 1.347 . . . . 0.0 110.622 177.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -59.83 -43.19 94.71 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 127.194 2.197 . . . . 0.0 112.056 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.19 -14.45 59.06 Favored 'General case' 0 N--CA 1.499 2.014 0 C-N-CA 124.105 0.962 . . . . 0.0 113.232 178.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 mp -97.55 -17.73 19.39 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 124.532 1.133 . . . . 0.0 109.141 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.88 16.24 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 127.036 2.135 . . . . 0.0 111.069 176.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.78 -77.15 0.28 Allowed Glycine 0 C--N 1.366 2.222 0 CA-C-O 116.687 -2.174 . . . . 0.0 114.163 -172.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.4 -3.04 8.19 Favored 'Trans proline' 1 C--N 1.421 4.392 0 CA-C-N 122.364 3.082 . . . . 0.0 115.776 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.1 mt -88.43 -13.74 39.71 Favored 'General case' 0 CA--C 1.58 2.131 0 C-N-CA 125.169 1.388 . . . . 0.0 111.995 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.56 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -61.43 -42.5 98.85 Favored 'General case' 0 N--CA 1.508 2.448 0 C-N-CA 126.72 2.008 . . . . 0.0 114.58 176.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.3 m -87.55 -30.38 20.6 Favored 'General case' 0 C--N 1.392 2.432 0 C-N-CA 124.9 1.28 . . . . 0.0 112.064 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -97.8 98.54 9.92 Favored 'General case' 0 N--CA 1.498 1.925 0 CA-C-N 114.957 -1.02 . . . . 0.0 111.34 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -97.69 116.7 30.42 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 114.7 -1.137 . . . . 0.0 112.893 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -136.87 -65.21 0.56 Allowed 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 124.645 1.178 . . . . 0.0 110.618 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -140.6 150.88 44.17 Favored 'General case' 0 C--N 1.382 1.996 0 C-N-CA 124.953 1.301 . . . . 0.0 108.994 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.1 m -111.04 104.58 56.37 Favored Pre-proline 0 C--N 1.391 2.391 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.91 -179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -80.28 -58.69 0.03 OUTLIER 'Trans proline' 1 C--N 1.433 4.977 0 C-N-CA 122.06 1.84 . . . . 0.0 115.555 176.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -121.26 17.87 11.49 Favored 'General case' 0 C--N 1.386 2.176 0 C-N-CA 125.009 1.323 . . . . 0.0 113.405 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -74.02 109.48 7.55 Favored 'General case' 0 N--CA 1.502 2.169 0 C-N-CA 122.94 0.496 . . . . 0.0 110.093 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.58 88.99 2.97 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 118.239 -1.385 . . . . 0.0 109.8 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -83.42 3.41 32.03 Favored 'General case' 0 N--CA 1.5 2.042 0 CA-C-N 113.522 -1.672 . . . . 0.0 113.907 -177.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -80.03 -22.44 42.39 Favored 'General case' 0 C--N 1.371 1.518 0 C-N-CA 124.559 1.144 . . . . 0.0 111.336 178.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -93.15 -5.26 50.59 Favored 'General case' 0 C--N 1.388 2.249 0 C-N-CA 123.919 0.888 . . . . 0.0 112.672 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -118.22 152.84 34.92 Favored 'General case' 0 C--N 1.382 1.986 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.91 105.25 9.46 Favored 'General case' 0 C--N 1.384 2.092 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 0.4 OUTLIER -178.77 172.68 1.33 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 113.144 -1.843 . . . . 0.0 110.222 -177.556 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -86.91 -41.08 14.25 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 176.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.3 78.87 0.12 Allowed Glycine 0 N--CA 1.509 3.516 0 N-CA-C 119.428 2.531 . . . . 0.0 119.428 169.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.85 19.69 2.32 Favored 'General case' 0 C--N 1.372 1.564 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.528 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 69.8 ttt180 -152.6 146.66 25.37 Favored 'General case' 0 C--N 1.389 2.313 0 C-N-CA 126.237 1.815 . . . . 0.0 110.422 -175.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.56 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 1.6 mt -69.08 -25.58 64.5 Favored 'General case' 0 N--CA 1.524 3.272 0 C-N-CA 124.032 0.933 . . . . 0.0 110.665 172.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.528 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -60.09 -39.42 95.75 Favored Glycine 0 N--CA 1.5 2.936 0 C-N-CA 125.022 1.296 . . . . 0.0 116.24 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.476 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 3.0 m-20 -75.45 -24.94 57.06 Favored 'General case' 0 N--CA 1.513 2.685 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -178.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -83.95 -30.61 26.12 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.407 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.87 -37.99 64.57 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 125.194 1.398 . . . . 0.0 111.675 177.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -33.7 74.12 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 125.491 1.517 . . . . 0.0 111.62 177.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -74.32 -31.7 62.56 Favored 'General case' 0 C--N 1.377 1.761 0 C-N-CA 123.692 0.797 . . . . 0.0 110.991 176.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.72 -40.54 72.75 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 113.754 -1.566 . . . . 0.0 111.967 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -68.61 -36.36 78.57 Favored 'General case' 0 N--CA 1.503 2.192 0 C-N-CA 124.526 1.13 . . . . 0.0 111.16 175.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -72.0 -24.64 61.6 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 126.87 2.068 . . . . 0.0 112.289 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.8 m -76.34 -32.61 58.76 Favored 'General case' 0 C--N 1.387 2.22 0 C-N-CA 124.449 1.1 . . . . 0.0 109.889 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.5 -37.31 68.43 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 123.658 0.783 . . . . 0.0 112.459 177.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.9 p -69.97 -44.82 68.69 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -75.42 -30.02 59.91 Favored 'General case' 0 N--CA 1.517 2.91 0 CA-C-N 121.101 1.773 . . . . 0.0 113.441 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -70.28 -31.49 68.87 Favored 'General case' 0 C--N 1.393 2.483 0 C-N-CA 123.531 0.733 . . . . 0.0 111.713 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.51 -31.7 71.14 Favored 'General case' 0 C--N 1.388 2.261 0 C-N-CA 125.944 1.698 . . . . 0.0 111.188 175.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.62 -39.93 92.03 Favored 'General case' 0 C--N 1.387 2.228 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.608 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.5 -28.72 69.39 Favored 'General case' 0 C--N 1.396 2.616 0 C-N-CA 124.923 1.289 . . . . 0.0 112.91 174.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.5 t -63.34 -40.01 87.44 Favored 'Isoleucine or valine' 0 C--N 1.382 2.011 0 C-N-CA 125.4 1.48 . . . . 0.0 108.893 175.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -67.03 -16.43 64.35 Favored 'General case' 0 N--CA 1.506 2.33 0 C-N-CA 125.982 1.713 . . . . 0.0 112.326 174.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -79.65 -38.46 33.65 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 172.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.04 34.32 1.68 Allowed Glycine 0 C--N 1.38 3.009 0 N-CA-C 116.564 1.385 . . . . 0.0 116.564 171.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.55 108.8 21.6 Favored 'General case' 0 C--N 1.373 1.628 0 CA-C-O 121.925 0.869 . . . . 0.0 109.41 177.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.47 -22.21 61.1 Favored 'General case' 0 N--CA 1.502 2.142 0 CA-C-N 113.563 -1.653 . . . . 0.0 112.435 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.3 m -71.3 -37.09 71.84 Favored 'General case' 0 CA--C 1.571 1.773 0 C-N-CA 125.136 1.374 . . . . 0.0 110.029 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -74.79 -22.7 58.6 Favored 'General case' 0 C--N 1.393 2.463 0 C-N-CA 124.366 1.066 . . . . 0.0 111.99 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.7 t -75.38 -47.73 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 C-N-CA 126.34 1.856 . . . . 0.0 109.561 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.56 -35.99 80.08 Favored 'General case' 0 C--N 1.381 1.976 0 C-N-CA 127.067 2.147 . . . . 0.0 112.372 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -38.95 89.5 Favored 'General case' 0 N--CA 1.502 2.163 0 C-N-CA 126.069 1.748 . . . . 0.0 110.27 173.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.0 tt -72.05 -39.25 69.21 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 125.178 1.391 . . . . 0.0 109.281 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.86 94.22 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 124.736 1.214 . . . . 0.0 112.193 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.76 -39.31 76.77 Favored 'General case' 0 N--CA 1.517 2.897 0 C-N-CA 125.956 1.702 . . . . 0.0 111.621 177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -72.67 -28.94 63.02 Favored 'General case' 0 CA--C 1.574 1.898 0 C-N-CA 125.066 1.347 . . . . 0.0 110.582 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.59 -46.62 63.09 Favored 'General case' 0 C--N 1.377 1.791 0 C-N-CA 124.057 0.943 . . . . 0.0 111.59 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.25 -40.12 82.03 Favored 'General case' 0 C--N 1.386 2.18 0 C-N-CA 125.017 1.327 . . . . 0.0 112.996 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.64 85.42 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 125.82 1.648 . . . . 0.0 112.05 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -73.43 -27.55 61.5 Favored 'General case' 0 C--N 1.376 1.728 0 C-N-CA 123.674 0.79 . . . . 0.0 112.633 176.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 34.6 mt -63.33 -45.81 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.392 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.37 -45.82 78.81 Favored 'General case' 0 N--CA 1.507 2.404 0 C-N-CA 124.803 1.241 . . . . 0.0 112.398 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.52 -42.82 64.37 Favored 'General case' 0 C--N 1.38 1.904 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -85.7 -46.33 10.83 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 28.0 mt-30 -65.22 -37.71 88.12 Favored 'General case' 0 N--CA 1.51 2.562 0 O-C-N 123.765 0.665 . . . . 0.0 112.75 -179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -75.67 -42.52 51.0 Favored 'General case' 0 CA--C 1.586 2.336 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 178.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -72.0 -31.94 66.7 Favored 'General case' 0 N--CA 1.514 2.752 0 CA-C-N 119.731 1.151 . . . . 0.0 110.152 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.99 -24.93 58.51 Favored 'General case' 0 C--N 1.383 2.03 0 C-N-CA 125.078 1.351 . . . . 0.0 110.799 175.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.5 85.26 Favored 'General case' 0 C--N 1.415 3.426 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 -177.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 p -79.57 -19.94 48.19 Favored 'General case' 0 C--N 1.395 2.558 0 C-N-CA 126.22 1.808 . . . . 0.0 111.687 176.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -70.21 -35.18 73.73 Favored 'General case' 0 N--CA 1.499 2.02 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.054 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.2 p -77.44 -11.87 59.89 Favored 'General case' 0 C--N 1.404 2.956 0 C-N-CA 124.586 1.154 . . . . 0.0 112.725 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 tt -93.51 -29.05 15.72 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 127.166 2.186 . . . . 0.0 110.083 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -83.36 8.19 14.37 Favored 'General case' 0 CA--C 1.57 1.718 0 C-N-CA 124.162 0.985 . . . . 0.0 112.459 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -78.47 -9.88 59.49 Favored 'General case' 0 N--CA 1.521 3.121 0 C-N-CA 125.701 1.6 . . . . 0.0 110.062 176.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -62.86 -46.51 87.53 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-N 109.911 -3.313 . . . . 0.0 104.729 169.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -148.46 -87.93 0.08 Allowed 'General case' 0 N--CA 1.528 3.446 0 N-CA-C 116.025 1.861 . . . . 0.0 116.025 176.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -32.18 -46.91 0.13 Allowed 'General case' 0 N--CA 1.526 3.345 0 N-CA-C 118.05 2.611 . . . . 0.0 118.05 -178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.15 -23.1 38.52 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -79.1 -4.03 48.29 Favored 'General case' 0 N--CA 1.507 2.412 0 C-N-CA 127.515 2.326 . . . . 0.0 113.488 -174.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 mt -75.67 -57.49 1.56 Allowed Pre-proline 0 CA--C 1.592 2.586 0 CA-C-O 116.431 -1.747 . . . . 0.0 110.926 -173.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -89.32 -8.5 4.62 Favored 'Trans proline' 1 C--N 1.455 6.158 0 CA-C-N 123.281 2.208 . . . . 0.0 115.838 174.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -108.54 -135.31 7.46 Favored Glycine 0 C--N 1.363 2.038 0 N-CA-C 116.867 1.507 . . . . 0.0 116.867 -176.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 106.72 -30.69 9.09 Favored Glycine 0 CA--C 1.542 1.735 0 CA-C-N 112.893 -1.653 . . . . 0.0 110.337 -173.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -119.88 -19.95 7.73 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 126.628 1.971 . . . . 0.0 110.565 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.83 -28.77 64.86 Favored 'General case' 0 N--CA 1.516 2.872 0 C-N-CA 125.26 1.424 . . . . 0.0 113.378 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -67.48 -35.12 78.54 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 125.129 1.372 . . . . 0.0 110.853 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -65.91 -35.69 81.31 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 125.57 1.548 . . . . 0.0 111.382 174.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -72.02 -49.54 36.03 Favored 'General case' 0 C--N 1.374 1.637 0 C-N-CA 123.639 0.776 . . . . 0.0 110.921 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.02 -60.9 2.52 Favored 'General case' 0 CA--C 1.589 2.479 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.86 -42.69 60.43 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 117.002 2.223 . . . . 0.0 117.002 -177.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 41.6 mt-10 -71.04 -37.16 72.56 Favored 'General case' 0 N--CA 1.51 2.56 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -67.55 -39.52 84.96 Favored 'General case' 0 C--N 1.386 2.193 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 178.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -70.02 -39.5 75.77 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 115.1 1.519 . . . . 0.0 115.1 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -70.5 -42.44 71.32 Favored 'General case' 0 N--CA 1.518 2.944 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -70.05 -36.95 75.38 Favored 'General case' 0 N--CA 1.503 2.219 0 C-N-CA 124.362 1.065 . . . . 0.0 112.561 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -73.49 -25.9 60.66 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 124.384 1.074 . . . . 0.0 112.537 177.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -48.33 68.26 Favored 'General case' 0 C--N 1.392 2.414 0 C-N-CA 125.165 1.386 . . . . 0.0 113.393 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -72.16 -38.2 69.2 Favored 'General case' 0 N--CA 1.508 2.459 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 152' ' ' LEU . 22.6 mt -59.92 -33.91 72.51 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 123.794 0.684 . . . . 0.0 110.326 174.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.3 mt -70.81 -34.87 72.18 Favored 'General case' 0 C--N 1.379 1.859 0 C-N-CA 124.684 1.194 . . . . 0.0 112.764 176.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.47 93.84 Favored 'General case' 0 C--N 1.408 3.114 0 C-N-CA 125.682 1.593 . . . . 0.0 111.93 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.0 mtt -63.83 -39.44 94.23 Favored 'General case' 0 C--N 1.389 2.317 0 O-C-N 125.026 1.454 . . . . 0.0 110.353 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 90.5 mttt -68.5 -38.75 81.24 Favored 'General case' 0 C--N 1.39 2.368 0 C-N-CA 124.74 1.216 . . . . 0.0 110.32 176.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -65.4 -36.97 85.56 Favored 'General case' 0 C--N 1.398 2.68 0 C-N-CA 125.206 1.402 . . . . 0.0 114.749 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.44 -39.89 85.44 Favored 'General case' 0 N--CA 1.508 2.433 0 C-N-CA 124.287 1.035 . . . . 0.0 111.114 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -76.24 -23.16 54.52 Favored 'General case' 0 C--N 1.382 1.996 0 C-N-CA 124.466 1.106 . . . . 0.0 112.486 177.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 43.2 mt-10 -69.04 -36.7 78.01 Favored 'General case' 0 N--CA 1.513 2.721 0 C-N-CA 125.269 1.428 . . . . 0.0 111.142 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -67.04 -39.36 86.94 Favored 'General case' 0 C--N 1.386 2.188 0 C-N-CA 124.831 1.253 . . . . 0.0 110.625 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.8 -37.76 79.47 Favored 'General case' 0 C--N 1.391 2.387 0 C-N-CA 124.946 1.298 . . . . 0.0 111.951 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -70.64 -33.48 71.04 Favored 'General case' 0 C--N 1.391 2.375 0 C-N-CA 124.911 1.284 . . . . 0.0 112.045 177.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.63 -37.9 87.88 Favored 'General case' 0 CA--C 1.573 1.851 0 C-N-CA 125.011 1.324 . . . . 0.0 113.124 176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -90.41 -40.23 12.18 Favored 'General case' 0 C--N 1.385 2.122 0 N-CA-C 116.142 1.905 . . . . 0.0 116.142 -177.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -105.8 -30.09 9.62 Favored 'General case' 0 C--N 1.394 2.505 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -174.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 55.31 26.32 8.48 Favored 'General case' 0 N--CA 1.532 3.67 0 C-N-CA 127.389 2.276 . . . . 0.0 116.494 -178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.45 137.77 63.67 Favored Pre-proline 0 N--CA 1.502 2.164 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -56.43 -15.19 14.52 Favored 'Trans proline' 1 C--N 1.435 5.121 0 C-N-CA 124.695 3.596 . . . . 0.0 116.784 177.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -68.68 -38.25 80.2 Favored 'General case' 0 N--CA 1.526 3.355 0 C-N-CA 124.268 1.027 . . . . 0.0 113.164 -178.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.507 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.2 OUTLIER -77.79 -30.01 51.11 Favored 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 126.664 1.985 . . . . 0.0 110.055 -179.649 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -68.67 -37.68 79.8 Favored 'General case' 0 C--N 1.376 1.747 0 C-N-CA 126.85 2.06 . . . . 0.0 110.198 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.9 -33.85 72.75 Favored 'General case' 0 C--N 1.38 1.893 0 C-N-CA 124.157 0.983 . . . . 0.0 110.71 173.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.14 -42.68 65.71 Favored 'General case' 0 N--CA 1.512 2.636 0 C-N-CA 125.087 1.355 . . . . 0.0 114.391 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 6.5 mt -66.68 -43.43 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.17 0 C-N-CA 125.309 1.444 . . . . 0.0 109.139 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 27.2 m -62.75 -42.03 99.48 Favored 'General case' 0 CA--C 1.588 2.436 0 C-N-CA 125.916 1.686 . . . . 0.0 111.272 177.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.58 -39.0 92.32 Favored 'General case' 0 N--CA 1.513 2.703 0 C-N-CA 124.603 1.161 . . . . 0.0 112.173 175.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.52 -26.88 61.07 Favored 'General case' 0 C--N 1.38 1.922 0 C-N-CA 125.127 1.371 . . . . 0.0 112.036 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.76 -36.96 85.99 Favored 'General case' 0 C--N 1.393 2.491 0 C-N-CA 125.796 1.638 . . . . 0.0 111.781 176.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -74.96 -35.53 62.1 Favored 'General case' 0 C--N 1.392 2.424 0 C-N-CA 125.564 1.546 . . . . 0.0 110.044 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -70.48 -33.35 71.13 Favored 'General case' 0 C--N 1.389 2.299 0 C-N-CA 125.441 1.496 . . . . 0.0 112.717 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 122' ' ' LEU . 1.0 OUTLIER -66.66 -37.83 85.61 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 124.873 1.269 . . . . 0.0 109.424 174.751 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 18.3 p -77.12 -35.57 56.18 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 123.767 0.667 . . . . 0.0 112.362 176.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -69.87 -35.06 74.38 Favored 'General case' 0 N--CA 1.518 2.958 0 C-N-CA 124.084 0.954 . . . . 0.0 113.179 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 82.5 m -69.4 -38.05 77.78 Favored 'General case' 0 C--N 1.386 2.187 0 C-N-CA 123.965 0.906 . . . . 0.0 110.205 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -58.35 -38.34 77.02 Favored 'General case' 0 C--N 1.393 2.483 0 C-N-CA 126.274 1.83 . . . . 0.0 112.303 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.9 m -67.19 -42.95 83.33 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 125.267 1.427 . . . . 0.0 110.799 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.46 -38.78 88.1 Favored 'General case' 0 C--N 1.382 2.01 0 C-N-CA 126.043 1.737 . . . . 0.0 112.576 179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 37.8 mt -67.88 -43.12 86.21 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.071 0 C-N-CA 126.074 1.749 . . . . 0.0 110.169 175.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.15 93.46 Favored 'General case' 0 C--N 1.39 2.36 0 C-N-CA 124.613 1.165 . . . . 0.0 113.857 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.74 -39.36 87.9 Favored 'General case' 0 N--CA 1.512 2.654 0 C-N-CA 125.04 1.336 . . . . 0.0 113.398 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.2 p -71.46 -31.9 67.7 Favored 'General case' 0 N--CA 1.51 2.547 0 C-N-CA 124.385 1.074 . . . . 0.0 112.549 178.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -69.04 -35.86 77.07 Favored 'General case' 0 N--CA 1.5 2.064 0 C-N-CA 125.153 1.381 . . . . 0.0 111.874 176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.57 -35.98 81.54 Favored 'General case' 0 N--CA 1.513 2.712 0 C-N-CA 125.389 1.475 . . . . 0.0 112.244 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -66.71 -33.7 76.22 Favored 'General case' 0 N--CA 1.501 2.096 0 C-N-CA 124.912 1.285 . . . . 0.0 111.507 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.8 mt -76.88 -33.03 57.85 Favored 'General case' 0 N--CA 1.501 2.106 0 C-N-CA 125.263 1.425 . . . . 0.0 112.358 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -69.38 -44.56 71.24 Favored 'General case' 0 N--CA 1.511 2.62 0 C-N-CA 126.305 1.842 . . . . 0.0 114.742 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -86.61 -34.57 19.81 Favored 'General case' 0 C--N 1.374 1.669 0 C-N-CA 125.367 1.467 . . . . 0.0 113.949 -177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . 0.298 0.9 OUTLIER 26.14 42.6 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.535 3.809 0 C-N-CA 128.268 2.627 . . . . 0.0 116.9 -175.472 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . 0.43 ' H ' ' H ' ' A' ' 171' ' ' ARG . 0.6 OUTLIER -154.53 -15.7 0.12 Allowed 'General case' 0 C--O 1.249 1.043 0 CA-C-N 111.486 -2.597 . . . . 0.0 109.529 179.461 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . 0.43 ' H ' ' H ' ' A' ' 170' ' ' THR . 92.7 mtt180 . . . . . 0 N--CA 1.53 3.552 0 C-N-CA 126.85 2.06 . . . . 0.0 113.198 -176.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 mtt . . . . . 0 N--CA 1.493 1.716 0 CA-C-O 121.013 0.435 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -101.72 -27.99 12.73 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 124.028 0.931 . . . . 0.0 112.798 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.43 125.51 29.11 Favored Pre-proline 0 CA--C 1.577 1.987 0 C-N-CA 123.819 0.847 . . . . 0.0 111.418 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -62.45 120.73 8.41 Favored 'Trans proline' 1 C--N 1.431 4.911 0 C-N-CA 123.666 2.911 . . . . 0.0 115.622 178.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.0 -49.61 4.06 Favored 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 123.963 0.905 . . . . 0.0 111.403 177.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.26 -37.93 51.98 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 125.361 1.464 . . . . 0.0 112.697 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.75 -32.18 70.56 Favored 'General case' 0 C--N 1.381 1.938 0 C-N-CA 124.327 1.051 . . . . 0.0 110.248 178.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -36.35 79.25 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 124.534 1.146 . . . . 0.0 111.26 176.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -72.12 -41.12 67.57 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 123.709 0.804 . . . . 0.0 110.889 177.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.11 -43.56 91.91 Favored 'General case' 0 C--N 1.388 2.282 0 O-C-N 124.506 1.129 . . . . 0.0 112.216 173.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -66.17 -40.15 90.29 Favored 'General case' 0 C--N 1.4 2.804 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.3 m -70.11 -36.72 75.06 Favored 'General case' 0 C--N 1.377 1.802 0 CA-C-O 117.246 -1.359 . . . . 0.0 110.172 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.29 -28.66 70.17 Favored 'General case' 0 N--CA 1.511 2.607 0 CA-C-N 119.173 0.897 . . . . 0.0 111.718 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.6 t -75.57 -46.85 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.125 0 C-N-CA 125.225 1.41 . . . . 0.0 110.584 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.57 -28.78 65.16 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 118.972 0.805 . . . . 0.0 111.212 175.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.44 94.63 Favored 'General case' 0 N--CA 1.507 2.384 0 C-N-CA 125.155 1.382 . . . . 0.0 108.803 171.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.98 -34.73 71.68 Favored 'General case' 0 C--N 1.375 1.693 0 CA-C-O 117.421 -1.276 . . . . 0.0 111.186 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -57.76 -42.79 84.71 Favored 'General case' 0 N--CA 1.531 3.599 0 C-N-CA 125.792 1.637 . . . . 0.0 112.699 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.66 -15.26 46.02 Favored 'General case' 0 CA--C 1.562 1.404 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mp -99.12 -18.61 17.62 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 123.706 0.803 . . . . 0.0 110.365 -176.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.1 pp -107.37 -19.13 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 125.255 1.422 . . . . 0.0 112.287 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -45.47 -69.81 0.73 Allowed Glycine 0 C--N 1.379 2.923 0 CA-C-O 116.894 -2.059 . . . . 0.0 114.016 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.31 -22.79 16.57 Favored 'Trans proline' 0 CA--C 1.597 3.666 0 CA-C-N 121.904 2.852 . . . . 0.0 116.705 174.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.0 0.3 57.47 Favored 'General case' 0 CA--C 1.587 2.381 0 C-N-CA 124.884 1.274 . . . . 0.0 113.462 177.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.427 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -67.46 -44.0 79.67 Favored 'General case' 0 N--CA 1.51 2.532 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 177.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.6 m -88.15 -34.12 17.97 Favored 'General case' 0 C--N 1.392 2.432 0 C-N-CA 123.789 0.836 . . . . 0.0 111.897 -178.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -98.77 120.18 38.78 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-N 114.106 -1.406 . . . . 0.0 112.028 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -108.12 123.85 49.33 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 123.738 0.815 . . . . 0.0 112.75 -178.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -135.48 -70.01 0.49 Allowed 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 124.497 1.119 . . . . 0.0 110.336 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -148.57 151.45 35.1 Favored 'General case' 0 CA--C 1.577 2.015 0 C-N-CA 125.507 1.523 . . . . 0.0 108.425 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.0 m -110.93 106.29 57.53 Favored Pre-proline 0 C--N 1.392 2.454 0 C-N-CA 123.387 0.675 . . . . 0.0 112.361 -178.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -81.52 -58.9 0.03 OUTLIER 'Trans proline' 1 C--N 1.435 5.099 0 C-N-CA 122.001 1.801 . . . . 0.0 116.111 177.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -120.6 17.44 12.03 Favored 'General case' 0 C--N 1.386 2.181 0 C-N-CA 125.119 1.367 . . . . 0.0 112.117 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -71.95 108.92 5.45 Favored 'General case' 0 N--CA 1.502 2.144 0 C-N-CA 123.58 0.752 . . . . 0.0 109.595 -177.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.26 95.4 5.55 Favored 'General case' 0 C--N 1.371 1.542 0 C-N-CA 118.728 -1.189 . . . . 0.0 111.305 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.01 0.58 47.54 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 113.733 -1.576 . . . . 0.0 113.402 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -77.97 -23.54 48.41 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 124.421 1.088 . . . . 0.0 111.546 178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 mt -93.03 -6.56 47.99 Favored 'General case' 0 C--N 1.39 2.334 0 C-N-CA 123.361 0.664 . . . . 0.0 112.392 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -118.2 153.17 34.31 Favored 'General case' 0 C--N 1.383 2.022 0 C-N-CA 123.73 0.812 . . . . 0.0 112.764 -178.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.46 104.9 9.0 Favored 'General case' 0 C--N 1.385 2.128 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.474 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 0.5 OUTLIER -174.79 174.37 2.6 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 113.51 -1.677 . . . . 0.0 110.964 -178.223 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -87.99 -40.85 13.55 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 175.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 59.21 65.71 3.28 Favored Glycine 0 N--CA 1.509 3.512 0 N-CA-C 119.802 2.681 . . . . 0.0 119.802 169.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.89 21.13 4.97 Favored 'General case' 0 C--N 1.371 1.506 0 CA-C-N 119.805 1.803 . . . . 0.0 106.632 176.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.456 ' HG2' ' H ' ' A' ' 47' ' ' GLY . 66.6 ttt180 -150.23 144.0 25.33 Favored 'General case' 0 C--N 1.385 2.112 0 C-N-CA 126.022 1.729 . . . . 0.0 110.333 -176.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.427 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -70.44 -24.25 62.86 Favored 'General case' 0 N--CA 1.521 3.079 0 C-N-CA 123.991 0.917 . . . . 0.0 110.429 173.086 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.456 ' H ' ' HG2' ' A' ' 45' ' ' ARG . . . -62.3 -39.26 97.49 Favored Glycine 0 C--N 1.378 2.914 0 C-N-CA 125.134 1.35 . . . . 0.0 115.918 177.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.474 ' HB3' ' SG ' ' A' ' 41' ' ' CYS . 3.0 m-20 -73.83 -26.75 60.76 Favored 'General case' 0 N--CA 1.517 2.879 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -177.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -82.85 -29.79 29.15 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.9 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.61 -37.07 60.07 Favored 'General case' 0 C--N 1.376 1.725 0 C-N-CA 125.195 1.398 . . . . 0.0 112.691 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -30.45 68.31 Favored 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 125.247 1.419 . . . . 0.0 111.137 176.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -77.63 -29.77 51.93 Favored 'General case' 0 C--N 1.375 1.7 0 C-N-CA 123.687 0.795 . . . . 0.0 109.923 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.14 71.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 125.136 1.522 . . . . 0.0 111.905 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -36.7 74.87 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 123.685 0.794 . . . . 0.0 111.797 174.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.27 -25.37 61.58 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 126.386 1.874 . . . . 0.0 112.536 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.4 m -77.45 -32.79 54.69 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 124.176 0.991 . . . . 0.0 109.873 178.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.61 -39.38 70.52 Favored 'General case' 0 CA--C 1.583 2.236 0 C-N-CA 125.51 1.524 . . . . 0.0 111.687 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.5 p -70.68 -44.57 66.74 Favored 'General case' 0 N--CA 1.509 2.514 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -75.04 -27.93 60.22 Favored 'General case' 0 N--CA 1.523 3.179 0 CA-C-N 120.979 1.718 . . . . 0.0 113.824 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mt -70.06 -32.13 70.09 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 123.641 0.776 . . . . 0.0 111.492 176.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 0.1 OUTLIER -68.62 -30.75 69.54 Favored 'General case' 0 C--N 1.386 2.179 0 C-N-CA 125.449 1.5 . . . . 0.0 111.27 175.524 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.35 -39.64 92.61 Favored 'General case' 0 C--N 1.39 2.334 0 C-N-CA 124.359 1.063 . . . . 0.0 112.024 177.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.83 -27.54 68.95 Favored 'General case' 0 C--N 1.394 2.52 0 C-N-CA 125.065 1.346 . . . . 0.0 112.841 173.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 83.2 t -64.85 -38.98 84.12 Favored 'Isoleucine or valine' 0 C--N 1.382 1.985 0 C-N-CA 125.271 1.428 . . . . 0.0 108.374 174.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -64.53 -24.84 67.74 Favored 'General case' 0 N--CA 1.511 2.617 0 C-N-CA 125.581 1.553 . . . . 0.0 111.746 173.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -70.87 -39.51 72.83 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 118.856 0.753 . . . . 0.0 109.166 171.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.5 27.95 4.21 Favored Glycine 0 C--N 1.378 2.906 0 N-CA-C 115.854 1.101 . . . . 0.0 115.854 171.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.5 114.95 27.25 Favored 'General case' 0 C--N 1.372 1.581 0 CA-C-O 121.955 0.884 . . . . 0.0 110.02 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.34 -27.34 63.3 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 113.017 -1.901 . . . . 0.0 112.361 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.0 m -71.34 -37.92 71.69 Favored 'General case' 0 CA--C 1.571 1.773 0 C-N-CA 125.273 1.429 . . . . 0.0 110.279 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -74.72 -22.58 58.74 Favored 'General case' 0 C--N 1.388 2.254 0 C-N-CA 124.403 1.081 . . . . 0.0 112.005 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.3 t -76.29 -46.44 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 C-N-CA 125.675 1.59 . . . . 0.0 109.517 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.9 -37.32 81.59 Favored 'General case' 0 C--N 1.383 2.033 0 C-N-CA 127.159 2.184 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -66.53 -37.96 86.14 Favored 'General case' 0 N--CA 1.503 2.209 0 C-N-CA 126.711 2.004 . . . . 0.0 110.26 173.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.26 -38.69 68.81 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 125.499 1.52 . . . . 0.0 109.116 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.7 91.52 Favored 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 125.103 1.361 . . . . 0.0 112.245 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -69.79 -38.74 76.76 Favored 'General case' 0 N--CA 1.519 3.009 0 C-N-CA 126.024 1.729 . . . . 0.0 111.187 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -72.93 -29.26 62.97 Favored 'General case' 0 CA--C 1.574 1.885 0 C-N-CA 125.366 1.466 . . . . 0.0 110.611 174.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.52 -46.76 63.01 Favored 'General case' 0 C--N 1.377 1.762 0 C-N-CA 124.209 1.003 . . . . 0.0 111.9 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.4 -39.74 81.56 Favored 'General case' 0 C--N 1.384 2.105 0 C-N-CA 124.886 1.274 . . . . 0.0 112.914 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.51 -37.28 82.57 Favored 'General case' 0 C--N 1.388 2.281 0 C-N-CA 125.818 1.647 . . . . 0.0 112.399 178.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -73.55 -27.67 61.46 Favored 'General case' 0 C--N 1.375 1.716 0 C-N-CA 123.755 0.822 . . . . 0.0 112.638 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.492 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 28.6 mt -63.51 -45.64 97.25 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.275 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 175.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 2.0 mt-10 -66.93 -45.97 76.22 Favored 'General case' 0 N--CA 1.501 2.076 0 C-N-CA 124.475 1.11 . . . . 0.0 112.505 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.82 -44.88 54.39 Favored 'General case' 0 C--N 1.378 1.806 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.9 mp -85.63 -44.76 12.33 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -174.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.492 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 34.9 mt-30 -68.5 -37.75 80.37 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 124.0 0.813 . . . . 0.0 113.016 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 6.5 mtt180 -78.17 -34.03 49.9 Favored 'General case' 0 C--N 1.387 2.206 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 178.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.07 -25.01 51.86 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-N 119.098 0.863 . . . . 0.0 109.634 177.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.6 57.22 Favored 'General case' 0 C--N 1.389 2.297 0 C-N-CA 124.402 1.081 . . . . 0.0 109.424 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.3 -29.22 63.65 Favored 'General case' 0 C--N 1.403 2.893 0 C-N-CA 125.638 1.575 . . . . 0.0 112.683 178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.05 -22.56 27.15 Favored 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.373 1.069 . . . . 0.0 109.821 175.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.59 -27.23 51.25 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 125.37 1.468 . . . . 0.0 112.067 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.3 p -78.63 -11.3 59.96 Favored 'General case' 0 N--CA 1.514 2.744 0 C-N-CA 125.384 1.474 . . . . 0.0 111.471 178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 7.3 tt -93.17 -38.08 11.76 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 127.342 2.257 . . . . 0.0 109.498 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -76.85 -0.4 23.91 Favored 'General case' 0 C--N 1.372 1.549 0 C-N-CA 124.901 1.28 . . . . 0.0 111.74 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -72.26 -10.89 60.38 Favored 'General case' 0 N--CA 1.509 2.492 0 C-N-CA 125.664 1.586 . . . . 0.0 112.248 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -60.66 -44.83 95.98 Favored 'General case' 0 CA--C 1.576 1.954 0 CA-C-N 110.318 -3.128 . . . . 0.0 106.129 170.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -154.57 -33.67 0.1 Allowed 'General case' 1 N--CA 1.541 4.107 0 N-CA-C 119.848 3.277 . . . . 0.0 119.848 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -92.16 -38.18 12.3 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 124.867 1.267 . . . . 0.0 113.604 -175.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.29 -23.9 34.97 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -81.3 -1.23 44.39 Favored 'General case' 0 C--N 1.382 2.017 0 C-N-CA 126.995 2.118 . . . . 0.0 111.159 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.4 mt -65.81 -53.13 37.52 Favored Pre-proline 0 C--N 1.389 2.319 0 CA-C-O 115.327 -2.273 . . . . 0.0 112.977 -171.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -64.74 -40.72 21.15 Favored 'Trans proline' 1 C--N 1.459 6.351 0 CA-C-N 124.586 2.673 . . . . 0.0 113.819 174.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.36 151.13 24.0 Favored Glycine 0 C--N 1.374 2.673 0 N-CA-C 116.066 1.186 . . . . 0.0 116.066 173.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 96.05 -126.58 8.84 Favored Glycine 0 N--CA 1.473 1.14 0 N-CA-C 118.366 2.106 . . . . 0.0 118.366 172.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.7 mtm180 -92.79 21.43 5.6 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 116.124 1.898 . . . . 0.0 116.124 -175.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.18 -43.16 71.35 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 119.488 1.04 . . . . 0.0 112.502 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -72.72 -34.8 67.35 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 125.044 1.337 . . . . 0.0 111.588 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.15 -36.89 84.32 Favored 'General case' 0 C--N 1.383 2.06 0 C-N-CA 125.563 1.545 . . . . 0.0 111.087 173.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 3.0 mpt_? -75.08 -50.51 16.18 Favored 'General case' 0 C--N 1.371 1.529 0 CA-C-O 118.587 -0.72 . . . . 0.0 111.106 176.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.47 -60.35 3.03 Favored 'General case' 0 CA--C 1.597 2.778 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -81.96 -42.35 19.54 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 117.046 2.239 . . . . 0.0 117.046 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 40.0 mt-10 -71.76 -35.52 70.11 Favored 'General case' 0 N--CA 1.512 2.651 0 CA-C-N 119.597 1.089 . . . . 0.0 113.688 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.54 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 6.3 m-85 -66.76 -41.03 88.41 Favored 'General case' 0 C--N 1.394 2.537 0 CA-C-O 118.606 -0.712 . . . . 0.0 111.673 177.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -66.09 -37.61 86.21 Favored 'General case' 0 C--N 1.394 2.515 0 N-CA-C 115.647 1.721 . . . . 0.0 115.647 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.5 -42.87 82.15 Favored 'General case' 0 N--CA 1.519 2.992 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -70.73 -34.64 72.11 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 124.244 1.018 . . . . 0.0 112.29 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -72.58 -26.88 61.87 Favored 'General case' 0 C--N 1.379 1.89 0 C-N-CA 124.977 1.311 . . . . 0.0 112.404 177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -47.31 69.08 Favored 'General case' 0 C--N 1.39 2.336 0 C-N-CA 125.147 1.379 . . . . 0.0 113.16 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -72.13 -38.78 69.17 Favored 'General case' 0 N--CA 1.509 2.523 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.9 -33.26 72.85 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 123.686 0.616 . . . . 0.0 110.464 174.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.69 -34.65 72.2 Favored 'General case' 0 C--N 1.38 1.933 0 C-N-CA 124.951 1.301 . . . . 0.0 111.794 176.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.51 91.41 Favored 'General case' 0 C--N 1.41 3.205 0 C-N-CA 125.579 1.552 . . . . 0.0 112.408 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.8 mtt -64.53 -39.52 93.92 Favored 'General case' 0 C--N 1.388 2.259 0 O-C-N 124.826 1.329 . . . . 0.0 110.52 176.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -70.08 -38.62 75.75 Favored 'General case' 0 C--N 1.383 2.024 0 C-N-CA 124.412 1.085 . . . . 0.0 110.635 176.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.48 -38.72 92.21 Favored 'General case' 0 C--N 1.397 2.647 0 C-N-CA 125.062 1.345 . . . . 0.0 114.57 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.33 -40.01 77.84 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 124.09 0.956 . . . . 0.0 111.234 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -74.11 -28.47 61.37 Favored 'General case' 0 N--CA 1.503 2.221 0 C-N-CA 124.322 1.049 . . . . 0.0 112.854 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -69.01 -36.09 77.41 Favored 'General case' 0 N--CA 1.514 2.764 0 C-N-CA 125.376 1.471 . . . . 0.0 111.62 176.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -66.27 -38.73 88.52 Favored 'General case' 0 C--N 1.388 2.259 0 C-N-CA 125.066 1.347 . . . . 0.0 110.377 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -68.63 -36.81 79.12 Favored 'General case' 0 C--N 1.388 2.263 0 C-N-CA 125.0 1.32 . . . . 0.0 111.736 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -70.13 -33.14 71.45 Favored 'General case' 0 C--N 1.392 2.445 0 C-N-CA 125.006 1.322 . . . . 0.0 111.97 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.4 -38.54 90.26 Favored 'General case' 0 CA--C 1.573 1.846 0 C-N-CA 125.001 1.32 . . . . 0.0 113.169 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -91.36 -38.72 12.44 Favored 'General case' 0 C--N 1.385 2.151 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -105.69 -29.85 9.83 Favored 'General case' 0 C--N 1.394 2.506 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -175.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 56.38 27.49 12.09 Favored 'General case' 0 N--CA 1.53 3.532 0 C-N-CA 127.386 2.274 . . . . 0.0 116.554 -178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.57 136.97 59.19 Favored Pre-proline 0 N--CA 1.502 2.166 0 N-CA-C 113.296 0.851 . . . . 0.0 113.296 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -57.29 -15.01 17.26 Favored 'Trans proline' 1 C--N 1.436 5.135 0 C-N-CA 124.775 3.65 . . . . 0.0 116.678 177.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 52.1 mt-30 -68.73 -37.63 79.6 Favored 'General case' 0 N--CA 1.528 3.436 0 C-N-CA 124.517 1.127 . . . . 0.0 113.187 -177.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.3 OUTLIER -77.72 -29.28 51.15 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 126.381 1.872 . . . . 0.0 110.359 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -70.09 -37.81 75.52 Favored 'General case' 0 C--N 1.375 1.71 0 C-N-CA 127.026 2.13 . . . . 0.0 111.267 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.28 -34.6 72.97 Favored 'General case' 0 C--N 1.379 1.882 0 O-C-N 124.158 0.911 . . . . 0.0 110.35 173.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 36.9 mt-10 -72.74 -41.94 64.61 Favored 'General case' 0 C--N 1.393 2.492 0 C-N-CA 125.145 1.378 . . . . 0.0 113.703 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.15 -38.81 78.56 Favored 'Isoleucine or valine' 0 C--N 1.401 2.82 0 C-N-CA 124.799 1.24 . . . . 0.0 112.277 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.0 m -66.93 -38.82 86.9 Favored 'General case' 0 CA--C 1.582 2.191 0 C-N-CA 125.783 1.633 . . . . 0.0 110.151 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.95 95.16 Favored 'General case' 0 N--CA 1.514 2.761 0 C-N-CA 124.737 1.215 . . . . 0.0 112.444 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 23.2 mt -73.65 -27.41 61.24 Favored 'General case' 0 C--N 1.378 1.833 0 C-N-CA 125.14 1.376 . . . . 0.0 111.736 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -36.62 83.33 Favored 'General case' 0 C--N 1.392 2.414 0 C-N-CA 125.82 1.648 . . . . 0.0 112.255 176.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -74.83 -36.16 62.41 Favored 'General case' 0 C--N 1.391 2.392 0 C-N-CA 125.383 1.473 . . . . 0.0 109.941 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -71.43 -33.96 69.88 Favored 'General case' 0 C--N 1.386 2.192 0 C-N-CA 125.322 1.449 . . . . 0.0 112.566 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.28 -38.18 89.46 Favored 'General case' 0 C--N 1.38 1.923 0 C-N-CA 124.38 1.072 . . . . 0.0 110.064 174.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.2 p -77.14 -39.1 50.44 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 123.822 0.701 . . . . 0.0 112.569 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -71.49 -32.91 68.78 Favored 'General case' 0 N--CA 1.516 2.826 0 C-N-CA 124.117 0.967 . . . . 0.0 113.566 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 3.9 t -73.59 -37.86 65.31 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 123.744 0.817 . . . . 0.0 109.7 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -58.31 -38.21 76.62 Favored 'General case' 0 C--N 1.396 2.594 0 C-N-CA 125.902 1.681 . . . . 0.0 112.71 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 6.4 m -71.5 -40.83 69.93 Favored 'General case' 0 CA--C 1.581 2.153 0 C-N-CA 124.899 1.28 . . . . 0.0 111.092 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -68.63 -37.99 80.17 Favored 'General case' 0 C--N 1.381 1.97 0 C-N-CA 126.019 1.728 . . . . 0.0 113.07 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 30.7 mt -65.68 -42.7 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 126.387 1.875 . . . . 0.0 110.902 176.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.69 97.46 Favored 'General case' 0 C--N 1.39 2.329 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.55 -41.36 72.56 Favored 'General case' 0 N--CA 1.515 2.777 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.4 p -71.2 -37.13 72.11 Favored 'General case' 0 N--CA 1.51 2.529 0 C-N-CA 124.13 0.972 . . . . 0.0 113.362 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -73.48 -30.98 63.49 Favored 'General case' 0 C--N 1.377 1.766 0 C-N-CA 124.286 1.034 . . . . 0.0 112.891 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -69.07 -37.01 78.25 Favored 'General case' 0 N--CA 1.509 2.511 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.77 74.0 Favored 'General case' 0 C--N 1.377 1.762 0 CA-C-N 114.724 -1.125 . . . . 0.0 110.829 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.1 mt -73.31 -32.35 64.54 Favored 'General case' 0 C--N 1.388 2.27 0 C-N-CA 126.017 1.727 . . . . 0.0 112.576 178.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -72.93 -27.64 61.97 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 125.168 1.387 . . . . 0.0 113.616 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.95 -15.81 43.12 Favored 'General case' 0 C--N 1.382 2.014 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.74 -10.36 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 C-N-CA 123.669 0.788 . . . . 0.0 112.213 -177.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.43 4.6 43.9 Favored 'General case' 0 CA--C 1.576 1.947 0 C-N-CA 124.958 1.303 . . . . 0.0 111.482 178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 . . . . . 0 N--CA 1.527 3.416 0 C-N-CA 127.269 2.227 . . . . 0.0 112.844 -175.645 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mmt . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 119.386 -0.34 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -119.4 134.9 54.99 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 124.268 1.027 . . . . 0.0 111.606 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.09 123.16 30.39 Favored Pre-proline 0 CA--C 1.575 1.918 0 C-N-CA 123.862 0.865 . . . . 0.0 110.916 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -62.81 120.95 8.67 Favored 'Trans proline' 1 C--N 1.431 4.884 0 C-N-CA 123.356 2.704 . . . . 0.0 115.041 178.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.74 -50.9 3.72 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.479 0.712 . . . . 0.0 111.73 178.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.11 -38.15 52.77 Favored 'General case' 0 C--N 1.377 1.79 0 C-N-CA 124.595 1.158 . . . . 0.0 112.231 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -31.97 73.02 Favored 'General case' 0 C--N 1.381 1.957 0 O-C-N 124.491 1.12 . . . . 0.0 109.782 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.68 -39.13 88.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 124.897 1.373 . . . . 0.0 111.78 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.8 m -79.19 -20.78 47.52 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 123.65 0.78 . . . . 0.0 112.749 177.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.65 -47.75 25.06 Favored 'General case' 0 CA--C 1.566 1.596 0 CA-C-N 114.293 -1.322 . . . . 0.0 110.191 177.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -36.31 74.95 Favored 'General case' 0 C--N 1.393 2.486 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -71.0 -36.32 72.42 Favored 'General case' 0 C--N 1.385 2.111 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.789 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -63.46 -29.54 70.81 Favored 'General case' 0 N--CA 1.504 2.266 0 O-C-N 123.735 0.647 . . . . 0.0 111.017 174.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.2 t -74.61 -45.66 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.384 0 C-N-CA 125.172 1.389 . . . . 0.0 110.935 177.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.67 -28.45 65.88 Favored 'General case' 0 N--CA 1.511 2.582 0 CA-C-N 119.194 0.907 . . . . 0.0 111.618 175.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.85 86.7 Favored 'General case' 0 N--CA 1.513 2.714 0 C-N-CA 126.26 1.824 . . . . 0.0 111.364 171.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -36.82 61.7 Favored 'General case' 0 C--N 1.382 1.992 0 C-N-CA 124.911 1.285 . . . . 0.0 110.739 177.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -63.21 -38.48 91.35 Favored 'General case' 0 N--CA 1.5 2.063 0 C-N-CA 127.078 2.151 . . . . 0.0 111.917 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -69.94 -29.7 66.91 Favored 'General case' 0 N--CA 1.511 2.589 0 C-N-CA 124.411 1.084 . . . . 0.0 111.804 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.77 -18.36 44.4 Favored 'General case' 0 CA--C 1.587 2.369 0 C-N-CA 124.952 1.301 . . . . 0.0 111.815 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.6 mt -111.54 17.33 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.594 2.638 0 C-N-CA 128.209 2.604 . . . . 0.0 108.232 177.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.26 -87.5 0.07 OUTLIER Glycine 0 C--N 1.377 2.807 0 CA-C-O 116.339 -2.367 . . . . 0.0 112.914 -175.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -62.84 -2.15 3.32 Favored 'Trans proline' 1 C--N 1.423 4.463 0 CA-C-N 122.563 3.181 . . . . 0.0 114.744 174.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.4 -10.44 52.03 Favored 'General case' 0 CA--C 1.578 2.039 0 C-N-CA 127.348 2.259 . . . . 0.0 112.953 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.402 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -63.19 -45.14 93.14 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 126.913 2.085 . . . . 0.0 116.195 178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 44' ' ' ALA . 58.5 m -93.06 -32.72 14.37 Favored 'General case' 0 C--N 1.383 2.059 0 C-N-CA 124.087 0.955 . . . . 0.0 110.96 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -118.38 115.63 25.07 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-N 113.519 -1.673 . . . . 0.0 112.14 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -79.1 127.46 32.04 Favored 'General case' 0 N--CA 1.506 2.351 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -127.69 168.1 15.53 Favored 'General case' 0 N--CA 1.501 2.111 0 C-N-CA 125.536 1.535 . . . . 0.0 110.041 178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.77 90.33 1.41 Allowed 'General case' 0 CA--C 1.59 2.487 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -178.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.6 t -115.32 122.04 33.82 Favored Pre-proline 0 CA--C 1.584 2.28 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 176.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.03 -16.41 32.25 Favored 'Trans proline' 1 C--N 1.428 4.725 0 C-N-CA 123.215 2.61 . . . . 0.0 116.792 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -100.39 10.83 40.66 Favored 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 125.329 1.452 . . . . 0.0 113.649 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.59 106.91 0.85 Allowed 'General case' 0 N--CA 1.502 2.172 0 C-N-CA 123.942 0.897 . . . . 0.0 111.955 -173.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.02 94.24 3.22 Favored 'General case' 0 C--N 1.373 1.6 0 CA-C-O 121.877 0.846 . . . . 0.0 111.21 177.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -85.8 -0.24 54.75 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 113.717 -1.583 . . . . 0.0 114.178 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -80.37 -21.74 42.08 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 123.59 0.756 . . . . 0.0 111.716 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mt -88.1 -3.42 58.89 Favored 'General case' 0 C--N 1.389 2.325 0 C-N-CA 124.331 1.052 . . . . 0.0 112.175 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -122.76 157.42 32.4 Favored 'General case' 0 C--N 1.375 1.685 0 C-N-CA 125.124 1.37 . . . . 0.0 112.376 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.06 112.68 18.06 Favored 'General case' 0 C--N 1.375 1.717 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 t -136.02 159.79 40.62 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.692 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -106.8 48.25 0.85 Allowed 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.31 -69.23 0.48 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 118.029 1.972 . . . . 0.0 118.029 170.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 26' ' ' SER . . . -175.35 65.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 CA-C-N 118.72 1.26 . . . . 0.0 109.473 -178.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -140.5 136.95 33.45 Favored 'General case' 0 CA--C 1.559 1.305 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.402 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -70.16 -25.91 63.67 Favored 'General case' 0 N--CA 1.526 3.365 0 O-C-N 124.017 0.823 . . . . 0.0 108.981 170.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.73 -36.74 93.73 Favored Glycine 0 C--N 1.379 2.969 0 C-N-CA 125.264 1.412 . . . . 0.0 114.719 176.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -79.52 -24.37 42.27 Favored 'General case' 0 C--N 1.392 2.437 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -177.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -81.25 -30.65 34.05 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.4 -38.4 55.71 Favored 'General case' 0 C--N 1.374 1.656 0 C-N-CA 125.404 1.482 . . . . 0.0 113.17 178.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.42 -30.52 67.41 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 125.51 1.524 . . . . 0.0 111.527 177.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -81.18 -29.46 34.61 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 123.377 0.671 . . . . 0.0 109.75 178.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.24 -38.17 66.1 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-N 113.793 -1.549 . . . . 0.0 111.646 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -68.72 -37.39 79.43 Favored 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 124.497 1.119 . . . . 0.0 110.139 175.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -72.19 -24.38 61.41 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 126.496 1.919 . . . . 0.0 112.17 177.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.37 -30.6 42.63 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 124.034 0.934 . . . . 0.0 109.443 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.89 -40.92 65.19 Favored 'General case' 0 C--N 1.384 2.099 0 C-N-CA 124.628 1.171 . . . . 0.0 111.031 176.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.0 p -70.99 -30.33 66.55 Favored 'General case' 0 N--CA 1.505 2.295 0 C-N-CA 125.615 1.566 . . . . 0.0 113.215 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -77.75 -36.77 50.33 Favored 'General case' 0 N--CA 1.505 2.307 0 C-N-CA 123.462 0.705 . . . . 0.0 112.303 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -71.13 -30.83 66.98 Favored 'General case' 0 C--N 1.391 2.401 0 C-N-CA 124.825 1.25 . . . . 0.0 111.713 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.491 ' O ' HG22 ' A' ' 64' ' ' VAL . 1.9 mt-10 -67.78 -33.97 75.88 Favored 'General case' 0 N--CA 1.502 2.137 0 C-N-CA 126.206 1.802 . . . . 0.0 111.824 176.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.67 93.76 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 123.53 0.732 . . . . 0.0 109.704 177.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -31.28 72.43 Favored 'General case' 0 C--N 1.394 2.523 0 N-CA-C 115.948 1.833 . . . . 0.0 115.948 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 61' ' ' GLU . 15.8 m -68.89 -31.18 49.56 Favored 'Isoleucine or valine' 0 C--N 1.391 2.402 0 CA-C-O 121.752 0.787 . . . . 0.0 111.534 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -74.54 -10.43 59.54 Favored 'General case' 0 CA--C 1.577 1.997 0 C-N-CA 126.826 2.05 . . . . 0.0 111.618 172.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -96.54 -11.12 25.88 Favored 'General case' 0 CA--C 1.575 1.913 0 C-N-CA 125.199 1.4 . . . . 0.0 111.609 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.82 52.48 3.12 Favored Glycine 0 C--N 1.381 3.051 0 N-CA-C 116.497 1.359 . . . . 0.0 116.497 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.14 91.76 3.63 Favored 'General case' 0 C--N 1.372 1.58 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 177.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.61 -20.67 61.24 Favored 'General case' 0 N--CA 1.506 2.354 0 CA-C-N 113.875 -1.511 . . . . 0.0 112.414 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.7 m -70.82 -35.64 72.58 Favored 'General case' 0 CA--C 1.571 1.766 0 C-N-CA 125.437 1.495 . . . . 0.0 109.899 175.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -76.48 -20.45 56.96 Favored 'General case' 0 C--N 1.393 2.499 0 C-N-CA 123.646 0.778 . . . . 0.0 111.774 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.2 t -74.69 -50.98 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 C-N-CA 126.662 1.985 . . . . 0.0 109.266 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.85 -36.06 77.68 Favored 'General case' 0 C--N 1.376 1.76 0 C-N-CA 126.677 1.991 . . . . 0.0 112.797 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -65.74 -41.58 92.01 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 125.427 1.491 . . . . 0.0 110.419 173.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -73.99 -33.87 63.99 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 123.812 0.845 . . . . 0.0 110.991 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.14 -39.99 90.28 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 124.282 1.033 . . . . 0.0 111.994 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.43 -37.81 74.46 Favored 'General case' 0 N--CA 1.516 2.859 0 C-N-CA 125.707 1.603 . . . . 0.0 111.169 176.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -70.86 -32.72 69.81 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 125.785 1.634 . . . . 0.0 111.059 174.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.7 -45.76 77.77 Favored 'General case' 0 CA--C 1.569 1.704 0 C-N-CA 123.98 0.912 . . . . 0.0 111.495 177.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.482 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -69.23 -40.17 78.08 Favored 'General case' 0 C--N 1.386 2.17 0 C-N-CA 125.091 1.357 . . . . 0.0 113.153 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.55 81.32 Favored 'General case' 0 C--N 1.388 2.274 0 C-N-CA 125.876 1.67 . . . . 0.0 112.153 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -73.34 -27.17 61.36 Favored 'General case' 0 C--N 1.375 1.708 0 CA-C-O 118.306 -0.854 . . . . 0.0 112.284 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 80' ' ' ALA . 21.7 mt -62.76 -45.39 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 CA-C-N 118.658 0.663 . . . . 0.0 109.866 176.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.15 -45.1 82.2 Favored 'General case' 0 N--CA 1.505 2.323 0 C-N-CA 124.668 1.187 . . . . 0.0 112.353 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.02 -43.9 56.37 Favored 'General case' 0 C--N 1.38 1.928 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.5 -44.78 13.29 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -175.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 16.9 mt-30 -68.36 -36.48 79.26 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-N 119.339 0.972 . . . . 0.0 112.715 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -78.64 -40.72 33.45 Favored 'General case' 0 CA--C 1.592 2.589 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -75.78 -30.79 59.23 Favored 'General case' 0 C--N 1.399 2.747 0 CA-C-O 121.19 0.519 . . . . 0.0 109.762 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.74 -22.95 49.52 Favored 'General case' 0 C--N 1.383 2.048 0 C-N-CA 125.287 1.435 . . . . 0.0 110.806 174.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.66 -47.11 85.13 Favored 'General case' 0 C--N 1.417 3.506 0 N-CA-C 114.611 1.338 . . . . 0.0 114.611 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -79.96 -27.43 39.75 Favored 'General case' 0 C--N 1.391 2.388 0 C-N-CA 124.347 1.059 . . . . 0.0 111.561 174.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.14 62.48 Favored 'General case' 0 C--N 1.377 1.792 0 C-N-CA 124.295 1.038 . . . . 0.0 112.696 173.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 76.0 p -60.04 -8.43 2.35 Favored 'General case' 1 N--CA 1.54 4.073 0 C-N-CA 125.824 1.65 . . . . 0.0 113.674 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.75 -58.13 2.58 Favored 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 126.487 1.915 . . . . 0.0 115.551 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -71.79 -6.3 40.46 Favored 'General case' 0 N--CA 1.517 2.877 0 CA-C-O 123.281 1.515 . . . . 0.0 109.333 178.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.832 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 2.1 ttt180 -62.74 -37.12 85.34 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 129.389 3.076 . . . . 0.0 116.869 178.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -88.43 -4.49 58.63 Favored 'General case' 0 C--N 1.376 1.758 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -171.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -115.61 -40.96 3.3 Favored 'General case' 0 N--CA 1.51 2.53 0 N-CA-C 117.737 2.495 . . . . 0.0 117.737 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -120.29 -22.82 6.41 Favored 'General case' 0 N--CA 1.507 2.409 0 CA-C-N 119.481 1.037 . . . . 0.0 113.619 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.832 ' HB3' ' HA ' ' A' ' 97' ' ' ARG . . . -86.68 -23.16 25.7 Favored 'General case' 0 N--CA 1.513 2.694 0 C-N-CA 124.926 1.29 . . . . 0.0 114.425 178.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 28.2 t-80 -67.68 -55.19 14.18 Favored 'General case' 0 CA--C 1.575 1.941 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.0 mt -69.0 -36.62 7.84 Favored Pre-proline 0 N--CA 1.51 2.557 0 N-CA-C 120.998 3.703 . . . . 0.0 120.998 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.87 -23.12 57.57 Favored 'Trans proline' 1 C--N 1.444 5.554 0 CA-C-N 125.119 2.864 . . . . 0.0 118.184 -175.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -135.99 -25.28 0.49 Allowed Glycine 0 C--N 1.359 1.816 0 CA-C-O 118.184 -1.342 . . . . 0.0 114.26 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 115.42 -67.37 0.28 Allowed Glycine 0 C--N 1.382 3.121 0 CA-C-N 118.582 1.191 . . . . 0.0 110.583 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -136.26 60.38 1.67 Allowed 'General case' 0 CA--C 1.557 1.218 0 CA-C-N 113.119 -1.541 . . . . 0.0 107.893 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.23 -41.67 99.14 Favored 'General case' 0 N--CA 1.515 2.823 0 C-N-CA 123.735 0.814 . . . . 0.0 112.939 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -36.88 79.38 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.383 1.873 . . . . 0.0 112.116 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -70.24 -29.16 65.9 Favored 'General case' 0 C--N 1.379 1.877 0 O-C-N 124.356 1.035 . . . . 0.0 111.023 173.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.564 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 3.4 mpt_? -76.17 -45.26 34.24 Favored 'General case' 0 C--N 1.372 1.557 0 C-N-CA 123.648 0.779 . . . . 0.0 110.357 174.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.38 -61.75 2.03 Favored 'General case' 0 CA--C 1.591 2.554 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.0 -45.8 32.74 Favored 'General case' 0 C--N 1.386 2.194 0 N-CA-C 116.905 2.187 . . . . 0.0 116.905 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.482 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 39.5 mt-10 -72.53 -33.89 67.19 Favored 'General case' 0 N--CA 1.509 2.488 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -178.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.564 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 5.3 m-85 -67.54 -38.45 84.21 Favored 'General case' 0 C--N 1.39 2.358 0 CA-C-O 118.77 -0.633 . . . . 0.0 111.708 177.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -66.94 -39.47 87.33 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 177.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.58 -42.19 71.36 Favored 'General case' 0 N--CA 1.519 2.988 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -70.45 -36.71 74.1 Favored 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 124.33 1.052 . . . . 0.0 112.536 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 42.2 mt-10 -74.8 -23.32 58.48 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 124.247 1.019 . . . . 0.0 112.101 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -65.44 -49.97 67.13 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 125.513 1.525 . . . . 0.0 113.284 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -72.65 -39.0 67.52 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.01 -33.51 73.37 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 123.544 0.527 . . . . 0.0 110.437 174.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 119' ' ' GLU . 0.2 OUTLIER -70.3 -34.8 73.17 Favored 'General case' 0 C--N 1.379 1.86 0 C-N-CA 125.039 1.336 . . . . 0.0 112.117 175.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.26 88.6 Favored 'General case' 0 C--N 1.408 3.134 0 C-N-CA 125.627 1.571 . . . . 0.0 112.52 -178.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.4 mtt -64.18 -39.43 93.98 Favored 'General case' 0 C--N 1.388 2.262 0 O-C-N 124.787 1.304 . . . . 0.0 110.523 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -69.41 -38.15 77.79 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 125.165 1.386 . . . . 0.0 110.668 176.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -65.7 -37.42 86.41 Favored 'General case' 0 C--N 1.399 2.753 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -178.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.98 -39.58 83.27 Favored 'General case' 0 N--CA 1.509 2.494 0 C-N-CA 124.434 1.094 . . . . 0.0 111.169 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -74.46 -25.8 59.64 Favored 'General case' 0 C--N 1.385 2.114 0 C-N-CA 124.597 1.159 . . . . 0.0 112.404 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -68.55 -36.12 78.36 Favored 'General case' 0 N--CA 1.514 2.733 0 C-N-CA 125.488 1.515 . . . . 0.0 111.252 175.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -66.81 -38.35 86.32 Favored 'General case' 0 C--N 1.389 2.307 0 C-N-CA 125.131 1.372 . . . . 0.0 110.399 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.93 -34.95 74.14 Favored 'General case' 0 C--N 1.389 2.295 0 C-N-CA 124.973 1.309 . . . . 0.0 111.524 176.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -68.32 -36.93 80.04 Favored 'General case' 0 C--N 1.393 2.461 0 C-N-CA 124.993 1.317 . . . . 0.0 111.457 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.67 -37.96 89.37 Favored 'General case' 0 CA--C 1.571 1.757 0 C-N-CA 125.331 1.452 . . . . 0.0 113.469 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -90.74 -38.84 12.77 Favored 'General case' 0 C--N 1.387 2.2 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -177.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -108.47 -30.22 8.39 Favored 'General case' 0 C--N 1.396 2.603 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -174.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 56.11 26.03 9.69 Favored 'General case' 0 N--CA 1.532 3.653 0 C-N-CA 127.452 2.301 . . . . 0.0 116.686 -178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.44 138.93 59.21 Favored Pre-proline 0 N--CA 1.503 2.175 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -56.97 -14.89 15.45 Favored 'Trans proline' 1 C--N 1.437 5.198 0 C-N-CA 124.753 3.635 . . . . 0.0 116.62 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -69.13 -37.75 78.46 Favored 'General case' 0 N--CA 1.525 3.307 0 C-N-CA 124.547 1.139 . . . . 0.0 113.265 -177.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.43 ' H ' ' HG ' ' A' ' 141' ' ' LEU . 0.1 OUTLIER -78.23 -29.2 48.12 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 126.526 1.931 . . . . 0.0 110.01 -179.56 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.73 -36.91 76.26 Favored 'General case' 0 C--N 1.378 1.813 0 C-N-CA 126.683 1.993 . . . . 0.0 110.135 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.73 -33.69 71.1 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 124.253 1.021 . . . . 0.0 110.73 173.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -71.69 -42.51 67.34 Favored 'General case' 0 N--CA 1.511 2.602 0 C-N-CA 125.185 1.394 . . . . 0.0 114.181 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.3 mt -67.22 -42.99 88.58 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.193 0 C-N-CA 125.322 1.449 . . . . 0.0 109.136 177.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.7 m -62.87 -41.87 99.54 Favored 'General case' 0 CA--C 1.588 2.442 0 C-N-CA 126.025 1.73 . . . . 0.0 111.586 177.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.15 96.51 Favored 'General case' 0 N--CA 1.514 2.747 0 C-N-CA 124.526 1.13 . . . . 0.0 112.496 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.09 -28.26 62.19 Favored 'General case' 0 C--N 1.381 1.949 0 C-N-CA 125.062 1.345 . . . . 0.0 111.834 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -36.56 84.42 Favored 'General case' 0 C--N 1.392 2.442 0 C-N-CA 126.346 1.858 . . . . 0.0 112.238 177.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -75.14 -35.19 61.68 Favored 'General case' 0 C--N 1.388 2.262 0 C-N-CA 125.321 1.448 . . . . 0.0 110.104 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -70.2 -35.76 74.15 Favored 'General case' 0 C--N 1.387 2.215 0 C-N-CA 125.12 1.368 . . . . 0.0 112.834 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -37.9 89.18 Favored 'General case' 0 C--N 1.379 1.885 0 C-N-CA 124.626 1.17 . . . . 0.0 110.271 174.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.1 p -77.11 -37.92 53.23 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 123.818 0.699 . . . . 0.0 112.416 176.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -69.95 -36.2 75.09 Favored 'General case' 0 N--CA 1.514 2.737 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 178.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 83.0 m -71.09 -39.42 72.14 Favored 'General case' 0 C--N 1.382 1.998 0 C-N-CA 123.756 0.822 . . . . 0.0 111.037 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -59.71 -38.83 82.72 Favored 'General case' 0 C--N 1.392 2.438 0 C-N-CA 125.624 1.57 . . . . 0.0 112.938 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.2 m -69.32 -42.72 75.01 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 125.264 1.426 . . . . 0.0 111.192 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.16 -38.75 86.0 Favored 'General case' 0 C--N 1.381 1.947 0 C-N-CA 126.179 1.792 . . . . 0.0 113.016 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 29.7 mt -69.52 -40.93 80.27 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.065 0 C-N-CA 126.16 1.784 . . . . 0.0 110.601 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.22 95.97 Favored 'General case' 0 C--N 1.39 2.357 0 C-N-CA 124.559 1.144 . . . . 0.0 113.671 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.56 -39.58 80.98 Favored 'General case' 0 N--CA 1.512 2.665 0 C-N-CA 124.954 1.302 . . . . 0.0 112.944 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.8 p -71.45 -32.39 68.26 Favored 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 124.526 1.13 . . . . 0.0 112.696 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -71.57 -35.08 70.46 Favored 'General case' 0 C--N 1.381 1.936 0 C-N-CA 124.838 1.255 . . . . 0.0 112.425 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.13 -37.86 81.55 Favored 'General case' 0 N--CA 1.51 2.55 0 C-N-CA 124.932 1.293 . . . . 0.0 113.257 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.522 ' O ' HG13 ' A' ' 169' ' ' ILE . . . -69.61 -36.06 75.85 Favored 'General case' 0 C--N 1.375 1.677 0 C-N-CA 124.198 0.999 . . . . 0.0 110.279 177.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 3.6 mt -71.53 -28.74 64.09 Favored 'General case' 0 C--N 1.394 2.506 0 C-N-CA 125.512 1.525 . . . . 0.0 112.197 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -70.43 -30.46 67.32 Favored 'General case' 0 C--N 1.38 1.909 0 C-N-CA 125.547 1.539 . . . . 0.0 112.519 176.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -21.13 25.63 Favored 'General case' 0 C--N 1.385 2.112 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -177.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 165' ' ' ALA . 0.3 OUTLIER -111.06 17.82 7.49 Favored 'Isoleucine or valine' 0 C--N 1.38 1.894 0 CA-C-O 121.368 0.604 . . . . 0.0 109.47 -176.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 61.7 m -54.03 -41.01 67.56 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-N 113.285 -1.779 . . . . 0.0 108.264 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 . . . . . 0 N--CA 1.496 1.87 0 CA-C-N 113.541 -1.663 . . . . 0.0 111.439 177.798 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.134 0.493 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -115.51 128.25 55.86 Favored 'General case' 0 N--CA 1.499 2.0 0 C-N-CA 124.14 0.976 . . . . 0.0 111.156 179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.06 119.14 31.12 Favored Pre-proline 0 CA--C 1.574 1.866 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.146 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -62.08 119.2 6.2 Favored 'Trans proline' 1 C--N 1.432 4.952 0 C-N-CA 123.431 2.754 . . . . 0.0 114.932 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mt -99.66 -47.51 5.06 Favored 'General case' 0 N--CA 1.502 2.14 0 C-N-CA 123.5 0.72 . . . . 0.0 111.873 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.25 -36.45 54.49 Favored 'General case' 0 C--N 1.376 1.745 0 C-N-CA 125.083 1.353 . . . . 0.0 112.687 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.79 -33.29 72.17 Favored 'General case' 0 C--N 1.38 1.913 0 O-C-N 124.317 1.01 . . . . 0.0 110.467 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -68.01 -36.21 79.59 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 124.638 1.211 . . . . 0.0 111.387 177.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.3 m -71.59 -40.99 69.52 Favored 'General case' 0 C--N 1.381 1.94 0 C-N-CA 123.97 0.908 . . . . 0.0 110.871 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mt -58.58 -44.29 89.75 Favored 'General case' 0 C--N 1.389 2.311 0 O-C-N 124.311 1.007 . . . . 0.0 112.395 173.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -65.38 -39.92 92.87 Favored 'General case' 0 C--N 1.399 2.744 0 C-N-CA 125.223 1.409 . . . . 0.0 114.67 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.4 m -69.68 -36.22 75.8 Favored 'General case' 0 C--N 1.379 1.863 0 CA-C-O 117.861 -1.066 . . . . 0.0 109.989 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -62.6 -29.97 71.0 Favored 'General case' 0 N--CA 1.506 2.363 0 C-N-CA 124.121 0.968 . . . . 0.0 111.857 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -74.77 -45.79 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.558 0 C-N-CA 125.165 1.386 . . . . 0.0 110.379 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.29 -27.0 64.06 Favored 'General case' 0 N--CA 1.503 2.208 0 C-N-CA 123.711 0.804 . . . . 0.0 111.249 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.33 -38.04 88.92 Favored 'General case' 0 N--CA 1.507 2.389 0 C-N-CA 125.378 1.471 . . . . 0.0 109.52 171.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' HB3' HD12 ' A' ' 21' ' ' ILE . 46.3 mt -73.87 -30.02 62.42 Favored 'General case' 0 C--N 1.379 1.848 0 C-N-CA 125.052 1.341 . . . . 0.0 110.974 175.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -60.47 -39.52 87.88 Favored 'General case' 0 N--CA 1.536 3.831 0 C-N-CA 126.339 1.856 . . . . 0.0 113.414 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.6 p -78.78 -31.77 46.22 Favored 'General case' 0 C--O 1.247 0.935 0 O-C-N 124.847 1.342 . . . . 0.0 113.112 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -83.2 -24.06 32.58 Favored 'General case' 0 CA--C 1.581 2.159 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 17' ' ' LEU . 70.2 mt -110.77 19.27 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.619 0 C-N-CA 128.388 2.675 . . . . 0.0 109.161 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.01 -81.14 0.29 Allowed Glycine 0 N--CA 1.491 2.318 0 CA-C-O 116.558 -2.246 . . . . 0.0 112.53 -177.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -65.66 -2.0 5.72 Favored 'Trans proline' 1 C--N 1.426 4.633 0 CA-C-N 122.586 3.193 . . . . 0.0 116.131 177.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mp -90.68 -6.28 54.7 Favored 'General case' 0 N--CA 1.502 2.133 0 C-N-CA 126.002 1.721 . . . . 0.0 112.988 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.57 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -66.07 -41.24 90.99 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 126.373 1.869 . . . . 0.0 115.742 177.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -97.55 -37.84 9.8 Favored 'General case' 0 C--N 1.385 2.135 0 C-N-CA 124.036 0.934 . . . . 0.0 110.973 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -104.72 136.31 44.48 Favored 'General case' 0 N--CA 1.502 2.17 0 C-N-CA 125.894 1.678 . . . . 0.0 112.755 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -94.13 117.2 29.76 Favored 'General case' 0 N--CA 1.503 2.193 0 CA-C-O 121.687 0.756 . . . . 0.0 112.723 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -128.6 162.14 27.99 Favored 'General case' 0 N--CA 1.503 2.199 0 C-N-CA 125.452 1.501 . . . . 0.0 110.735 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -73.17 91.07 1.62 Allowed 'General case' 0 CA--C 1.588 2.423 0 C-N-CA 124.701 1.2 . . . . 0.0 113.53 -178.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.52 117.4 42.78 Favored Pre-proline 0 C--N 1.379 1.873 0 CA-C-O 118.829 -0.605 . . . . 0.0 110.863 176.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -62.2 -26.04 77.38 Favored 'Trans proline' 1 C--N 1.431 4.917 0 C-N-CA 123.867 3.045 . . . . 0.0 115.92 178.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -108.38 25.88 11.13 Favored 'General case' 0 CA--C 1.583 2.238 0 C-N-CA 124.48 1.112 . . . . 0.0 112.79 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.55 106.32 3.42 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 123.403 0.681 . . . . 0.0 109.336 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.35 94.22 4.01 Favored 'General case' 0 C--N 1.373 1.6 0 CA-C-O 121.811 0.815 . . . . 0.0 110.158 178.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -83.28 -2.77 56.45 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-N 113.922 -1.49 . . . . 0.0 114.373 -178.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -79.89 -18.23 51.18 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 123.731 0.812 . . . . 0.0 112.356 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -84.78 -3.92 58.83 Favored 'General case' 0 C--N 1.388 2.248 0 C-N-CA 123.998 0.919 . . . . 0.0 112.992 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.16 158.7 27.41 Favored 'General case' 0 C--N 1.377 1.782 0 C-N-CA 124.455 1.102 . . . . 0.0 111.521 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.87 108.94 14.53 Favored 'General case' 0 C--N 1.383 2.031 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.6 t -155.91 165.03 37.71 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 113.051 -1.886 . . . . 0.0 108.795 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -109.64 -27.9 9.13 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.738 0.815 . . . . 0.0 112.071 -178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.74 75.98 0.58 Allowed Glycine 0 C--N 1.377 2.815 0 N-CA-C 106.865 -2.494 . . . . 0.0 106.865 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.83 -62.64 1.17 Allowed 'General case' 0 C--N 1.379 1.876 0 O-C-N 124.502 0.766 . . . . 0.0 111.506 -171.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 176.94 178.68 0.24 Allowed 'General case' 0 C--N 1.41 3.219 0 O-C-N 126.002 2.064 . . . . 0.0 112.954 -173.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.57 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 1.3 mt -67.98 -23.48 65.03 Favored 'General case' 0 N--CA 1.529 3.508 0 C-N-CA 125.5 1.52 . . . . 0.0 108.265 169.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.35 -36.25 88.27 Favored Glycine 0 C--N 1.381 3.031 0 C-N-CA 125.427 1.489 . . . . 0.0 113.887 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.99 -21.38 43.7 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 117.107 0.454 . . . . 0.0 111.574 178.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -81.14 -32.86 33.53 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.3 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -77.52 -36.37 52.52 Favored 'General case' 0 C--N 1.372 1.566 0 C-N-CA 124.938 1.295 . . . . 0.0 112.469 176.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.99 -37.63 75.79 Favored 'General case' 0 N--CA 1.49 1.573 0 C-N-CA 124.956 1.302 . . . . 0.0 112.003 178.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.61 -29.97 56.74 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 123.692 0.797 . . . . 0.0 111.039 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.57 -39.59 67.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 124.893 1.371 . . . . 0.0 111.851 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.6 -36.35 76.12 Favored 'General case' 0 N--CA 1.505 2.319 0 C-N-CA 124.769 1.228 . . . . 0.0 111.414 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -72.61 -25.52 61.34 Favored 'General case' 0 C--N 1.385 2.129 0 C-N-CA 126.593 1.957 . . . . 0.0 112.354 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.7 m -78.78 -30.01 45.34 Favored 'General case' 0 C--N 1.386 2.167 0 C-N-CA 123.598 0.759 . . . . 0.0 109.441 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.7 tp -70.84 -41.86 70.92 Favored 'General case' 0 C--N 1.388 2.255 0 C-N-CA 125.835 1.654 . . . . 0.0 110.252 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.4 p -71.73 -30.48 65.67 Favored 'General case' 0 N--CA 1.509 2.481 0 C-N-CA 125.166 1.386 . . . . 0.0 112.9 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -78.22 -39.72 39.59 Favored 'General case' 0 N--CA 1.518 2.927 0 C-N-CA 124.18 0.992 . . . . 0.0 113.524 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -66.49 -33.12 74.98 Favored 'General case' 0 C--N 1.39 2.349 0 C-N-CA 124.356 1.062 . . . . 0.0 110.208 176.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.435 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 8.7 mt-10 -63.62 -33.62 76.03 Favored 'General case' 0 C--N 1.387 2.237 0 C-N-CA 126.555 1.942 . . . . 0.0 112.145 175.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.69 95.0 Favored 'General case' 0 C--N 1.394 2.524 0 C-N-CA 124.146 0.979 . . . . 0.0 112.86 178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.45 -29.94 67.74 Favored 'General case' 0 N--CA 1.51 2.541 0 C-N-CA 123.542 0.737 . . . . 0.0 112.234 173.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.435 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 55.4 t -62.82 -37.8 80.1 Favored 'Isoleucine or valine' 0 C--N 1.381 1.959 0 C-N-CA 126.499 1.92 . . . . 0.0 109.775 175.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -55.02 -33.12 62.37 Favored 'General case' 0 C--N 1.396 2.607 0 C-N-CA 125.083 1.353 . . . . 0.0 112.312 177.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -69.68 -38.27 76.97 Favored 'General case' 0 C--N 1.402 2.876 0 C-N-CA 125.477 1.511 . . . . 0.0 112.076 176.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.89 33.44 2.4 Favored Glycine 0 C--N 1.376 2.759 0 N-CA-C 116.562 1.385 . . . . 0.0 116.562 174.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.68 113.0 24.42 Favored 'General case' 0 C--N 1.38 1.895 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.72 -27.73 64.2 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 113.137 -1.847 . . . . 0.0 113.043 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.5 m -72.17 -38.05 69.2 Favored 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 124.731 1.212 . . . . 0.0 110.85 176.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.5 -23.44 56.75 Favored 'General case' 0 C--N 1.389 2.323 0 C-N-CA 124.168 0.987 . . . . 0.0 112.342 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.9 t -76.29 -47.06 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 125.956 1.702 . . . . 0.0 109.884 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.53 -37.75 85.67 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 127.239 2.216 . . . . 0.0 112.767 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.87 -48.91 74.8 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 126.414 1.886 . . . . 0.0 109.047 173.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.05 -43.66 98.56 Favored 'General case' 0 N--CA 1.511 2.576 0 O-C-N 125.036 1.46 . . . . 0.0 112.019 174.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.63 -42.08 91.93 Favored 'General case' 0 N--CA 1.511 2.609 0 C-N-CA 124.884 1.274 . . . . 0.0 113.775 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.6 -39.12 73.98 Favored 'General case' 0 N--CA 1.514 2.734 0 C-N-CA 125.266 1.427 . . . . 0.0 111.967 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.03 -33.8 68.3 Favored 'General case' 0 N--CA 1.498 1.966 0 C-N-CA 124.706 1.203 . . . . 0.0 110.698 174.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.472 ' O ' HG23 ' A' ' 83' ' ' ILE . 0.5 OUTLIER -66.11 -46.36 77.89 Favored 'General case' 0 C--N 1.38 1.926 0 CA-C-O 117.713 -1.137 . . . . 0.0 111.855 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.46 -36.49 76.63 Favored 'General case' 0 C--N 1.388 2.272 0 C-N-CA 124.503 1.121 . . . . 0.0 112.757 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.96 -35.66 81.2 Favored 'General case' 0 C--N 1.385 2.138 0 C-N-CA 125.678 1.591 . . . . 0.0 110.638 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -73.97 -27.77 61.15 Favored 'General case' 0 C--N 1.376 1.748 0 C-N-CA 123.931 0.893 . . . . 0.0 112.594 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.565 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 0.7 OUTLIER -64.66 -43.59 96.64 Favored 'Isoleucine or valine' 0 C--N 1.389 2.287 0 CA-C-N 118.334 0.516 . . . . 0.0 110.649 177.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.84 -44.78 76.38 Favored 'General case' 0 N--CA 1.503 2.202 0 C-N-CA 125.532 1.533 . . . . 0.0 112.101 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.79 -44.73 55.08 Favored 'General case' 0 C--N 1.379 1.852 0 N-CA-C 114.576 1.324 . . . . 0.0 114.576 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.3 mp -86.79 -42.61 13.16 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.565 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -68.27 -38.47 81.76 Favored 'General case' 0 N--CA 1.5 2.051 0 CA-C-O 118.781 -0.628 . . . . 0.0 112.006 178.736 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -78.76 -40.25 33.8 Favored 'General case' 0 C--N 1.386 2.154 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -72.48 -33.04 66.71 Favored 'General case' 0 N--CA 1.515 2.822 0 CA-C-N 119.4 1.0 . . . . 0.0 110.319 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.59 -31.16 63.43 Favored 'General case' 0 C--N 1.385 2.144 0 C-N-CA 124.054 0.941 . . . . 0.0 109.973 175.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.05 -34.75 77.05 Favored 'General case' 0 C--N 1.411 3.274 0 C-N-CA 124.735 1.214 . . . . 0.0 114.112 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.6 p -84.15 -21.28 31.41 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 119.071 0.851 . . . . 0.0 110.287 176.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.17 -28.81 60.22 Favored 'General case' 0 C--N 1.39 2.363 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.989 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.07 -8.64 58.49 Favored 'General case' 0 C--N 1.398 2.689 0 C-N-CA 125.575 1.55 . . . . 0.0 112.012 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.3 mt -90.01 -9.0 50.25 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 115.953 1.834 . . . . 0.0 115.953 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -97.89 -15.31 20.24 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 172.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -116.63 41.99 2.55 Favored 'General case' 0 C--N 1.39 2.348 0 C-N-CA 127.883 2.473 . . . . 0.0 112.694 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.74 13.39 10.76 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 104.517 -2.401 . . . . 0.0 104.517 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.418 ' HB3' ' H ' ' A' ' 100' ' ' ASN . 4.5 mt-10 -108.96 -145.19 0.39 Allowed 'General case' 0 CA--C 1.574 1.893 0 CA-C-N 110.361 -3.108 . . . . 0.0 112.083 178.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.418 ' H ' ' HB3' ' A' ' 99' ' ' GLU . 45.1 m-80 -96.41 7.2 47.08 Favored 'General case' 0 N--CA 1.51 2.573 0 CA-C-O 122.849 1.309 . . . . 0.0 109.989 178.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.17 -15.28 58.98 Favored 'General case' 0 CA--C 1.575 1.935 0 C-N-CA 128.604 2.762 . . . . 0.0 110.331 173.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -63.49 -31.09 72.14 Favored 'General case' 0 CA--C 1.592 2.573 0 C-N-CA 127.484 2.314 . . . . 0.0 114.955 -173.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.86 -52.22 42.93 Favored Pre-proline 0 N--CA 1.514 2.739 0 CA-C-O 116.416 -1.754 . . . . 0.0 112.947 178.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -83.33 3.93 7.41 Favored 'Trans proline' 1 C--N 1.45 5.919 0 CA-C-N 123.705 2.359 . . . . 0.0 115.284 173.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -156.64 92.79 0.13 Allowed Glycine 0 C--N 1.357 1.74 0 N-CA-C 108.889 -1.685 . . . . 0.0 108.889 174.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -171.22 -41.28 0.03 OUTLIER Glycine 0 N--CA 1.473 1.147 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -175.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.58 -29.35 62.35 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 124.892 1.277 . . . . 0.0 110.188 175.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 81.6 mt -70.88 -36.01 72.58 Favored 'General case' 0 C--N 1.384 2.078 0 C-N-CA 125.657 1.583 . . . . 0.0 111.806 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -70.15 -33.25 71.55 Favored 'General case' 0 C--N 1.387 2.212 0 C-N-CA 124.605 1.162 . . . . 0.0 111.231 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -66.64 -36.91 83.69 Favored 'General case' 0 C--N 1.386 2.163 0 C-N-CA 125.862 1.665 . . . . 0.0 110.66 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.593 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 1.1 mpt_? -74.58 -50.22 18.78 Favored 'General case' 0 C--N 1.375 1.698 0 C-N-CA 123.929 0.892 . . . . 0.0 111.013 175.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.15 -60.22 3.92 Favored 'General case' 0 CA--C 1.601 2.908 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -83.52 -44.19 14.94 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 116.784 2.142 . . . . 0.0 116.784 -175.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 40.5 mt-10 -71.91 -33.84 68.63 Favored 'General case' 0 N--CA 1.508 2.468 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 -178.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.593 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 5.6 m-85 -68.8 -38.85 80.22 Favored 'General case' 0 C--N 1.392 2.441 0 CA-C-O 118.714 -0.66 . . . . 0.0 111.717 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -65.71 -38.97 90.68 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.87 -42.73 85.11 Favored 'General case' 0 N--CA 1.52 3.069 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -69.23 -37.32 77.95 Favored 'General case' 0 N--CA 1.508 2.441 0 C-N-CA 124.294 1.038 . . . . 0.0 112.649 178.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -71.33 -28.44 64.09 Favored 'General case' 0 C--N 1.379 1.861 0 C-N-CA 124.824 1.25 . . . . 0.0 112.206 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -65.47 -47.75 75.02 Favored 'General case' 0 N--CA 1.504 2.253 0 C-N-CA 125.777 1.631 . . . . 0.0 114.285 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.72 -39.23 67.09 Favored 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.42 -33.06 73.07 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 123.556 0.535 . . . . 0.0 110.404 174.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -34.11 73.18 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 125.016 1.326 . . . . 0.0 112.341 175.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.95 86.1 Favored 'General case' 0 C--N 1.404 2.975 0 C-N-CA 125.473 1.509 . . . . 0.0 112.816 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.6 mtt -64.65 -40.21 95.03 Favored 'General case' 0 C--N 1.391 2.377 0 O-C-N 124.685 1.24 . . . . 0.0 110.642 177.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.506 ' O ' ' HG3' ' A' ' 130' ' ' GLU . 94.8 mttt -67.26 -40.68 86.23 Favored 'General case' 0 C--N 1.384 2.103 0 C-N-CA 124.814 1.245 . . . . 0.0 110.797 176.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.23 -44.09 92.94 Favored 'General case' 0 N--CA 1.517 2.905 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 -176.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -70.82 -41.09 72.0 Favored 'General case' 0 N--CA 1.51 2.537 0 C-N-CA 123.887 0.875 . . . . 0.0 113.072 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.62 -34.4 74.02 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 124.46 1.104 . . . . 0.0 112.979 178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 126' ' ' LYS . 47.3 mt-10 -70.27 -39.6 74.83 Favored 'General case' 0 N--CA 1.502 2.132 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -71.18 -40.69 71.07 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-N 119.124 0.875 . . . . 0.0 112.758 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -73.25 -41.7 63.39 Favored 'General case' 0 C--N 1.391 2.39 0 CA-C-N 113.465 -1.698 . . . . 0.0 114.932 -173.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -90.54 -8.21 50.88 Favored 'General case' 0 CA--C 1.578 2.033 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.437 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -65.35 -38.84 91.29 Favored 'General case' 0 N--CA 1.516 2.862 0 C-N-CA 125.588 1.555 . . . . 0.0 111.944 174.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -81.83 -13.18 58.0 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 125.44 1.496 . . . . 0.0 112.678 178.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -94.97 -24.88 16.75 Favored 'General case' 0 C--N 1.383 2.064 0 C-N-CA 125.152 1.381 . . . . 0.0 109.328 178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 65.13 30.93 11.29 Favored 'General case' 0 N--CA 1.521 3.125 0 C-N-CA 127.565 2.346 . . . . 0.0 112.317 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.79 125.78 83.56 Favored Pre-proline 0 CA--C 1.571 1.753 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -177.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -58.27 -9.71 7.08 Favored 'Trans proline' 1 C--N 1.429 4.792 0 C-N-CA 124.686 3.591 . . . . 0.0 114.228 173.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -61.51 -27.69 68.78 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 123.68 0.792 . . . . 0.0 110.959 175.51 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 21.6 mt -56.33 -44.56 80.12 Favored 'General case' 0 N--CA 1.516 2.856 0 C-N-CA 126.438 1.895 . . . . 0.0 113.104 174.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.05 72.3 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 125.671 1.588 . . . . 0.0 110.808 -174.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -72.03 -37.54 69.71 Favored 'General case' 0 CA--C 1.583 2.24 0 O-C-N 124.161 0.913 . . . . 0.0 111.864 174.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 39.7 mt-10 -77.36 -51.15 11.31 Favored 'General case' 0 N--CA 1.512 2.663 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 -177.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -38.16 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.795 0 CA-C-N 119.561 1.073 . . . . 0.0 111.288 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 97.1 m -63.08 -40.46 97.74 Favored 'General case' 0 CA--C 1.584 2.283 0 CA-C-N 118.516 0.598 . . . . 0.0 110.598 177.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.81 85.58 Favored 'General case' 0 N--CA 1.509 2.475 0 C-N-CA 124.266 1.026 . . . . 0.0 112.856 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 13.1 mt -73.46 -31.32 63.72 Favored 'General case' 0 C--N 1.38 1.921 0 C-N-CA 124.708 1.203 . . . . 0.0 111.934 177.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -29.85 68.13 Favored 'General case' 0 C--N 1.392 2.428 0 C-N-CA 125.594 1.558 . . . . 0.0 112.232 178.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -75.47 -35.48 60.86 Favored 'General case' 0 C--N 1.387 2.225 0 C-N-CA 124.975 1.31 . . . . 0.0 109.16 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -71.37 -35.58 71.14 Favored 'General case' 0 C--N 1.387 2.199 0 C-N-CA 125.676 1.59 . . . . 0.0 112.465 178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.45 -38.91 92.66 Favored 'General case' 0 C--N 1.381 1.937 0 C-N-CA 124.476 1.111 . . . . 0.0 110.106 174.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.7 p -77.01 -38.7 52.47 Favored 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 123.662 0.785 . . . . 0.0 112.845 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -72.66 -33.36 66.52 Favored 'General case' 0 N--CA 1.517 2.898 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 76.2 m -71.65 -39.1 70.57 Favored 'General case' 0 C--N 1.385 2.142 0 C-N-CA 123.503 0.721 . . . . 0.0 110.502 177.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -59.17 -39.39 82.37 Favored 'General case' 0 C--N 1.394 2.528 0 C-N-CA 125.618 1.567 . . . . 0.0 113.268 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 6.8 m -70.36 -40.85 73.78 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 124.96 1.304 . . . . 0.0 111.52 178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.67 -37.64 76.74 Favored 'General case' 0 C--N 1.378 1.819 0 C-N-CA 125.778 1.631 . . . . 0.0 112.805 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 16.2 mt -70.04 -39.95 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.839 0 C-N-CA 126.094 1.758 . . . . 0.0 110.971 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.95 97.75 Favored 'General case' 0 C--N 1.391 2.394 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 178.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.09 -41.65 67.07 Favored 'General case' 0 N--CA 1.51 2.541 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 19.8 p -71.66 -39.48 70.3 Favored 'General case' 0 N--CA 1.511 2.612 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.03 -35.39 69.37 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.989 0.915 . . . . 0.0 113.195 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -70.05 -35.41 74.25 Favored 'General case' 0 N--CA 1.507 2.396 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -71.26 -36.02 71.61 Favored 'General case' 0 C--N 1.375 1.695 0 O-C-N 124.289 0.993 . . . . 0.0 110.891 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.76 -35.41 67.45 Favored 'General case' 0 C--N 1.39 2.36 0 C-N-CA 125.816 1.646 . . . . 0.0 112.229 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.31 -19.13 60.58 Favored 'General case' 0 C--N 1.379 1.878 0 C-N-CA 124.88 1.272 . . . . 0.0 113.424 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.81 -13.22 51.76 Favored 'General case' 0 C--N 1.379 1.873 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.86 16.8 7.7 Favored 'Isoleucine or valine' 0 C--N 1.368 1.403 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 1.3 t -50.52 -31.53 15.78 Favored 'General case' 0 C--N 1.389 2.295 0 C-N-CA 127.075 2.15 . . . . 0.0 112.682 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 . . . . . 0 N--CA 1.498 1.951 0 CA-C-N 113.188 -1.824 . . . . 0.0 111.795 179.202 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mtt . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 121.015 0.436 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -115.4 -54.24 2.55 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.475 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.84 127.69 17.43 Favored Pre-proline 0 C--N 1.378 1.839 0 C-N-CA 123.326 0.651 . . . . 0.0 111.751 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -70.92 -15.97 32.69 Favored 'Trans proline' 1 C--N 1.424 4.536 0 C-N-CA 123.214 2.609 . . . . 0.0 117.443 178.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mt -86.64 -35.33 19.43 Favored 'General case' 0 N--CA 1.506 2.326 0 C-N-CA 123.408 0.683 . . . . 0.0 111.868 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -36.14 51.95 Favored 'General case' 0 C--N 1.373 1.592 0 C-N-CA 125.147 1.379 . . . . 0.0 112.729 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.35 -31.35 67.25 Favored 'General case' 0 C--N 1.38 1.914 0 C-N-CA 123.923 0.889 . . . . 0.0 109.966 178.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -66.22 -37.57 85.86 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 124.434 1.084 . . . . 0.0 111.722 176.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.3 m -70.92 -41.1 71.66 Favored 'General case' 0 C--N 1.384 2.066 0 C-N-CA 124.212 1.005 . . . . 0.0 110.917 176.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 mt -57.58 -44.94 85.72 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 124.455 1.102 . . . . 0.0 112.242 173.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -65.37 -38.51 90.26 Favored 'General case' 0 C--N 1.397 2.669 0 C-N-CA 125.363 1.465 . . . . 0.0 114.667 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 m -68.74 -37.06 79.15 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.247 177.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.73 -31.72 71.91 Favored 'General case' 0 N--CA 1.504 2.257 0 C-N-CA 124.7 1.2 . . . . 0.0 111.804 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.5 t -74.43 -43.82 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.449 0 C-N-CA 125.116 1.366 . . . . 0.0 110.122 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -28.89 66.76 Favored 'General case' 0 N--CA 1.507 2.381 0 C-N-CA 124.023 0.929 . . . . 0.0 111.052 174.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.67 -39.74 88.3 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 125.478 1.511 . . . . 0.0 109.423 172.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.64 -36.86 73.64 Favored 'General case' 0 C--N 1.375 1.68 0 C-N-CA 124.802 1.241 . . . . 0.0 110.935 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -59.61 -38.17 80.55 Favored 'General case' 0 N--CA 1.528 3.437 0 C-N-CA 125.995 1.718 . . . . 0.0 112.735 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.82 -15.03 49.84 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 177.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.18 -29.69 11.97 Favored 'General case' 0 C--N 1.376 1.736 0 C-N-CA 124.116 0.966 . . . . 0.0 111.04 -176.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.99 15.53 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 C-N-CA 127.29 2.236 . . . . 0.0 112.074 179.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.54 -72.77 0.71 Allowed Glycine 0 N--CA 1.484 1.881 0 CA-C-O 116.702 -2.165 . . . . 0.0 113.166 -175.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.53 -2.38 7.27 Favored 'Trans proline' 1 C--N 1.423 4.456 0 CA-C-N 122.068 2.934 . . . . 0.0 116.136 177.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mt -89.31 -13.82 37.11 Favored 'General case' 0 C--N 1.385 2.124 0 C-N-CA 125.243 1.417 . . . . 0.0 112.728 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.567 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -62.66 -40.81 98.22 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 126.522 1.929 . . . . 0.0 115.881 178.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 t -94.63 -31.12 13.99 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 124.213 1.005 . . . . 0.0 110.743 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -118.36 105.28 11.56 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 125.358 1.463 . . . . 0.0 111.306 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -92.43 117.07 29.55 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 123.17 0.588 . . . . 0.0 112.388 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -125.04 -82.99 0.64 Allowed 'General case' 0 C--N 1.371 1.515 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.055 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -144.84 110.12 5.2 Favored 'General case' 0 C--N 1.381 1.962 0 C-N-CA 123.861 0.865 . . . . 0.0 110.573 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.9 m -115.03 107.52 49.86 Favored Pre-proline 0 C--N 1.388 2.246 0 CA-C-O 118.802 -0.618 . . . . 0.0 110.145 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -63.6 -35.8 56.9 Favored 'Trans proline' 1 C--N 1.43 4.864 0 C-N-CA 124.067 3.178 . . . . 0.0 117.451 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -107.84 27.8 8.85 Favored 'General case' 0 CA--C 1.579 2.07 0 C-N-CA 125.712 1.605 . . . . 0.0 114.054 -175.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -50.61 111.32 0.52 Allowed 'General case' 0 N--CA 1.506 2.336 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -177.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.58 57.92 0.61 Allowed 'General case' 0 C--N 1.364 1.236 0 CA-C-N 112.361 -2.2 . . . . 0.0 111.835 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -84.28 -12.68 54.25 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 112.665 -2.062 . . . . 0.0 112.557 177.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -79.99 -24.02 41.16 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 124.43 1.092 . . . . 0.0 111.385 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.81 -5.78 30.49 Favored 'General case' 0 C--N 1.386 2.191 0 O-C-N 123.557 0.536 . . . . 0.0 112.059 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.51 154.46 32.5 Favored 'General case' 0 C--N 1.382 2.018 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.85 110.46 15.47 Favored 'General case' 0 C--N 1.378 1.846 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.1 t -159.91 145.25 15.32 Favored 'General case' 0 C--O 1.25 1.106 0 CA-C-N 113.407 -1.724 . . . . 0.0 107.697 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -94.66 -21.6 18.69 Favored 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.769 -1.105 . . . . 0.0 113.759 -177.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.72 78.52 1.19 Allowed Glycine 0 N--CA 1.501 2.999 0 N-CA-C 108.025 -2.03 . . . . 0.0 108.025 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -127.67 -54.27 1.33 Allowed 'General case' 0 C--N 1.378 1.807 0 O-C-N 123.845 0.379 . . . . 0.0 110.609 -173.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -179.11 175.47 0.96 Allowed 'General case' 0 C--N 1.409 3.162 0 O-C-N 126.145 2.153 . . . . 0.0 112.492 -173.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.567 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -68.13 -22.53 64.87 Favored 'General case' 0 N--CA 1.529 3.479 0 C-N-CA 125.338 1.455 . . . . 0.0 108.248 169.311 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.66 -35.35 85.72 Favored Glycine 0 C--N 1.378 2.898 0 C-N-CA 126.344 1.926 . . . . 0.0 114.14 177.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.63 -22.03 44.13 Favored 'General case' 0 C--N 1.391 2.403 0 CA-C-N 117.409 0.604 . . . . 0.0 111.557 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -81.59 -32.44 32.09 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 114.634 -1.166 . . . . 0.0 109.642 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.54 -36.48 52.26 Favored 'General case' 0 C--N 1.374 1.633 0 C-N-CA 124.905 1.282 . . . . 0.0 112.38 177.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.12 -35.92 71.94 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 125.096 1.358 . . . . 0.0 112.45 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -79.58 -28.6 41.12 Favored 'General case' 0 C--N 1.378 1.818 0 C-N-CA 123.517 0.727 . . . . 0.0 110.61 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.55 -39.54 67.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 125.008 1.442 . . . . 0.0 111.049 176.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -68.83 -37.34 79.11 Favored 'General case' 0 C--N 1.38 1.933 0 C-N-CA 124.785 1.234 . . . . 0.0 110.244 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -72.13 -25.71 61.83 Favored 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 125.895 1.678 . . . . 0.0 112.348 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.4 m -78.66 -30.09 46.07 Favored 'General case' 0 C--N 1.385 2.146 0 C-N-CA 123.894 0.878 . . . . 0.0 109.882 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.73 -42.17 64.4 Favored 'General case' 0 C--N 1.386 2.181 0 C-N-CA 124.439 1.096 . . . . 0.0 110.685 176.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.8 p -70.33 -29.15 65.79 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 126.038 1.735 . . . . 0.0 113.431 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -76.98 -39.9 48.77 Favored 'General case' 0 N--CA 1.512 2.639 0 C-N-CA 123.596 0.758 . . . . 0.0 112.333 178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.24 -33.91 76.34 Favored 'General case' 0 C--N 1.392 2.42 0 C-N-CA 124.798 1.239 . . . . 0.0 111.078 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.484 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 29.8 mt-10 -63.82 -35.12 79.58 Favored 'General case' 0 C--N 1.388 2.278 0 C-N-CA 126.128 1.771 . . . . 0.0 112.12 175.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.98 89.37 Favored 'General case' 0 C--N 1.39 2.358 0 C-N-CA 123.699 0.8 . . . . 0.0 112.73 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.64 -30.26 67.92 Favored 'General case' 0 C--N 1.392 2.451 0 C-N-CA 123.507 0.723 . . . . 0.0 112.129 173.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.484 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 64.8 t -61.79 -38.81 81.37 Favored 'Isoleucine or valine' 0 C--N 1.387 2.221 0 C-N-CA 126.393 1.877 . . . . 0.0 109.786 175.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -53.69 -34.89 60.25 Favored 'General case' 0 C--N 1.395 2.564 0 C-N-CA 124.856 1.262 . . . . 0.0 112.205 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -70.58 -38.87 74.12 Favored 'General case' 0 C--N 1.404 2.958 0 C-N-CA 125.465 1.506 . . . . 0.0 112.739 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.48 33.95 2.58 Favored Glycine 0 C--N 1.378 2.866 0 N-CA-C 116.202 1.241 . . . . 0.0 116.202 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.89 114.72 23.76 Favored 'General case' 0 C--N 1.382 2.013 0 CA-C-O 122.023 0.916 . . . . 0.0 109.35 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.22 -34.13 74.37 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 112.751 -2.022 . . . . 0.0 113.231 -177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.1 m -71.15 -37.54 72.24 Favored 'General case' 0 CA--C 1.574 1.87 0 C-N-CA 124.765 1.226 . . . . 0.0 111.482 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.52 -21.85 57.62 Favored 'General case' 0 N--CA 1.507 2.376 0 C-N-CA 123.839 0.856 . . . . 0.0 112.075 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.4 HG13 HD22 ' A' ' 127' ' ' ASN . 3.8 t -78.32 -47.81 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 C-N-CA 125.809 1.644 . . . . 0.0 110.003 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.13 -37.76 84.39 Favored 'General case' 0 C--N 1.389 2.32 0 C-N-CA 127.544 2.338 . . . . 0.0 112.518 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.19 -46.05 90.65 Favored 'General case' 0 N--CA 1.493 1.719 0 C-N-CA 125.506 1.523 . . . . 0.0 108.931 172.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.78 -38.83 90.09 Favored 'General case' 0 N--CA 1.504 2.252 0 C-N-CA 124.973 1.309 . . . . 0.0 111.517 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.19 96.55 Favored 'General case' 0 N--CA 1.515 2.81 0 C-N-CA 125.199 1.4 . . . . 0.0 112.697 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.75 -35.93 70.27 Favored 'General case' 0 N--CA 1.517 2.88 0 C-N-CA 126.153 1.781 . . . . 0.0 110.978 176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -69.36 -32.16 71.05 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 125.066 1.346 . . . . 0.0 109.723 172.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -44.52 72.71 Favored 'General case' 0 C--N 1.379 1.879 0 C-N-CA 124.692 1.197 . . . . 0.0 111.534 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.1 -41.14 82.26 Favored 'General case' 0 C--N 1.389 2.283 0 C-N-CA 125.153 1.381 . . . . 0.0 112.55 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.79 -36.58 80.7 Favored 'General case' 0 C--N 1.387 2.229 0 C-N-CA 126.277 1.831 . . . . 0.0 111.832 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -73.84 -27.57 61.17 Favored 'General case' 0 C--N 1.374 1.654 0 C-N-CA 123.709 0.804 . . . . 0.0 112.793 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 32.2 mt -64.08 -46.94 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.216 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 88' ' ' ARG . 1.5 mt-10 -66.23 -46.15 78.18 Favored 'General case' 0 N--CA 1.503 2.211 0 C-N-CA 124.792 1.237 . . . . 0.0 112.368 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.36 -45.72 53.36 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.7 mt -86.48 -42.68 13.37 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.023 1.86 . . . . 0.0 116.023 -175.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.574 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 32.6 mt-30 -66.65 -38.4 86.8 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 123.827 0.705 . . . . 0.0 111.941 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 5.2 ttt180 -79.42 -36.81 38.43 Favored 'General case' 0 C--N 1.391 2.373 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.97 -27.46 54.76 Favored 'General case' 0 C--N 1.389 2.317 0 CA-C-N 119.206 0.912 . . . . 0.0 110.455 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.82 -27.66 55.24 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 124.216 1.006 . . . . 0.0 108.852 173.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.21 64.52 Favored 'General case' 0 C--N 1.411 3.268 0 C-N-CA 125.179 1.392 . . . . 0.0 112.834 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 p -85.8 -22.78 27.48 Favored 'General case' 0 C--N 1.379 1.887 0 C-N-CA 125.14 1.376 . . . . 0.0 109.723 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.92 -27.81 55.04 Favored 'General case' 0 C--N 1.386 2.178 0 C-N-CA 125.482 1.513 . . . . 0.0 111.518 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.3 p -79.17 -10.58 59.86 Favored 'General case' 0 N--CA 1.514 2.753 0 C-N-CA 125.236 1.414 . . . . 0.0 111.699 178.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.3 tt -92.82 -38.01 12.0 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 126.773 2.029 . . . . 0.0 109.712 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -73.26 -6.12 43.92 Favored 'General case' 0 C--N 1.374 1.646 0 C-N-CA 124.969 1.308 . . . . 0.0 111.607 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -69.87 -9.28 54.28 Favored 'General case' 0 N--CA 1.512 2.651 0 C-N-CA 126.402 1.881 . . . . 0.0 112.743 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -59.9 -44.94 93.96 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-N 110.833 -2.894 . . . . 0.0 106.06 169.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -154.87 -28.91 0.11 Allowed 'General case' 1 N--CA 1.543 4.2 0 N-CA-C 119.771 3.249 . . . . 0.0 119.771 178.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -97.61 -36.81 10.16 Favored 'General case' 0 N--CA 1.506 2.357 0 C-N-CA 125.113 1.365 . . . . 0.0 113.217 -175.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.32 -22.14 38.72 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -78.95 -4.65 50.92 Favored 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 127.51 2.324 . . . . 0.0 113.154 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.6 mt -76.14 -57.92 1.34 Allowed Pre-proline 0 CA--C 1.596 2.718 0 CA-C-O 116.431 -1.747 . . . . 0.0 111.635 -173.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -90.08 -9.46 3.75 Favored 'Trans proline' 1 C--N 1.456 6.199 0 CA-C-N 123.47 2.275 . . . . 0.0 116.248 175.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -101.49 -137.78 9.88 Favored Glycine 0 C--N 1.362 2.011 0 N-CA-C 116.257 1.263 . . . . 0.0 116.257 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.02 -44.1 1.53 Allowed Glycine 0 CA--C 1.533 1.209 0 CA-C-N 113.146 -1.527 . . . . 0.0 109.859 -174.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.31 -14.0 8.81 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 125.681 1.593 . . . . 0.0 111.472 177.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.92 -29.0 64.93 Favored 'General case' 0 N--CA 1.513 2.708 0 C-N-CA 124.34 1.056 . . . . 0.0 112.949 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -68.9 -36.87 78.55 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 124.871 1.269 . . . . 0.0 110.755 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -67.94 -35.99 79.36 Favored 'General case' 0 C--N 1.389 2.324 0 C-N-CA 125.984 1.714 . . . . 0.0 111.629 175.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 6.8 mpt_? -72.51 -49.23 34.38 Favored 'General case' 0 C--N 1.374 1.66 0 C-N-CA 123.77 0.828 . . . . 0.0 110.931 175.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.43 -60.16 4.14 Favored 'General case' 0 CA--C 1.592 2.576 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -77.81 -44.74 26.49 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 116.909 2.188 . . . . 0.0 116.909 -175.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 43.6 mt-10 -71.98 -36.5 69.82 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -178.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 8.2 m-85 -68.83 -41.46 78.53 Favored 'General case' 0 C--N 1.388 2.257 0 C-N-CA 123.253 0.621 . . . . 0.0 112.377 179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -70.38 -38.39 74.71 Favored 'General case' 0 C--N 1.384 2.095 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.59 -43.77 72.13 Favored 'General case' 0 N--CA 1.518 2.933 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -70.29 -36.89 74.66 Favored 'General case' 0 N--CA 1.505 2.303 0 C-N-CA 124.373 1.069 . . . . 0.0 113.348 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -67.81 -37.03 81.44 Favored 'General case' 0 C--N 1.379 1.884 0 C-N-CA 124.737 1.215 . . . . 0.0 113.269 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -66.41 -41.82 88.7 Favored 'General case' 0 C--N 1.383 2.043 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -72.32 -41.46 66.52 Favored 'General case' 0 N--CA 1.51 2.553 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 178.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.0 -34.23 71.62 Favored 'General case' 0 N--CA 1.502 2.154 0 CA-C-N 118.405 0.548 . . . . 0.0 110.515 174.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -30.54 65.3 Favored 'General case' 0 C--N 1.377 1.767 0 C-N-CA 124.785 1.234 . . . . 0.0 113.533 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.55 87.94 Favored 'General case' 0 C--N 1.402 2.885 0 C-N-CA 125.089 1.356 . . . . 0.0 111.852 -178.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.53 -37.51 86.96 Favored 'General case' 0 C--N 1.395 2.58 0 O-C-N 125.086 1.491 . . . . 0.0 110.767 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -67.62 -38.14 83.49 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 125.203 1.401 . . . . 0.0 111.144 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.4 HD22 HG13 ' A' ' 72' ' ' VAL . 3.5 m120 -73.37 -44.84 57.86 Favored 'General case' 0 N--CA 1.508 2.435 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 -178.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.32 -41.39 80.89 Favored 'General case' 0 N--CA 1.515 2.817 0 C-N-CA 124.429 1.091 . . . . 0.0 113.403 -179.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.21 -37.88 86.61 Favored 'General case' 0 C--N 1.384 2.101 0 C-N-CA 124.637 1.175 . . . . 0.0 112.009 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 0.9 OUTLIER -66.73 -36.27 82.06 Favored 'General case' 0 C--N 1.39 2.364 0 CA-C-O 117.337 -1.316 . . . . 0.0 113.585 178.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -69.33 -47.32 64.78 Favored 'General case' 0 C--O 1.276 2.453 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -175.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -73.28 -39.46 65.35 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 113.297 -1.774 . . . . 0.0 113.958 -174.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.532 ' HB2' HD21 ' A' ' 141' ' ' LEU . 73.9 m-85 -89.54 -10.52 45.85 Favored 'General case' 0 CA--C 1.578 2.048 0 C-N-CA 124.049 0.94 . . . . 0.0 113.464 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -64.52 -37.1 86.39 Favored 'General case' 0 N--CA 1.521 3.077 0 C-N-CA 125.684 1.594 . . . . 0.0 111.95 175.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -78.18 -14.7 59.35 Favored 'General case' 0 N--CA 1.502 2.152 0 C-N-CA 125.92 1.688 . . . . 0.0 113.545 179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.74 -23.19 16.03 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 124.917 1.287 . . . . 0.0 110.011 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 70.81 82.63 0.15 Allowed 'General case' 0 C--N 1.395 2.571 0 C-N-CA 128.008 2.523 . . . . 0.0 109.813 -176.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.03 104.07 46.98 Favored Pre-proline 0 CA--C 1.558 1.278 0 CA-C-N 112.151 -2.295 . . . . 0.0 113.535 -177.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -62.45 -9.54 15.9 Favored 'Trans proline' 1 C--N 1.434 5.027 0 C-N-CA 124.225 3.283 . . . . 0.0 112.648 171.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 35.7 tt0 -58.41 -37.08 74.6 Favored 'General case' 0 CA--C 1.577 1.999 0 C-N-CA 125.46 1.504 . . . . 0.0 111.795 175.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 133' ' ' TYR . 8.1 mt -66.33 -32.7 74.26 Favored 'General case' 0 N--CA 1.517 2.902 0 C-N-CA 126.044 1.738 . . . . 0.0 112.642 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.18 77.21 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 114.25 -1.341 . . . . 0.0 109.702 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -72.14 -38.75 69.17 Favored 'General case' 0 CA--C 1.583 2.225 0 C-N-CA 123.679 0.792 . . . . 0.0 111.945 173.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 23.8 mt-10 -76.94 -45.97 25.85 Favored 'General case' 0 N--CA 1.515 2.781 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -178.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 73.2 mt -68.02 -41.88 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.063 0 C-N-CA 125.65 1.58 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 86.0 m -62.67 -40.42 97.04 Favored 'General case' 0 CA--C 1.584 2.265 0 O-C-N 124.523 1.14 . . . . 0.0 110.255 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.71 93.37 Favored 'General case' 0 N--CA 1.508 2.463 0 C-N-CA 124.54 1.136 . . . . 0.0 112.457 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.27 -28.08 61.05 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 125.015 1.326 . . . . 0.0 111.747 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -31.63 71.33 Favored 'General case' 0 C--N 1.393 2.467 0 C-N-CA 126.122 1.769 . . . . 0.0 111.744 177.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -75.01 -34.43 61.92 Favored 'General case' 0 C--N 1.388 2.271 0 C-N-CA 125.329 1.452 . . . . 0.0 109.275 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -71.44 -35.34 70.9 Favored 'General case' 0 C--N 1.387 2.233 0 C-N-CA 125.219 1.408 . . . . 0.0 112.669 178.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.66 -41.29 98.23 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 124.832 1.253 . . . . 0.0 109.894 173.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.6 p -75.86 -37.25 59.12 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 123.959 0.787 . . . . 0.0 112.671 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -73.48 -29.39 62.48 Favored 'General case' 0 N--CA 1.516 2.86 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 178.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 5.3 t -75.92 -35.34 59.8 Favored 'General case' 0 C--N 1.38 1.928 0 C-N-CA 124.242 1.017 . . . . 0.0 109.891 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -67.34 -38.82 85.47 Favored 'General case' 0 C--N 1.393 2.493 0 C-N-CA 125.309 1.443 . . . . 0.0 111.552 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 20.7 m -70.3 -41.09 73.81 Favored 'General case' 0 C--N 1.384 2.083 0 C-N-CA 125.937 1.695 . . . . 0.0 111.311 178.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.61 -38.59 87.31 Favored 'General case' 0 C--N 1.381 1.978 0 C-N-CA 125.945 1.698 . . . . 0.0 112.765 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 39.2 mt -70.57 -40.24 77.01 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.175 0 C-N-CA 125.691 1.597 . . . . 0.0 110.088 175.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -63.13 -41.43 99.31 Favored 'General case' 0 C--N 1.393 2.492 0 C-N-CA 124.554 1.141 . . . . 0.0 113.796 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -69.0 -39.5 79.27 Favored 'General case' 0 N--CA 1.512 2.658 0 C-N-CA 125.131 1.372 . . . . 0.0 113.293 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 14.9 p -71.61 -30.16 65.48 Favored 'General case' 0 N--CA 1.508 2.436 0 C-N-CA 124.473 1.109 . . . . 0.0 112.425 178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -72.82 -31.76 65.04 Favored 'General case' 0 C--N 1.38 1.932 0 C-N-CA 124.735 1.214 . . . . 0.0 112.174 177.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.16 -37.1 80.65 Favored 'General case' 0 N--CA 1.513 2.69 0 C-N-CA 125.068 1.347 . . . . 0.0 112.318 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -70.14 -33.03 71.3 Favored 'General case' 0 C--N 1.376 1.757 0 C-N-CA 124.797 1.239 . . . . 0.0 110.481 176.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.9 mt -73.45 -29.21 62.4 Favored 'General case' 0 C--N 1.39 2.332 0 C-N-CA 125.422 1.489 . . . . 0.0 112.124 177.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.56 -32.29 71.0 Favored 'General case' 0 N--CA 1.503 2.196 0 C-N-CA 125.853 1.661 . . . . 0.0 112.779 177.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -79.95 -13.33 59.44 Favored 'General case' 0 C--N 1.383 2.064 0 N-CA-C 116.422 2.008 . . . . 0.0 116.422 -177.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.12 -2.33 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 CA-C-N 118.954 0.797 . . . . 0.0 110.143 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 32.4 m -98.76 3.3 47.51 Favored 'General case' 0 CA--C 1.586 2.36 0 C-N-CA 124.991 1.316 . . . . 0.0 111.305 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 . . . . . 0 N--CA 1.531 3.577 0 C-N-CA 127.018 2.127 . . . . 0.0 113.564 -179.082 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 121.117 0.484 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -116.39 122.78 45.84 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 124.033 0.933 . . . . 0.0 111.379 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.48 -56.71 0.03 OUTLIER Pre-proline 0 CA--C 1.581 2.157 0 CA-C-O 116.175 -1.869 . . . . 0.0 111.827 178.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -75.78 112.89 3.61 Favored 'Trans proline' 1 C--N 1.451 5.963 0 CA-C-N 123.915 2.434 . . . . 0.0 113.644 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.04 -48.09 5.26 Favored 'General case' 0 N--CA 1.498 1.97 0 C-N-CA 123.084 0.554 . . . . 0.0 111.565 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -38.07 50.4 Favored 'General case' 0 C--N 1.372 1.577 0 C-N-CA 125.195 1.398 . . . . 0.0 112.435 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -33.04 72.93 Favored 'General case' 0 C--N 1.381 1.971 0 C-N-CA 124.486 1.115 . . . . 0.0 111.683 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -69.49 -37.54 77.28 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 124.558 1.161 . . . . 0.0 111.522 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.5 m -71.48 -40.77 70.03 Favored 'General case' 0 C--N 1.383 2.065 0 C-N-CA 123.634 0.774 . . . . 0.0 111.343 176.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 mt -58.86 -44.71 91.09 Favored 'General case' 0 C--N 1.388 2.278 0 O-C-N 124.336 1.022 . . . . 0.0 112.27 173.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -65.49 -39.56 92.06 Favored 'General case' 0 C--N 1.397 2.641 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.1 m -70.04 -36.93 75.41 Favored 'General case' 0 C--N 1.378 1.827 0 CA-C-O 117.837 -1.078 . . . . 0.0 110.777 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.89 -30.4 71.5 Favored 'General case' 0 N--CA 1.51 2.537 0 C-N-CA 124.268 1.027 . . . . 0.0 111.803 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.63 -44.94 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.332 0 C-N-CA 125.357 1.463 . . . . 0.0 110.021 177.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.17 -28.71 66.65 Favored 'General case' 0 N--CA 1.505 2.293 0 C-N-CA 124.152 0.981 . . . . 0.0 111.283 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.64 91.26 Favored 'General case' 0 N--CA 1.506 2.367 0 C-N-CA 125.45 1.5 . . . . 0.0 109.453 172.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mt -70.83 -37.48 73.19 Favored 'General case' 0 C--N 1.374 1.653 0 CA-C-O 117.497 -1.239 . . . . 0.0 111.037 177.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -59.48 -39.28 83.22 Favored 'General case' 0 N--CA 1.531 3.606 0 C-N-CA 126.313 1.845 . . . . 0.0 113.877 -179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.79 -14.11 56.82 Favored 'General case' 0 CA--C 1.56 1.354 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 176.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 mp -99.68 -25.84 14.26 Favored 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 124.236 1.014 . . . . 0.0 110.233 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.38 15.45 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 C-N-CA 127.405 2.282 . . . . 0.0 112.182 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.43 -67.82 1.68 Allowed Glycine 0 N--CA 1.489 2.223 0 CA-C-O 117.181 -1.9 . . . . 0.0 114.001 -175.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -71.7 -8.1 22.47 Favored 'Trans proline' 1 C--N 1.426 4.631 0 CA-C-N 122.042 2.921 . . . . 0.0 115.532 176.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mt -91.9 -6.49 51.36 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 125.759 1.624 . . . . 0.0 112.944 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.79 86.81 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 44' ' ' ALA . 19.3 m -96.53 -20.91 18.02 Favored 'General case' 0 C--N 1.385 2.147 0 C-N-CA 124.036 0.934 . . . . 0.0 113.002 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -104.01 146.64 28.4 Favored 'General case' 0 N--CA 1.504 2.261 0 C-N-CA 125.06 1.344 . . . . 0.0 112.105 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 74.1 137.53 0.06 Allowed 'General case' 0 N--CA 1.538 3.958 0 C-N-CA 127.229 2.212 . . . . 0.0 113.763 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -101.25 6.89 43.1 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 124.104 0.962 . . . . 0.0 113.47 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -108.52 144.67 35.86 Favored 'General case' 0 CA--C 1.584 2.267 0 C-N-CA 124.105 0.962 . . . . 0.0 110.464 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.8 m -114.08 104.81 54.76 Favored Pre-proline 0 C--N 1.392 2.426 0 CA-C-N 118.723 0.692 . . . . 0.0 112.469 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -81.63 -59.54 0.03 OUTLIER 'Trans proline' 1 C--N 1.432 4.949 0 C-N-CA 122.231 1.954 . . . . 0.0 114.977 175.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -119.22 14.59 13.04 Favored 'General case' 0 C--N 1.385 2.138 0 C-N-CA 125.362 1.465 . . . . 0.0 112.147 177.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.33 110.76 11.12 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.9 90.66 6.58 Favored 'General case' 0 C--N 1.37 1.481 0 C-N-CA 118.892 -1.123 . . . . 0.0 110.328 -178.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -83.56 -4.54 58.64 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 113.399 -1.728 . . . . 0.0 114.01 -177.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -80.15 -26.96 39.11 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.003 0.921 . . . . 0.0 110.921 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 mt -100.4 -3.99 29.92 Favored 'General case' 0 C--N 1.385 2.123 0 C-N-CA 123.851 0.86 . . . . 0.0 111.921 178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -120.87 155.88 33.17 Favored 'General case' 0 C--N 1.382 1.988 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.51 111.98 16.94 Favored 'General case' 0 C--N 1.378 1.812 0 CA-C-N 113.814 -1.539 . . . . 0.0 107.014 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.5 t -137.53 158.58 44.08 Favored 'General case' 0 N--CA 1.499 1.993 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.466 178.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -108.46 47.04 0.92 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -176.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.23 -69.59 0.49 Allowed Glycine 0 N--CA 1.49 2.254 0 N-CA-C 118.869 2.307 . . . . 0.0 118.869 169.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 26' ' ' SER . . . -173.08 60.09 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 CA-C-N 119.939 1.87 . . . . 0.0 110.571 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -135.19 136.37 41.74 Favored 'General case' 0 CA--C 1.558 1.265 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -178.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.99 -28.12 65.26 Favored 'General case' 0 N--CA 1.526 3.34 0 C-N-CA 123.884 0.873 . . . . 0.0 109.068 171.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.22 -36.39 92.34 Favored Glycine 0 C--N 1.382 3.1 0 O-C-N 125.062 1.476 . . . . 0.0 113.981 176.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -23.53 39.76 Favored 'General case' 0 C--N 1.395 2.575 0 CA-C-N 117.756 0.778 . . . . 0.0 112.138 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -81.28 -31.74 33.53 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.193 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mt -77.22 -34.33 56.06 Favored 'General case' 0 C--N 1.369 1.427 0 C-N-CA 125.021 1.328 . . . . 0.0 112.755 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.09 -31.06 68.45 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 125.309 1.444 . . . . 0.0 111.253 176.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -80.04 -31.45 39.5 Favored 'General case' 0 C--N 1.382 2.009 0 C-N-CA 123.404 0.681 . . . . 0.0 109.402 178.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.22 -40.4 67.83 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 125.195 1.559 . . . . 0.0 112.122 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -67.35 -37.74 83.72 Favored 'General case' 0 N--CA 1.503 2.222 0 C-N-CA 124.873 1.269 . . . . 0.0 110.858 174.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.63 -26.04 61.52 Favored 'General case' 0 N--CA 1.499 1.999 0 C-N-CA 126.087 1.755 . . . . 0.0 112.977 177.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 m -78.31 -30.74 48.47 Favored 'General case' 0 C--N 1.386 2.184 0 C-N-CA 123.991 0.916 . . . . 0.0 110.275 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.19 -43.39 67.52 Favored 'General case' 0 C--N 1.383 2.037 0 C-N-CA 124.372 1.069 . . . . 0.0 110.684 176.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.1 p -70.72 -31.62 68.54 Favored 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 125.761 1.624 . . . . 0.0 114.197 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -77.51 -42.29 36.16 Favored 'General case' 0 N--CA 1.513 2.712 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.31 -32.28 72.29 Favored 'General case' 0 C--N 1.389 2.325 0 C-N-CA 124.246 1.018 . . . . 0.0 111.222 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 11.6 mt-10 -66.24 -32.61 74.13 Favored 'General case' 0 C--N 1.386 2.177 0 C-N-CA 126.063 1.745 . . . . 0.0 112.103 176.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.9 -38.3 90.57 Favored 'General case' 0 C--N 1.391 2.406 0 C-N-CA 124.058 0.943 . . . . 0.0 112.325 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.67 -30.29 67.93 Favored 'General case' 0 C--N 1.395 2.559 0 C-N-CA 123.763 0.825 . . . . 0.0 112.162 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' A' ' 61' ' ' GLU . 52.4 t -60.92 -38.83 80.19 Favored 'Isoleucine or valine' 0 C--N 1.383 2.058 0 C-N-CA 126.462 1.905 . . . . 0.0 110.365 175.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -53.33 -33.01 51.7 Favored 'General case' 0 C--N 1.392 2.444 0 O-C-N 124.902 1.376 . . . . 0.0 112.682 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -70.27 -37.42 74.86 Favored 'General case' 0 C--N 1.402 2.858 0 C-N-CA 125.336 1.454 . . . . 0.0 112.69 176.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.13 35.65 1.77 Allowed Glycine 0 C--N 1.375 2.708 0 N-CA-C 116.443 1.337 . . . . 0.0 116.443 175.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.25 110.26 21.79 Favored 'General case' 0 C--N 1.38 1.911 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.17 -25.02 62.36 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-N 113.594 -1.639 . . . . 0.0 113.536 -177.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.9 m -71.67 -37.69 70.73 Favored 'General case' 0 CA--C 1.572 1.825 0 C-N-CA 124.954 1.302 . . . . 0.0 111.047 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -75.74 -22.61 56.37 Favored 'General case' 0 C--N 1.39 2.364 0 C-N-CA 124.105 0.962 . . . . 0.0 112.018 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.9 t -76.68 -48.47 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 C-N-CA 126.387 1.875 . . . . 0.0 109.699 178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.33 84.39 Favored 'General case' 0 C--N 1.386 2.153 0 C-N-CA 127.184 2.194 . . . . 0.0 112.494 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -41.7 98.12 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 125.771 1.628 . . . . 0.0 109.643 172.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.4 tt -71.47 -37.56 71.32 Favored 'General case' 0 CA--C 1.572 1.792 0 C-N-CA 124.586 1.154 . . . . 0.0 109.81 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.81 -40.67 97.17 Favored 'General case' 0 N--CA 1.512 2.644 0 C-N-CA 124.787 1.235 . . . . 0.0 112.269 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -70.91 -37.91 72.96 Favored 'General case' 0 N--CA 1.517 2.886 0 C-N-CA 126.36 1.864 . . . . 0.0 110.92 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -70.24 -33.91 72.2 Favored 'General case' 0 N--CA 1.498 1.968 0 C-N-CA 125.509 1.523 . . . . 0.0 110.377 173.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -45.4 70.53 Favored 'General case' 0 C--N 1.378 1.839 0 C-N-CA 124.46 1.104 . . . . 0.0 112.338 179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -67.96 -41.38 82.53 Favored 'General case' 0 C--N 1.388 2.258 0 C-N-CA 125.083 1.353 . . . . 0.0 112.96 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.17 83.91 Favored 'General case' 0 C--N 1.389 2.315 0 C-N-CA 126.079 1.751 . . . . 0.0 112.124 177.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -73.11 -28.04 62.04 Favored 'General case' 0 C--N 1.372 1.558 0 C-N-CA 123.511 0.724 . . . . 0.0 112.876 176.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.544 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 27.7 mt -63.14 -46.65 95.44 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.362 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.72 -47.32 72.71 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 124.628 1.171 . . . . 0.0 112.539 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.2 -44.47 62.92 Favored 'General case' 0 C--N 1.377 1.803 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.2 mt -86.45 -46.62 10.04 Favored 'General case' 0 C--N 1.373 1.611 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -175.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 19.4 mt-30 -65.24 -36.0 82.78 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 124.068 0.855 . . . . 0.0 112.737 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.6 ttt180 -74.91 -41.02 60.52 Favored 'General case' 0 CA--C 1.585 2.321 0 C-N-CA 124.752 1.221 . . . . 0.0 113.346 177.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -75.52 -26.65 58.24 Favored 'General case' 0 C--N 1.392 2.436 0 CA-C-N 119.753 1.161 . . . . 0.0 110.132 178.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -77.35 -24.0 50.79 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 126.017 1.727 . . . . 0.0 110.331 174.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.6 91.21 Favored 'General case' 0 C--N 1.409 3.179 0 C-N-CA 123.741 0.816 . . . . 0.0 113.202 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 p -76.03 -29.15 57.99 Favored 'General case' 0 C--N 1.389 2.317 0 C-N-CA 124.766 1.226 . . . . 0.0 111.191 175.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.94 -34.92 70.41 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 125.171 1.388 . . . . 0.0 113.727 174.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.3 p -73.83 -8.35 55.71 Favored 'General case' 0 N--CA 1.523 3.214 0 C-N-CA 125.1 1.36 . . . . 0.0 114.048 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.85 -13.13 59.99 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 126.199 1.8 . . . . 0.0 112.696 172.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -93.77 -4.6 49.99 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 122.162 0.982 . . . . 0.0 108.433 172.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -113.96 26.82 10.01 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 126.698 1.999 . . . . 0.0 112.828 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -121.13 -7.56 9.37 Favored 'General case' 0 CA--C 1.574 1.871 0 N-CA-C 104.408 -2.441 . . . . 0.0 104.408 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -120.78 -150.56 0.46 Allowed 'General case' 0 C--N 1.408 3.126 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -177.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -95.97 1.34 52.72 Favored 'General case' 0 N--CA 1.518 2.973 0 C-N-CA 124.908 1.283 . . . . 0.0 111.265 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.27 -11.33 59.82 Favored 'General case' 0 CA--C 1.576 1.948 0 C-N-CA 128.973 2.909 . . . . 0.0 109.814 173.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -62.89 -35.95 81.74 Favored 'General case' 0 CA--C 1.581 2.161 0 CA-C-N 112.041 -2.345 . . . . 0.0 114.462 -174.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.9 mp -66.02 -53.86 31.04 Favored Pre-proline 0 CA--C 1.595 2.706 0 CA-C-O 116.133 -1.889 . . . . 0.0 113.012 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -85.27 -4.65 9.46 Favored 'Trans proline' 1 C--N 1.451 5.927 0 CA-C-N 123.991 2.461 . . . . 0.0 115.188 174.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -140.93 97.82 0.22 Allowed Glycine 0 C--N 1.357 1.748 0 N-CA-C 107.898 -2.081 . . . . 0.0 107.898 174.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 171.6 -52.31 0.18 Allowed Glycine 0 C--N 1.344 1.015 0 CA-C-O 119.582 -0.565 . . . . 0.0 112.152 -173.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -66.05 -41.22 91.13 Favored 'General case' 0 N--CA 1.511 2.61 0 C-N-CA 125.021 1.328 . . . . 0.0 113.059 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.457 ' H ' ' HG ' ' A' ' 108' ' ' LEU . 0.0 OUTLIER -76.3 -29.28 57.28 Favored 'General case' 0 N--CA 1.506 2.355 0 C-N-CA 124.543 1.137 . . . . 0.0 112.59 176.354 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -70.49 -35.03 73.01 Favored 'General case' 0 C--N 1.382 1.984 0 C-N-CA 125.045 1.338 . . . . 0.0 110.738 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 114' ' ' GLU . . . -65.47 -34.91 79.39 Favored 'General case' 0 C--N 1.396 2.595 0 C-N-CA 126.248 1.819 . . . . 0.0 111.0 173.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.605 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 0.0 OUTLIER -71.91 -45.72 60.2 Favored 'General case' 0 C--N 1.375 1.705 0 C-N-CA 123.481 0.713 . . . . 0.0 110.401 174.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -62.49 1.76 Allowed 'General case' 0 CA--C 1.599 2.859 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 178.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -82.76 -42.06 18.44 Favored 'General case' 0 C--N 1.383 2.027 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -175.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 31.2 mt-10 -75.04 -28.16 60.32 Favored 'General case' 0 N--CA 1.503 2.196 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.605 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 4.0 m-85 -69.9 -40.34 75.67 Favored 'General case' 0 C--N 1.392 2.431 0 CA-C-N 118.581 0.628 . . . . 0.0 112.138 176.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -70.12 -35.45 74.12 Favored 'General case' 0 C--N 1.386 2.175 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -68.77 -40.74 79.57 Favored 'General case' 0 N--CA 1.517 2.898 0 C-N-CA 124.494 1.118 . . . . 0.0 113.723 178.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -70.41 -35.66 73.56 Favored 'General case' 0 N--CA 1.507 2.387 0 C-N-CA 124.504 1.122 . . . . 0.0 112.372 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -71.11 -27.96 63.96 Favored 'General case' 0 C--N 1.383 2.038 0 C-N-CA 124.974 1.309 . . . . 0.0 111.978 177.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -66.36 -47.41 73.49 Favored 'General case' 0 C--N 1.387 2.21 0 C-N-CA 125.985 1.714 . . . . 0.0 113.447 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -72.23 -39.39 68.52 Favored 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.6 mt -59.46 -34.32 72.38 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 123.582 0.551 . . . . 0.0 110.442 173.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.16 -31.59 67.88 Favored 'General case' 0 C--N 1.379 1.87 0 C-N-CA 124.567 1.147 . . . . 0.0 113.143 176.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.21 92.46 Favored 'General case' 0 C--N 1.404 2.959 0 C-N-CA 125.202 1.401 . . . . 0.0 112.405 -177.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 61.2 mtt -64.37 -39.81 94.6 Favored 'General case' 0 C--N 1.396 2.619 0 O-C-N 125.111 1.507 . . . . 0.0 110.719 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -66.12 -40.76 90.95 Favored 'General case' 0 C--N 1.387 2.222 0 C-N-CA 124.545 1.138 . . . . 0.0 110.668 176.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -64.13 -40.66 96.66 Favored 'General case' 0 N--CA 1.513 2.724 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 -175.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.01 -40.53 78.61 Favored 'General case' 0 N--CA 1.51 2.569 0 C-N-CA 123.897 0.879 . . . . 0.0 111.976 178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.68 -32.36 69.59 Favored 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 124.522 1.129 . . . . 0.0 112.462 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -65.89 -42.82 89.8 Favored 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 125.712 1.605 . . . . 0.0 113.682 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -73.14 -42.93 62.32 Favored 'General case' 0 N--CA 1.502 2.162 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.04 -40.25 68.51 Favored 'General case' 0 N--CA 1.505 2.302 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -173.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -88.94 -13.61 38.61 Favored 'General case' 0 CA--C 1.577 1.987 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.56 90.02 Favored 'General case' 0 N--CA 1.515 2.786 0 C-N-CA 125.42 1.488 . . . . 0.0 113.359 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -84.62 -17.11 39.71 Favored 'General case' 0 N--CA 1.508 2.427 0 C-N-CA 125.94 1.696 . . . . 0.0 114.026 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -93.34 -19.97 20.82 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 126.141 1.776 . . . . 0.0 109.584 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.14 88.16 0.09 Allowed 'General case' 0 C--N 1.389 2.307 0 C-N-CA 126.47 1.908 . . . . 0.0 108.257 -176.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.98 128.43 21.48 Favored Pre-proline 0 CA--C 1.554 1.105 0 CA-C-N 112.155 -2.293 . . . . 0.0 115.973 -175.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -68.97 -8.35 23.32 Favored 'Trans proline' 1 C--N 1.428 4.756 0 C-N-CA 122.814 2.343 . . . . 0.0 111.568 170.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.424 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -64.1 -27.87 69.39 Favored 'General case' 0 C--N 1.391 2.397 0 C-N-CA 123.888 0.875 . . . . 0.0 111.427 176.496 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.32 -40.99 83.55 Favored 'General case' 0 N--CA 1.521 3.093 0 C-N-CA 126.01 1.724 . . . . 0.0 112.004 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -71.67 -38.37 70.66 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-N 113.251 -1.795 . . . . 0.0 110.751 -175.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -72.16 -38.93 69.05 Favored 'General case' 0 CA--C 1.58 2.117 0 O-C-N 123.918 0.761 . . . . 0.0 112.358 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 29.9 mt-10 -78.07 -50.04 12.81 Favored 'General case' 0 N--CA 1.511 2.591 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -177.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.464 ' O ' ' HB2' ' A' ' 149' ' ' ASP . 5.7 mt -69.35 -39.79 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.66 0 C-N-CA 124.182 0.993 . . . . 0.0 110.445 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 92.4 m -63.41 -40.93 98.53 Favored 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 123.73 0.812 . . . . 0.0 110.974 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.41 -41.32 93.72 Favored 'General case' 0 N--CA 1.511 2.599 0 C-N-CA 124.248 1.019 . . . . 0.0 112.865 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.37 -27.63 59.21 Favored 'General case' 0 C--N 1.379 1.882 0 C-N-CA 124.659 1.184 . . . . 0.0 111.599 177.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 0.4 OUTLIER -69.52 -31.74 70.16 Favored 'General case' 0 C--N 1.394 2.51 0 C-N-CA 125.972 1.709 . . . . 0.0 110.988 177.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -74.06 -36.17 64.33 Favored 'General case' 0 C--N 1.389 2.292 0 C-N-CA 126.142 1.777 . . . . 0.0 109.36 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -72.03 -32.86 67.55 Favored 'General case' 0 C--N 1.386 2.162 0 C-N-CA 125.534 1.534 . . . . 0.0 112.352 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.2 tt -65.56 -39.69 91.97 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 124.57 1.148 . . . . 0.0 108.893 174.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 17.6 p -76.65 -35.16 58.15 Favored 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 123.596 0.758 . . . . 0.0 112.144 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -70.38 -31.48 68.74 Favored 'General case' 0 N--CA 1.509 2.488 0 C-N-CA 124.766 1.227 . . . . 0.0 112.05 178.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 66.8 m -70.58 -37.73 73.98 Favored 'General case' 0 C--N 1.383 2.057 0 C-N-CA 123.83 0.852 . . . . 0.0 110.158 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -37.13 74.03 Favored 'General case' 0 N--CA 1.514 2.73 0 C-N-CA 124.451 1.101 . . . . 0.0 113.636 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -42.33 68.45 Favored 'General case' 0 CA--C 1.573 1.845 0 C-N-CA 124.023 0.929 . . . . 0.0 111.449 177.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.8 75.1 Favored 'General case' 0 C--N 1.38 1.91 0 C-N-CA 125.237 1.415 . . . . 0.0 112.844 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 46.4 mt -70.2 -43.93 78.34 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.742 0 C-N-CA 125.744 1.618 . . . . 0.0 109.861 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.83 94.59 Favored 'General case' 0 N--CA 1.511 2.623 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -65.34 -39.47 92.42 Favored 'General case' 0 N--CA 1.516 2.848 0 C-N-CA 124.785 1.234 . . . . 0.0 113.598 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 17.7 p -70.6 -33.12 70.69 Favored 'General case' 0 N--CA 1.511 2.618 0 C-N-CA 124.045 0.938 . . . . 0.0 112.246 177.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -70.13 -36.36 74.72 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 125.043 1.337 . . . . 0.0 112.127 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.5 -37.38 86.61 Favored 'General case' 0 N--CA 1.516 2.842 0 C-N-CA 125.189 1.395 . . . . 0.0 112.619 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.0 -33.35 73.52 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.725 1.21 . . . . 0.0 110.899 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -28.67 54.1 Favored 'General case' 0 C--N 1.386 2.157 0 C-N-CA 125.663 1.585 . . . . 0.0 112.046 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -68.68 -34.89 76.45 Favored 'General case' 0 N--CA 1.506 2.363 0 C-N-CA 125.935 1.694 . . . . 0.0 112.13 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.76 -3.74 45.84 Favored 'General case' 0 C--N 1.385 2.125 0 C-N-CA 125.37 1.468 . . . . 0.0 114.503 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 6.2 mt -104.47 103.92 16.02 Favored 'Isoleucine or valine' 0 C--N 1.37 1.457 0 CA-C-O 123.966 1.841 . . . . 0.0 107.228 178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . 0.253 3.6 m 49.44 56.86 7.19 Favored 'General case' 0 CA--C 1.562 1.44 0 CA-C-N 108.649 -3.887 . . . . 0.0 112.763 -175.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 15.9 ttt180 . . . . . 0 N--CA 1.508 2.455 0 CA-C-N 112.948 -1.933 . . . . 0.0 115.103 174.525 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mmt . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -105.42 -43.1 5.06 Favored 'General case' 0 N--CA 1.503 2.186 0 C-N-CA 123.99 0.916 . . . . 0.0 112.857 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -128.83 90.46 45.92 Favored Pre-proline 0 CA--C 1.573 1.831 0 C-N-CA 123.651 0.781 . . . . 0.0 111.333 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -60.93 -16.01 42.29 Favored 'Trans proline' 1 C--N 1.43 4.843 0 C-N-CA 124.486 3.457 . . . . 0.0 117.838 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mt -84.39 -36.04 22.73 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 119.045 0.839 . . . . 0.0 111.805 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.11 -36.37 48.04 Favored 'General case' 0 C--N 1.376 1.75 0 C-N-CA 125.049 1.34 . . . . 0.0 112.448 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.51 -31.93 70.48 Favored 'General case' 0 C--N 1.385 2.114 0 C-N-CA 123.939 0.896 . . . . 0.0 109.535 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.41 -37.42 85.18 Favored 'General case' 0 C--N 1.372 1.561 0 O-C-N 124.675 1.235 . . . . 0.0 110.531 177.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -70.03 -40.95 74.87 Favored 'General case' 0 C--N 1.385 2.15 0 C-N-CA 124.171 0.988 . . . . 0.0 110.833 177.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -58.58 -43.94 89.62 Favored 'General case' 0 C--N 1.39 2.336 0 O-C-N 124.399 1.062 . . . . 0.0 112.093 173.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -64.76 -40.65 95.63 Favored 'General case' 0 C--N 1.401 2.835 0 C-N-CA 125.393 1.477 . . . . 0.0 114.734 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -69.68 -36.36 75.92 Favored 'General case' 0 C--N 1.378 1.829 0 CA-C-O 117.858 -1.067 . . . . 0.0 110.588 178.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -62.74 -30.99 71.85 Favored 'General case' 0 N--CA 1.504 2.253 0 C-N-CA 123.991 0.916 . . . . 0.0 111.498 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.4 t -75.87 -47.94 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.475 0 C-N-CA 125.711 1.604 . . . . 0.0 111.32 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.49 -29.42 67.06 Favored 'General case' 0 N--CA 1.505 2.311 0 CA-C-N 118.807 0.731 . . . . 0.0 111.342 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.95 93.58 Favored 'General case' 0 N--CA 1.511 2.588 0 C-N-CA 125.054 1.342 . . . . 0.0 110.331 171.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -34.91 68.55 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 125.296 1.438 . . . . 0.0 111.568 177.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -60.68 -39.94 90.31 Favored 'General case' 0 N--CA 1.508 2.436 0 C-N-CA 127.385 2.274 . . . . 0.0 111.785 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -29.4 64.48 Favored 'General case' 0 N--CA 1.505 2.28 0 C-N-CA 124.197 0.999 . . . . 0.0 111.942 175.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.38 -21.34 45.86 Favored 'General case' 0 CA--C 1.589 2.448 0 C-N-CA 123.683 0.793 . . . . 0.0 112.075 174.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.411 ' O ' HG22 ' A' ' 21' ' ' ILE . 63.3 mt -110.45 18.48 7.04 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.551 0 C-N-CA 128.275 2.63 . . . . 0.0 109.14 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.01 -84.56 0.16 Allowed Glycine 0 C--N 1.369 2.4 0 CA-C-O 116.713 -2.159 . . . . 0.0 112.383 -176.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -66.75 -2.42 7.58 Favored 'Trans proline' 1 C--N 1.421 4.378 0 CA-C-N 122.183 2.991 . . . . 0.0 115.125 175.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.62 -8.69 54.24 Favored 'General case' 0 CA--C 1.58 2.122 0 C-N-CA 126.407 1.883 . . . . 0.0 113.134 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.431 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -63.69 -41.16 98.18 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 126.672 1.989 . . . . 0.0 115.846 178.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.01 -34.89 13.54 Favored 'General case' 0 C--N 1.384 2.104 0 C-N-CA 124.24 1.016 . . . . 0.0 111.266 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -118.49 119.9 35.91 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 125.497 1.519 . . . . 0.0 112.123 -179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -85.09 122.44 29.31 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 123.574 0.75 . . . . 0.0 112.752 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -117.84 -125.55 0.28 Allowed 'General case' 0 N--CA 1.499 2.013 0 C-N-CA 124.063 0.945 . . . . 0.0 110.773 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -133.11 93.34 3.16 Favored 'General case' 0 C--N 1.386 2.189 0 CA-C-N 119.779 1.172 . . . . 0.0 112.206 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.4 m -114.79 118.38 40.97 Favored Pre-proline 0 C--N 1.382 2.022 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.413 175.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.92 -18.54 27.87 Favored 'Trans proline' 1 C--N 1.429 4.776 0 C-N-CA 122.837 2.358 . . . . 0.0 116.522 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -106.92 23.53 14.22 Favored 'General case' 0 CA--C 1.581 2.147 0 C-N-CA 125.044 1.338 . . . . 0.0 112.529 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.24 107.02 2.64 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 123.9 0.88 . . . . 0.0 110.543 -178.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.44 92.39 3.61 Favored 'General case' 0 C--N 1.377 1.775 0 C-N-CA 119.43 -0.908 . . . . 0.0 109.853 178.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -82.5 -3.37 55.75 Favored 'General case' 0 N--CA 1.51 2.564 0 C-N-CA 125.308 1.443 . . . . 0.0 114.085 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -79.17 -16.71 56.2 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 123.712 0.805 . . . . 0.0 112.487 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.37 -4.53 59.19 Favored 'General case' 0 C--N 1.387 2.205 0 C-N-CA 123.753 0.821 . . . . 0.0 113.089 177.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.97 156.32 29.79 Favored 'General case' 0 C--N 1.383 2.032 0 C-N-CA 123.823 0.849 . . . . 0.0 112.573 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.54 112.3 18.32 Favored 'General case' 0 C--N 1.382 1.999 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 34.8 m 68.01 113.44 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.42 0 C-N-CA 127.87 2.468 . . . . 0.0 113.898 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -91.42 -45.64 8.44 Favored 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 112.251 -2.249 . . . . 0.0 110.969 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 66.06 8.12 41.03 Favored Glycine 1 N--CA 1.519 4.188 0 CA-C-O 115.823 -2.654 . . . . 0.0 118.241 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 60.51 29.06 18.72 Favored 'General case' 0 C--N 1.407 3.106 0 CA-C-N 121.844 2.822 . . . . 0.0 112.241 -175.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -156.4 151.17 25.95 Favored 'General case' 0 C--N 1.376 1.729 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -175.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.431 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 5.8 mp -70.61 -22.68 62.51 Favored 'General case' 0 N--CA 1.522 3.174 0 C-N-CA 124.996 1.318 . . . . 0.0 108.69 169.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.75 -35.69 87.21 Favored Glycine 0 C--N 1.382 3.134 0 C-N-CA 124.965 1.269 . . . . 0.0 114.377 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.88 -23.46 39.0 Favored 'General case' 0 C--N 1.395 2.585 0 CA-C-N 117.879 0.84 . . . . 0.0 111.206 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -81.08 -31.61 34.32 Favored 'General case' 0 C--N 1.388 2.265 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.861 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -77.6 -33.08 53.93 Favored 'General case' 0 C--N 1.371 1.541 0 C-N-CA 125.136 1.375 . . . . 0.0 112.301 176.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.7 -39.16 73.6 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 125.154 1.382 . . . . 0.0 111.863 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -75.07 -32.19 61.44 Favored 'General case' 0 C--N 1.384 2.083 0 C-N-CA 123.687 0.795 . . . . 0.0 111.378 178.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.12 -39.28 68.97 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 125.117 1.511 . . . . 0.0 112.261 178.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.12 -40.21 86.78 Favored 'General case' 0 CA--C 1.576 1.967 0 C-N-CA 124.166 0.986 . . . . 0.0 110.346 175.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -72.92 -25.73 61.16 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 126.503 1.921 . . . . 0.0 113.779 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 t -79.15 -34.06 43.59 Favored 'General case' 0 N--CA 1.499 1.986 0 C-N-CA 123.939 0.896 . . . . 0.0 110.035 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.2 tp -72.13 -39.81 68.56 Favored 'General case' 0 C--N 1.381 1.957 0 C-N-CA 125.081 1.352 . . . . 0.0 110.617 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.1 p -71.17 -30.41 66.39 Favored 'General case' 0 N--CA 1.508 2.453 0 C-N-CA 125.204 1.402 . . . . 0.0 112.788 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -77.47 -35.46 53.75 Favored 'General case' 0 N--CA 1.51 2.532 0 C-N-CA 123.881 0.872 . . . . 0.0 112.611 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.28 -33.08 73.7 Favored 'General case' 0 C--N 1.392 2.417 0 C-N-CA 125.052 1.341 . . . . 0.0 110.791 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.0 -36.77 82.51 Favored 'General case' 0 C--N 1.387 2.203 0 C-N-CA 126.788 2.035 . . . . 0.0 111.557 175.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.88 94.17 Favored 'General case' 0 C--N 1.394 2.512 0 O-C-N 124.457 1.098 . . . . 0.0 112.014 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.12 -29.19 70.34 Favored 'General case' 0 C--N 1.394 2.53 0 C-N-CA 124.942 1.297 . . . . 0.0 113.486 173.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.9 t -66.69 -37.5 79.64 Favored 'Isoleucine or valine' 0 C--N 1.384 2.096 0 C-N-CA 124.956 1.302 . . . . 0.0 108.245 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -65.59 -19.6 65.98 Favored 'General case' 0 N--CA 1.51 2.543 0 C-N-CA 125.891 1.676 . . . . 0.0 111.929 174.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -77.24 -39.75 47.33 Favored 'General case' 0 C--N 1.383 2.026 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 172.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.43 30.96 2.71 Favored Glycine 0 C--N 1.383 3.177 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 171.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.91 114.83 27.13 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-O 121.923 0.868 . . . . 0.0 110.866 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.07 -25.57 61.83 Favored 'General case' 0 N--CA 1.502 2.131 0 CA-C-N 113.233 -1.803 . . . . 0.0 112.51 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.9 m -71.16 -37.85 72.21 Favored 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 125.307 1.443 . . . . 0.0 110.787 176.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -74.49 -23.0 58.79 Favored 'General case' 0 C--N 1.39 2.367 0 C-N-CA 124.275 1.03 . . . . 0.0 112.263 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.25 -46.88 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 126.39 1.876 . . . . 0.0 109.659 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.16 85.78 Favored 'General case' 0 C--N 1.381 1.968 0 C-N-CA 127.329 2.252 . . . . 0.0 112.486 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -46.13 86.71 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 126.132 1.773 . . . . 0.0 109.011 172.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 tt -61.62 -41.98 98.23 Favored 'General case' 0 N--CA 1.511 2.585 0 O-C-N 124.711 1.257 . . . . 0.0 111.145 174.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.56 94.74 Favored 'General case' 0 N--CA 1.512 2.639 0 C-N-CA 125.183 1.393 . . . . 0.0 112.952 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.44 -38.08 77.66 Favored 'General case' 0 N--CA 1.52 3.049 0 C-N-CA 125.722 1.609 . . . . 0.0 111.31 176.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -69.92 -32.37 70.63 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 125.284 1.434 . . . . 0.0 110.244 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.96 -45.95 76.16 Favored 'General case' 0 CA--C 1.577 2.012 0 C-N-CA 124.87 1.268 . . . . 0.0 112.036 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.27 -39.79 82.06 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 125.09 1.356 . . . . 0.0 112.896 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.79 -36.37 80.34 Favored 'General case' 0 C--N 1.384 2.071 0 C-N-CA 125.984 1.713 . . . . 0.0 112.17 177.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -73.54 -28.03 61.66 Favored 'General case' 0 C--N 1.375 1.707 0 C-N-CA 123.553 0.741 . . . . 0.0 112.751 177.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 80' ' ' ALA . 15.3 mt -63.38 -45.88 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.411 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 175.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.6 -46.17 76.79 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 124.181 0.992 . . . . 0.0 112.672 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.28 -44.55 59.01 Favored 'General case' 0 C--N 1.381 1.961 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -176.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.0 mt -85.64 -45.71 11.45 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -175.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -64.99 -37.12 86.62 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 123.696 0.622 . . . . 0.0 112.491 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -76.94 -42.33 39.7 Favored 'General case' 0 CA--C 1.597 2.773 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -73.92 -31.58 63.14 Favored 'General case' 0 C--N 1.403 2.9 0 CA-C-N 118.411 0.551 . . . . 0.0 109.981 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.68 -23.48 53.19 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 125.417 1.487 . . . . 0.0 110.921 175.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.49 -48.33 80.04 Favored 'General case' 0 C--N 1.416 3.499 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -176.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -80.38 -26.76 38.4 Favored 'General case' 0 N--CA 1.508 2.468 0 C-N-CA 124.376 1.07 . . . . 0.0 111.622 175.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.93 -29.49 65.19 Favored 'General case' 0 CA--C 1.57 1.738 0 C-N-CA 124.599 1.16 . . . . 0.0 112.884 173.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.6 p -59.31 -11.61 4.41 Favored 'General case' 2 C--N 1.431 4.139 0 C-N-CA 125.613 1.565 . . . . 0.0 114.907 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.15 -60.37 2.06 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 127.233 2.213 . . . . 0.0 115.751 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -73.36 -10.15 59.44 Favored 'General case' 0 N--CA 1.505 2.291 0 CA-C-O 121.69 0.757 . . . . 0.0 109.771 178.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.507 ' HA ' ' HB3' ' A' ' 101' ' ' ALA . 22.0 ttt180 -62.74 -29.5 70.73 Favored 'General case' 0 C--N 1.373 1.61 0 C-N-CA 128.546 2.738 . . . . 0.0 114.837 177.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -107.56 4.16 25.72 Favored 'General case' 0 C--N 1.382 2.015 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 -168.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . 0.264 8.4 mt-10 -100.16 -71.29 0.71 Allowed 'General case' 0 N--CA 1.513 2.677 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 178.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -115.36 -14.52 11.62 Favored 'General case' 0 N--CA 1.523 3.22 0 CA-C-N 120.096 1.316 . . . . 0.0 111.68 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.507 ' HB3' ' HA ' ' A' ' 97' ' ' ARG . . . -79.17 -19.16 51.62 Favored 'General case' 0 N--CA 1.498 1.953 0 C-N-CA 129.278 3.031 . . . . 0.0 112.17 175.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -61.82 -51.89 66.39 Favored 'General case' 0 CA--C 1.58 2.106 0 C-N-CA 125.402 1.481 . . . . 0.0 113.306 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.49 -35.91 19.7 Favored Pre-proline 0 N--CA 1.507 2.386 1 N-CA-C 121.849 4.018 . . . . 0.0 121.849 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -54.39 -24.64 36.05 Favored 'Trans proline' 1 C--N 1.45 5.872 0 CA-C-N 125.781 3.1 . . . . 0.0 116.745 -177.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -136.5 -89.0 0.25 Allowed Glycine 0 C--N 1.355 1.59 0 N-CA-C 107.442 -2.263 . . . . 0.0 107.442 177.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 164.86 -49.59 0.29 Allowed Glycine 0 C--N 1.352 1.451 0 N-CA-C 108.564 -1.814 . . . . 0.0 108.564 177.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -134.12 52.94 2.03 Favored 'General case' 0 CA--C 1.573 1.83 0 CA-C-N 113.127 -1.537 . . . . 0.0 109.731 177.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.58 -39.97 94.69 Favored 'General case' 0 N--CA 1.526 3.347 0 C-N-CA 124.694 1.197 . . . . 0.0 112.558 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -68.76 -33.87 74.62 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 126.405 1.882 . . . . 0.0 111.316 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.77 78.84 Favored 'General case' 0 C--N 1.383 2.038 0 C-N-CA 125.006 1.322 . . . . 0.0 110.909 173.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.702 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 5.1 mpt_? -72.49 -45.28 60.18 Favored 'General case' 0 C--N 1.377 1.787 0 C-N-CA 123.549 0.74 . . . . 0.0 110.54 175.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mp -60.42 -62.68 1.69 Allowed 'General case' 0 CA--C 1.592 2.585 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.79 -47.55 9.61 Favored 'General case' 0 C--N 1.383 2.037 0 N-CA-C 116.187 1.921 . . . . 0.0 116.187 -175.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -71.95 -34.45 69.01 Favored 'General case' 0 N--CA 1.507 2.384 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -178.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.702 ' HB2' ' O ' ' A' ' 111' ' ' ARG . 3.7 m-85 -69.83 -41.05 75.46 Favored 'General case' 0 C--N 1.395 2.552 0 CA-C-N 118.832 0.742 . . . . 0.0 111.847 178.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -68.55 -38.19 80.59 Favored 'General case' 0 C--N 1.394 2.507 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -64.15 -42.91 96.6 Favored 'General case' 0 N--CA 1.521 3.093 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -69.65 -37.39 76.72 Favored 'General case' 0 N--CA 1.504 2.233 0 C-N-CA 124.419 1.088 . . . . 0.0 112.678 178.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -70.23 -34.38 72.8 Favored 'General case' 0 C--N 1.378 1.831 0 C-N-CA 124.891 1.277 . . . . 0.0 112.456 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -63.72 -41.75 98.02 Favored 'General case' 0 N--CA 1.51 2.532 0 C-N-CA 125.567 1.547 . . . . 0.0 114.376 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -72.93 -39.63 66.09 Favored 'General case' 0 N--CA 1.508 2.429 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.0 mt -61.08 -32.66 72.32 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 123.588 0.555 . . . . 0.0 110.158 174.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -34.3 74.01 Favored 'General case' 0 C--N 1.382 1.994 0 C-N-CA 125.344 1.458 . . . . 0.0 112.316 175.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.35 85.35 Favored 'General case' 0 C--N 1.401 2.811 0 C-N-CA 124.948 1.299 . . . . 0.0 112.597 -178.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 60.5 mtt -65.87 -38.14 88.03 Favored 'General case' 0 C--N 1.391 2.382 0 O-C-N 124.892 1.37 . . . . 0.0 111.241 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -68.64 -38.29 80.37 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 125.378 1.471 . . . . 0.0 111.157 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -72.1 -42.33 66.26 Favored 'General case' 0 C--N 1.392 2.443 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -70.9 -41.96 70.57 Favored 'General case' 0 N--CA 1.512 2.642 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.9 -38.06 82.51 Favored 'General case' 0 N--CA 1.506 2.339 0 C-N-CA 124.743 1.217 . . . . 0.0 113.058 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.527 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 2.1 tt0 -75.77 -26.21 57.16 Favored 'General case' 0 C--N 1.383 2.063 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -72.07 -52.75 15.37 Favored 'General case' 0 C--O 1.275 2.399 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -178.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -70.09 -39.34 75.62 Favored 'General case' 0 C--N 1.391 2.38 0 CA-C-N 113.769 -1.559 . . . . 0.0 113.98 -175.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -88.78 -11.49 44.76 Favored 'General case' 0 CA--C 1.583 2.222 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -65.65 -37.16 85.74 Favored 'General case' 0 N--CA 1.525 3.308 0 C-N-CA 124.427 1.091 . . . . 0.0 112.185 177.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -73.36 -11.4 60.47 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 125.59 1.556 . . . . 0.0 111.855 177.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -97.61 -21.49 17.02 Favored 'General case' 0 CA--C 1.584 2.287 0 C-N-CA 126.204 1.802 . . . . 0.0 108.878 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 65.29 38.72 5.71 Favored 'General case' 0 N--CA 1.534 3.732 0 C-N-CA 127.994 2.518 . . . . 0.0 111.857 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.559 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -83.54 129.19 60.98 Favored Pre-proline 0 CA--C 1.57 1.713 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -175.026 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.54 -8.45 8.99 Favored 'Trans proline' 1 C--N 1.426 4.64 0 C-N-CA 124.238 3.292 . . . . 0.0 112.873 171.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 144' ' ' GLU . 0.4 OUTLIER -68.26 -15.21 63.48 Favored 'General case' 0 CA--C 1.576 1.96 0 C-N-CA 124.437 1.095 . . . . 0.0 113.069 178.414 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 138' ' ' ASP . 0.1 OUTLIER -75.05 -36.99 61.81 Favored 'General case' 0 N--CA 1.514 2.747 0 C-N-CA 123.932 0.893 . . . . 0.0 109.293 177.69 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.2 -37.13 69.32 Favored 'General case' 0 C--N 1.37 1.46 0 CA-C-N 114.268 -1.333 . . . . 0.0 111.62 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -71.56 -38.64 70.96 Favored 'General case' 0 CA--C 1.58 2.122 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 176.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 140' ' ' GLN . 17.3 mt-10 -79.47 -45.97 18.37 Favored 'General case' 0 N--CA 1.509 2.482 0 N-CA-C 114.236 1.199 . . . . 0.0 114.236 -176.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.429 ' O ' ' HB2' ' A' ' 149' ' ' ASP . 1.7 mp -67.83 -45.89 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 C-N-CA 126.504 1.921 . . . . 0.0 112.358 -178.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 93.5 m -61.75 -38.99 90.02 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 125.101 1.501 . . . . 0.0 110.723 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.94 97.04 Favored 'General case' 0 C--N 1.391 2.412 0 C-N-CA 123.868 0.867 . . . . 0.0 112.239 176.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.35 -29.65 59.98 Favored 'General case' 0 C--N 1.382 1.987 0 C-N-CA 124.987 1.315 . . . . 0.0 111.931 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 145' ' ' ILE . 0.3 OUTLIER -70.89 -33.29 70.44 Favored 'General case' 0 C--N 1.389 2.323 0 C-N-CA 126.234 1.814 . . . . 0.0 112.314 179.517 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -76.13 -33.94 59.44 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 124.166 0.986 . . . . 0.0 108.945 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -71.56 -35.14 70.51 Favored 'General case' 0 C--N 1.389 2.307 0 C-N-CA 125.609 1.563 . . . . 0.0 112.48 178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.75 -41.65 99.3 Favored 'General case' 0 C--N 1.38 1.904 0 C-N-CA 124.553 1.141 . . . . 0.0 109.95 174.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.5 p -77.15 -39.34 49.47 Favored 'General case' 0 CA--C 1.571 1.786 0 C-N-CA 123.951 0.9 . . . . 0.0 113.288 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -72.29 -33.68 67.61 Favored 'General case' 0 N--CA 1.516 2.837 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 89.2 m -72.4 -39.72 67.74 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 123.162 0.585 . . . . 0.0 110.537 178.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -60.88 -37.86 83.63 Favored 'General case' 0 C--N 1.394 2.502 0 C-N-CA 125.07 1.348 . . . . 0.0 112.757 177.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.1 m -71.88 -41.98 67.38 Favored 'General case' 0 CA--C 1.58 2.097 0 C-N-CA 125.061 1.345 . . . . 0.0 111.479 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -67.7 -39.22 84.4 Favored 'General case' 0 C--N 1.382 1.978 0 C-N-CA 125.898 1.679 . . . . 0.0 113.323 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 36.9 mt -68.32 -39.4 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.105 0 C-N-CA 126.033 1.733 . . . . 0.0 109.98 175.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.45 93.42 Favored 'General case' 0 C--N 1.39 2.365 0 C-N-CA 124.838 1.255 . . . . 0.0 113.479 176.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.79 -39.34 87.76 Favored 'General case' 0 N--CA 1.511 2.61 0 C-N-CA 125.299 1.44 . . . . 0.0 113.224 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 20.6 p -70.73 -31.63 68.54 Favored 'General case' 0 N--CA 1.512 2.645 0 C-N-CA 124.248 1.019 . . . . 0.0 112.516 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.48 -34.3 72.22 Favored 'General case' 0 N--CA 1.504 2.229 0 C-N-CA 125.33 1.452 . . . . 0.0 111.97 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.18 -36.04 80.93 Favored 'General case' 0 N--CA 1.51 2.567 0 C-N-CA 125.395 1.478 . . . . 0.0 112.247 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -68.91 -34.15 74.92 Favored 'General case' 0 C--N 1.376 1.734 0 C-N-CA 124.708 1.203 . . . . 0.0 110.726 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 6.1 mt -72.25 -31.44 65.81 Favored 'General case' 0 N--CA 1.507 2.419 0 C-N-CA 125.548 1.539 . . . . 0.0 112.08 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.74 -34.46 76.87 Favored 'General case' 0 N--CA 1.508 2.461 0 C-N-CA 126.354 1.861 . . . . 0.0 112.594 177.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -66.58 -37.08 84.18 Favored 'General case' 0 C--N 1.381 1.962 0 C-N-CA 127.654 2.382 . . . . 0.0 114.058 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -95.55 -1.06 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 CA-C-N 118.554 0.615 . . . . 0.0 111.662 -175.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . 0.258 0.8 OUTLIER 69.14 -8.55 0.68 Allowed 'General case' 0 C--N 1.387 2.211 0 C-N-CA 127.27 2.228 . . . . 0.0 111.35 -177.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 . . . . . 0 N--CA 1.506 2.37 0 CA-C-N 114.713 -1.131 . . . . 0.0 112.066 -177.253 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.8 mtt . . . . . 0 N--CA 1.499 2.017 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -114.44 131.34 56.64 Favored 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 124.261 1.025 . . . . 0.0 111.246 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p -123.5 134.48 25.27 Favored Pre-proline 0 N--CA 1.498 1.971 0 C-N-CA 123.495 0.718 . . . . 0.0 111.733 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.75 -19.96 40.57 Favored 'Trans proline' 1 C--N 1.427 4.682 0 C-N-CA 123.216 2.611 . . . . 0.0 117.726 179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mt -82.82 -33.62 27.15 Favored 'General case' 0 N--CA 1.504 2.249 0 C-N-CA 123.822 0.849 . . . . 0.0 112.242 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.67 -35.8 52.0 Favored 'General case' 0 C--N 1.373 1.629 0 C-N-CA 125.138 1.375 . . . . 0.0 112.455 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.89 -30.76 65.73 Favored 'General case' 0 C--N 1.381 1.966 0 C-N-CA 124.278 1.031 . . . . 0.0 110.447 178.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -67.63 -39.53 84.65 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 124.802 1.313 . . . . 0.0 111.766 176.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.0 m -71.39 -41.61 69.42 Favored 'General case' 0 C--N 1.386 2.153 0 C-N-CA 124.252 1.021 . . . . 0.0 110.757 176.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.15 -44.58 83.54 Favored 'General case' 0 C--N 1.389 2.286 0 O-C-N 124.359 1.037 . . . . 0.0 112.29 173.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -65.91 -39.21 90.36 Favored 'General case' 0 C--N 1.399 2.727 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -69.48 -38.35 77.65 Favored 'General case' 0 C--N 1.376 1.742 0 CA-C-O 117.617 -1.182 . . . . 0.0 110.424 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -63.04 -29.16 70.61 Favored 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 124.039 0.936 . . . . 0.0 111.916 175.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.75 -46.05 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.3 0 C-N-CA 125.553 1.541 . . . . 0.0 111.207 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.457 ' HB1' HD21 ' A' ' 86' ' ' LEU . . . -69.46 -30.28 68.15 Favored 'General case' 0 N--CA 1.506 2.365 0 C-N-CA 123.379 0.672 . . . . 0.0 111.53 176.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.32 -39.76 89.49 Favored 'General case' 0 N--CA 1.51 2.548 0 C-N-CA 126.187 1.795 . . . . 0.0 110.574 171.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.32 -34.46 68.11 Favored 'General case' 0 C--N 1.381 1.951 0 C-N-CA 124.522 1.129 . . . . 0.0 110.773 177.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -60.51 -43.55 96.95 Favored 'General case' 0 N--CA 1.503 2.191 0 C-N-CA 127.125 2.17 . . . . 0.0 111.856 178.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.1 p -78.14 -15.22 59.05 Favored 'General case' 0 N--CA 1.503 2.183 0 C-N-CA 125.124 1.37 . . . . 0.0 114.098 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -97.76 -16.42 19.88 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 125.433 1.493 . . . . 0.0 108.961 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.0 16.89 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.784 0 C-N-CA 125.977 1.711 . . . . 0.0 111.592 176.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.73 -76.58 0.29 Allowed Glycine 0 N--CA 1.497 2.719 0 CA-C-O 117.201 -1.888 . . . . 0.0 114.042 -173.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.03 -4.22 13.77 Favored 'Trans proline' 1 C--N 1.42 4.317 0 CA-C-N 121.481 2.64 . . . . 0.0 115.263 175.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mp -87.81 -6.39 58.16 Favored 'General case' 0 CA--C 1.577 1.992 0 C-N-CA 126.711 2.005 . . . . 0.0 112.605 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HB3' ' HG ' ' A' ' 46' ' ' LEU . . . -65.36 -42.8 92.39 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 178.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.3 m -94.89 -33.62 12.74 Favored 'General case' 0 C--N 1.388 2.266 0 C-N-CA 123.686 0.794 . . . . 0.0 111.748 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -115.97 129.35 56.34 Favored 'General case' 0 N--CA 1.503 2.178 0 C-N-CA 125.767 1.627 . . . . 0.0 112.3 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -88.25 121.99 31.28 Favored 'General case' 0 N--CA 1.506 2.329 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -128.09 166.7 17.94 Favored 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 125.626 1.57 . . . . 0.0 110.698 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -74.28 93.11 2.32 Favored 'General case' 0 CA--C 1.588 2.42 0 C-N-CA 124.52 1.128 . . . . 0.0 113.901 -178.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.93 120.06 37.89 Favored Pre-proline 0 C--N 1.38 1.897 0 CA-C-O 118.608 -0.71 . . . . 0.0 110.548 176.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.46 -28.45 83.67 Favored 'Trans proline' 1 C--N 1.434 5.053 0 C-N-CA 123.986 3.124 . . . . 0.0 115.889 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -108.58 25.6 11.51 Favored 'General case' 0 CA--C 1.578 2.05 0 C-N-CA 124.8 1.24 . . . . 0.0 113.203 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.19 106.29 4.33 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.76 98.05 4.86 Favored 'General case' 0 C--N 1.372 1.572 0 CA-C-O 121.97 0.891 . . . . 0.0 111.365 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -86.02 1.76 49.01 Favored 'General case' 0 N--CA 1.499 2.007 0 CA-C-N 113.611 -1.631 . . . . 0.0 113.391 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -80.3 -24.59 39.88 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.594 1.158 . . . . 0.0 111.69 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 mt -90.86 -4.19 56.77 Favored 'General case' 0 C--N 1.384 2.092 0 C-N-CA 124.858 1.263 . . . . 0.0 112.172 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -121.88 156.08 34.06 Favored 'General case' 0 C--N 1.377 1.765 0 C-N-CA 124.296 1.038 . . . . 0.0 113.268 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -123.4 113.59 19.01 Favored 'General case' 0 C--N 1.373 1.62 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.1 p -137.97 144.17 41.04 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-N 114.726 -1.125 . . . . 0.0 111.604 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 mtt180 -87.94 49.75 1.86 Allowed 'General case' 0 N--CA 1.508 2.46 0 N-CA-C 116.887 2.18 . . . . 0.0 116.887 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 124.75 -69.11 0.49 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 118.814 2.285 . . . . 0.0 118.814 169.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -176.08 60.5 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 119.25 1.525 . . . . 0.0 109.739 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -138.76 138.04 37.26 Favored 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.43 ' HG ' ' HB3' ' A' ' 25' ' ' ALA . 3.4 mp -68.32 -31.1 70.28 Favored 'General case' 0 N--CA 1.527 3.419 0 C-N-CA 124.257 1.023 . . . . 0.0 108.347 171.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.34 -35.02 87.36 Favored Glycine 0 C--N 1.383 3.168 0 C-N-CA 125.409 1.481 . . . . 0.0 113.866 176.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -79.29 -23.11 43.78 Favored 'General case' 0 C--N 1.392 2.438 0 C-N-CA 122.941 0.497 . . . . 0.0 112.243 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -81.52 -30.51 33.17 Favored 'General case' 0 C--N 1.384 2.091 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -75.66 -40.72 55.6 Favored 'General case' 0 C--N 1.373 1.617 0 C-N-CA 124.706 1.202 . . . . 0.0 112.463 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.79 -31.86 68.77 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 125.824 1.65 . . . . 0.0 112.87 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -80.5 -27.92 37.62 Favored 'General case' 0 C--N 1.374 1.666 0 C-N-CA 123.342 0.657 . . . . 0.0 109.833 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.11 -39.02 66.12 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 113.777 -1.556 . . . . 0.0 111.56 176.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -65.97 -40.3 91.13 Favored 'General case' 0 N--CA 1.509 2.477 0 C-N-CA 124.914 1.286 . . . . 0.0 111.372 175.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.12 -27.23 60.77 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 126.929 2.092 . . . . 0.0 113.668 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.53 -30.16 41.7 Favored 'General case' 0 C--N 1.381 1.975 0 C-N-CA 123.365 0.666 . . . . 0.0 110.435 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tp -71.23 -40.02 71.33 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 124.804 1.242 . . . . 0.0 110.49 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.5 p -70.96 -32.84 69.82 Favored 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 125.581 1.552 . . . . 0.0 113.992 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -75.91 -35.0 59.94 Favored 'General case' 0 N--CA 1.514 2.772 0 CA-C-N 119.306 0.957 . . . . 0.0 113.049 178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.442 HD13 HD21 ' A' ' 75' ' ' LEU . 31.7 mt -67.31 -34.58 77.66 Favored 'General case' 0 N--CA 1.511 2.624 0 C-N-CA 125.108 1.363 . . . . 0.0 111.048 176.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -62.56 -34.75 77.57 Favored 'General case' 0 C--N 1.383 2.041 0 C-N-CA 126.893 2.077 . . . . 0.0 112.074 175.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.09 -40.02 90.45 Favored 'General case' 0 C--N 1.393 2.478 0 C-N-CA 123.954 0.901 . . . . 0.0 112.135 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.85 -27.87 69.46 Favored 'General case' 0 C--N 1.395 2.556 0 C-N-CA 124.731 1.213 . . . . 0.0 113.249 173.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -65.79 -39.14 83.94 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.953 0 C-N-CA 125.598 1.559 . . . . 0.0 108.954 175.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -68.03 -16.52 64.07 Favored 'General case' 0 N--CA 1.506 2.365 0 C-N-CA 126.111 1.764 . . . . 0.0 111.731 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -78.28 -39.96 38.43 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 171.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.17 27.36 4.54 Favored Glycine 0 C--N 1.38 3.017 0 N-CA-C 116.09 1.196 . . . . 0.0 116.09 170.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.74 113.9 23.85 Favored 'General case' 0 C--N 1.377 1.78 0 CA-C-N 118.22 1.01 . . . . 0.0 110.259 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.51 -29.36 65.84 Favored 'General case' 0 N--CA 1.502 2.151 0 CA-C-N 112.758 -2.019 . . . . 0.0 112.863 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.2 m -70.61 -37.48 73.84 Favored 'General case' 0 CA--C 1.574 1.89 0 C-N-CA 124.816 1.246 . . . . 0.0 110.569 176.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -74.58 -20.98 59.72 Favored 'General case' 0 N--CA 1.507 2.409 0 C-N-CA 124.31 1.044 . . . . 0.0 111.876 178.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.5 t -77.42 -50.93 19.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 125.546 1.538 . . . . 0.0 109.869 179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.42 82.16 Favored 'General case' 0 C--N 1.393 2.465 0 C-N-CA 127.545 2.338 . . . . 0.0 112.985 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -62.46 -42.31 99.38 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 125.564 1.546 . . . . 0.0 109.246 172.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.442 HD21 HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.49 -31.68 63.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 124.424 1.077 . . . . 0.0 112.034 176.583 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.77 -41.71 95.66 Favored 'General case' 0 N--CA 1.511 2.579 0 C-N-CA 124.603 1.161 . . . . 0.0 111.687 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -71.6 -36.83 70.96 Favored 'General case' 0 N--CA 1.518 2.943 0 C-N-CA 126.308 1.843 . . . . 0.0 111.095 176.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -71.22 -29.31 64.97 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 125.721 1.608 . . . . 0.0 110.359 173.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.77 -43.09 66.33 Favored 'General case' 0 C--N 1.377 1.795 0 C-N-CA 124.123 0.969 . . . . 0.0 111.606 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 83' ' ' ILE . . . -68.51 -39.83 81.09 Favored 'General case' 0 C--N 1.389 2.299 0 C-N-CA 125.328 1.451 . . . . 0.0 112.216 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.48 83.53 Favored 'General case' 0 C--N 1.39 2.327 0 C-N-CA 126.006 1.722 . . . . 0.0 111.639 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -73.74 -27.02 60.96 Favored 'General case' 0 C--N 1.377 1.78 0 C-N-CA 124.234 1.014 . . . . 0.0 112.285 176.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.554 ' O ' ' HB2' ' A' ' 87' ' ' GLN . 34.8 mt -63.1 -45.59 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.398 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 175.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.43 -44.4 83.01 Favored 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 124.872 1.269 . . . . 0.0 112.196 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.42 -44.96 57.21 Favored 'General case' 0 C--N 1.379 1.864 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -177.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.457 HD21 ' HB1' ' A' ' 15' ' ' ALA . 91.1 mt -85.18 -45.45 12.02 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -175.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.554 ' HB2' ' O ' ' A' ' 83' ' ' ILE . 28.8 mt-30 -64.75 -36.52 84.58 Favored 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 118.816 0.734 . . . . 0.0 112.38 179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -78.41 -39.93 37.43 Favored 'General case' 0 CA--C 1.589 2.466 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -76.92 -29.25 55.6 Favored 'General case' 0 N--CA 1.514 2.75 0 CA-C-N 119.548 1.067 . . . . 0.0 109.686 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -78.18 -22.92 47.93 Favored 'General case' 0 C--N 1.387 2.202 0 C-N-CA 125.614 1.566 . . . . 0.0 110.432 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.34 97.12 Favored 'General case' 0 C--N 1.415 3.414 0 C-N-CA 122.99 0.516 . . . . 0.0 112.356 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.8 p -75.93 -28.89 58.15 Favored 'General case' 0 C--N 1.395 2.575 0 C-N-CA 124.436 1.094 . . . . 0.0 111.175 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.0 -36.06 72.11 Favored 'General case' 0 N--CA 1.512 2.647 0 C-N-CA 124.612 1.165 . . . . 0.0 113.637 174.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.8 p -75.9 -9.73 58.84 Favored 'General case' 0 N--CA 1.525 3.309 0 C-N-CA 124.266 1.026 . . . . 0.0 112.175 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 98' ' ' HIS . 7.1 tt -95.76 -23.42 16.96 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 127.474 2.309 . . . . 0.0 108.532 176.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -79.25 37.68 0.33 Allowed 'General case' 0 C--N 1.379 1.865 0 CA-C-O 123.505 1.621 . . . . 0.0 112.391 -179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.404 ' H ' ' C ' ' A' ' 95' ' ' LEU . 75.7 mtt180 -107.4 12.06 28.37 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 128.214 2.605 . . . . 0.0 105.252 174.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' A' ' 95' ' ' LEU 0.282 3.1 t60 -94.64 -13.16 26.14 Favored 'General case' 0 C--N 1.368 1.392 0 CA-C-N 108.829 -3.805 . . . . 0.0 107.274 178.352 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' OE1' ' HB3' ' A' ' 101' ' ' ALA . 5.0 mt-10 -90.48 -179.7 5.64 Favored 'General case' 0 C--N 1.377 1.786 0 CA-C-N 110.114 -3.221 . . . . 0.0 117.354 -171.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.97 -39.05 3.29 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 128.219 2.608 . . . . 0.0 108.647 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.414 ' HB3' ' OE1' ' A' ' 99' ' ' GLU . . . -76.04 -27.39 57.29 Favored 'General case' 0 CA--C 1.572 1.821 0 C-N-CA 129.062 2.945 . . . . 0.0 116.819 -176.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -85.26 -47.18 10.32 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 118.714 2.857 . . . . 0.0 118.714 -172.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.7 mt -74.15 -23.04 0.5 Allowed Pre-proline 0 CA--C 1.589 2.477 0 N-CA-C 118.174 2.657 . . . . 0.0 118.174 -175.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . 0.281 31.3 Cg_endo -57.23 -12.56 10.48 Favored 'Trans proline' 1 C--N 1.451 5.962 1 N-CA-C 122.795 4.114 . . . . 0.0 122.795 -174.776 . . . . . . . . 4 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -89.17 -9.65 67.14 Favored Glycine 0 CA--C 1.541 1.662 0 CA-C-N 122.029 2.195 . . . . 0.0 112.987 174.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.36 -94.85 1.45 Allowed Glycine 0 C--N 1.393 3.696 0 N-CA-C 115.399 0.919 . . . . 0.0 115.399 174.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -101.23 41.44 1.19 Allowed 'General case' 0 CA--C 1.561 1.403 0 O-C-N 125.238 1.199 . . . . 0.0 112.134 -178.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.8 mt -71.14 -41.49 70.38 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 124.18 0.992 . . . . 0.0 110.192 177.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -66.16 -41.72 89.98 Favored 'General case' 0 C--N 1.373 1.607 0 C-N-CA 127.982 2.513 . . . . 0.0 110.77 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.11 -35.5 78.25 Favored 'General case' 0 C--N 1.382 2.019 0 C-N-CA 125.009 1.324 . . . . 0.0 112.431 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -72.16 -48.28 44.54 Favored 'General case' 0 C--N 1.373 1.59 0 C-N-CA 123.479 0.712 . . . . 0.0 111.42 176.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.2 mp -64.53 -58.86 5.21 Favored 'General case' 0 CA--C 1.588 2.421 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.28 -43.82 63.69 Favored 'General case' 0 N--CA 1.504 2.262 0 N-CA-C 117.264 2.32 . . . . 0.0 117.264 -177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.84 -38.23 73.2 Favored 'General case' 0 N--CA 1.512 2.629 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -68.69 -39.43 80.56 Favored 'General case' 0 C--N 1.387 2.205 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.96 -42.67 84.78 Favored 'General case' 0 N--CA 1.506 2.36 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -71.71 -43.07 66.57 Favored 'General case' 0 N--CA 1.519 3.001 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -69.17 -36.95 77.92 Favored 'General case' 0 N--CA 1.506 2.368 0 C-N-CA 124.302 1.041 . . . . 0.0 113.687 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.64 -35.35 75.15 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.52 1.128 . . . . 0.0 112.648 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -62.96 -43.77 97.89 Favored 'General case' 0 N--CA 1.513 2.721 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -72.91 -39.96 65.9 Favored 'General case' 0 N--CA 1.514 2.738 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.62 -32.81 70.76 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 123.454 0.471 . . . . 0.0 110.565 173.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.9 mt -70.95 -33.01 70.06 Favored 'General case' 0 C--N 1.378 1.845 0 C-N-CA 124.557 1.143 . . . . 0.0 113.075 176.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.4 -38.92 91.39 Favored 'General case' 0 C--N 1.406 3.054 0 C-N-CA 125.591 1.557 . . . . 0.0 111.825 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 62.3 mtt -63.77 -39.63 94.72 Favored 'General case' 0 C--N 1.39 2.357 0 O-C-N 125.077 1.486 . . . . 0.0 110.422 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.21 -39.35 86.29 Favored 'General case' 0 C--N 1.39 2.341 0 C-N-CA 124.772 1.229 . . . . 0.0 110.553 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -66.69 -40.69 88.61 Favored 'General case' 0 N--CA 1.517 2.914 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.33 -40.09 85.87 Favored 'General case' 0 N--CA 1.51 2.574 0 C-N-CA 124.057 0.943 . . . . 0.0 111.811 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -71.31 -29.48 65.08 Favored 'General case' 0 C--N 1.384 2.101 0 C-N-CA 124.501 1.12 . . . . 0.0 111.909 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 21.2 mt-10 -63.54 -44.93 92.79 Favored 'General case' 0 N--CA 1.507 2.411 0 C-N-CA 125.484 1.514 . . . . 0.0 113.711 177.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -74.18 -44.46 53.37 Favored 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.89 -39.88 72.54 Favored 'General case' 0 C--N 1.389 2.315 0 CA-C-N 114.258 -1.337 . . . . 0.0 114.574 -173.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -90.29 -12.08 38.89 Favored 'General case' 0 CA--C 1.582 2.176 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 130' ' ' GLU . . . -63.98 -39.76 94.87 Favored 'General case' 0 N--CA 1.52 3.052 0 C-N-CA 125.891 1.676 . . . . 0.0 113.646 175.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -83.05 -15.42 51.05 Favored 'General case' 0 N--CA 1.511 2.585 0 C-N-CA 126.402 1.881 . . . . 0.0 114.141 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -93.66 -17.35 23.34 Favored 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 125.75 1.62 . . . . 0.0 110.133 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.6 t60 61.84 82.71 0.17 Allowed 'General case' 0 C--N 1.397 2.634 0 C-N-CA 126.29 1.836 . . . . 0.0 107.107 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.17 120.35 28.29 Favored Pre-proline 0 CA--C 1.556 1.188 0 N-CA-C 118.076 2.621 . . . . 0.0 118.076 -172.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -67.63 -10.53 29.07 Favored 'Trans proline' 1 C--N 1.426 4.644 0 C-N-CA 123.219 2.612 . . . . 0.0 110.941 167.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -62.68 -31.29 72.16 Favored 'General case' 0 C--N 1.392 2.442 0 C-N-CA 124.482 1.113 . . . . 0.0 111.282 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.55 -38.72 78.42 Favored 'General case' 0 N--CA 1.526 3.369 0 C-N-CA 126.22 1.808 . . . . 0.0 112.329 176.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -72.55 -39.65 67.3 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 113.093 -1.867 . . . . 0.0 110.765 -176.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -72.76 -39.93 66.42 Favored 'General case' 0 CA--C 1.581 2.141 0 C-N-CA 123.671 0.788 . . . . 0.0 112.924 175.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -77.94 -47.09 19.41 Favored 'General case' 0 N--CA 1.513 2.683 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 50.1 mt -69.43 -39.33 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.695 0 C-N-CA 124.855 1.262 . . . . 0.0 110.252 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 99.6 m -63.45 -39.59 94.89 Favored 'General case' 0 N--CA 1.508 2.464 0 C-N-CA 124.21 1.004 . . . . 0.0 110.675 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.57 95.77 Favored 'General case' 0 N--CA 1.51 2.54 0 C-N-CA 124.619 1.167 . . . . 0.0 112.62 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.93 -26.41 56.87 Favored 'General case' 0 C--N 1.38 1.905 0 C-N-CA 124.673 1.189 . . . . 0.0 111.7 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -32.81 73.78 Favored 'General case' 0 C--N 1.39 2.331 0 C-N-CA 126.431 1.892 . . . . 0.0 111.512 177.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -76.59 -35.87 57.87 Favored 'General case' 0 C--N 1.393 2.465 0 C-N-CA 124.771 1.229 . . . . 0.0 109.322 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -71.68 -32.8 68.25 Favored 'General case' 0 C--N 1.387 2.231 0 C-N-CA 125.433 1.493 . . . . 0.0 112.703 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -39.3 90.35 Favored 'General case' 0 C--N 1.383 2.053 0 C-N-CA 124.782 1.233 . . . . 0.0 109.554 174.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 1.6 p -77.3 -36.73 53.88 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 123.619 0.767 . . . . 0.0 112.833 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -73.99 -30.35 62.43 Favored 'General case' 0 N--CA 1.518 2.957 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.32 -37.93 68.8 Favored 'General case' 0 C--N 1.386 2.18 0 C-N-CA 123.931 0.893 . . . . 0.0 108.91 177.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -60.26 -39.34 86.44 Favored 'General case' 0 C--N 1.389 2.323 0 C-N-CA 125.926 1.691 . . . . 0.0 113.949 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 33.0 m -64.36 -39.22 93.46 Favored 'General case' 0 C--N 1.384 2.091 0 C-N-CA 126.056 1.742 . . . . 0.0 109.551 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -69.23 -37.87 78.24 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 125.651 1.58 . . . . 0.0 111.924 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 39.2 mt -69.26 -45.25 79.64 Favored 'Isoleucine or valine' 0 CA--C 1.577 1.983 0 C-N-CA 125.945 1.698 . . . . 0.0 109.788 175.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.99 94.01 Favored 'General case' 0 C--N 1.394 2.523 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 176.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.05 -38.52 82.56 Favored 'General case' 0 N--CA 1.516 2.837 0 C-N-CA 124.804 1.242 . . . . 0.0 113.723 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 11.2 p -70.61 -31.38 68.34 Favored 'General case' 0 N--CA 1.512 2.644 0 C-N-CA 124.373 1.069 . . . . 0.0 112.353 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.29 -35.82 76.42 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 125.224 1.41 . . . . 0.0 111.771 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.25 -35.37 79.39 Favored 'General case' 0 N--CA 1.513 2.696 0 C-N-CA 125.462 1.505 . . . . 0.0 112.629 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -69.03 -32.21 71.57 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 124.856 1.262 . . . . 0.0 111.002 175.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 8.4 mt -76.89 -27.51 55.02 Favored 'General case' 0 C--N 1.382 1.99 0 C-N-CA 125.777 1.631 . . . . 0.0 111.961 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -70.42 -44.1 68.61 Favored 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 116.445 2.017 . . . . 0.0 116.445 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -92.53 -68.03 0.82 Allowed 'General case' 0 C--N 1.386 2.172 0 CA-C-N 118.832 0.742 . . . . 0.0 112.276 -175.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . 0.374 0.1 OUTLIER 78.55 -23.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.39 2.363 0 C-N-CA 125.695 1.598 . . . . 0.0 113.168 174.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' THR . . . . . . . . . . . . . 13.6 t -89.69 -15.57 32.31 Favored 'General case' 0 CA--C 1.574 1.871 0 C-N-CA 125.002 1.321 . . . . 0.0 109.855 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 . . . . . 0 N--CA 1.498 1.973 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.388 179.215 . . . . . . . . 0 0 . 1 stop_ save_